Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c29d' (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/6275742-fedora-39-ppc64le --chroot fedora-39-ppc64le Version: 0.68 PID: 5711 Logging PID: 5712 Task: {'appstream': False, 'background': True, 'build_id': 6275742, 'buildroot_pkgs': [], 'chroot': 'fedora-39-ppc64le', 'enable_net': False, 'fedora_review': False, 'git_hash': 'e127810d92043241d345d96980df4b3291e8fab9', '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': '6.6.1-1', 'project_dirname': 'openblas-0.3.23', 'project_name': 'openblas-0.3.23', 'project_owner': 'psimovec', 'repos': [{'baseurl': 'https://download.copr.fedorainfracloud.org/results/psimovec/openblas-0.3.23/fedora-39-ppc64le/', 'id': 'copr_base', 'name': 'Copr repository'}, {'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, 'submitter': 'https://src.fedoraproject.org/user/jussilehtola', 'tags': [], 'task_id': '6275742-fedora-39-ppc64le', 'timeout': 18000, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/xtb /var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/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-4xxr5rtx/xtb', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/xtb'... Running: git checkout e127810d92043241d345d96980df4b3291e8fab9 -- cmd: ['git', 'checkout', 'e127810d92043241d345d96980df4b3291e8fab9', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/xtb rc: 0 stdout: stderr: Note: switching to 'e127810d92043241d345d96980df4b3291e8fab9'. 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 e127810 automatic import of xtb Running: copr-distgit-client sources cmd: ['copr-distgit-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/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-6.6.1.tar.gz /usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated INFO: Calling: curl -H Pragma: -o xtb-6.6.1.tar.gz --location --remote-time --show-error --fail https://copr-dist-git.fedorainfracloud.org/repo/pkgs/psimovec/openblas-0.3.23/xtb/xtb-6.6.1.tar.gz/md5/76694865f29cc57e63c293f6ba48cfea/xtb-6.6.1.tar.gz % Total % Received % Xferd Average Speed Time Time Time Current Dload Upload Total Spent Left Speed 100 1446k 100 1446k 0 0 5505k 0 --:--:-- --:--:-- --:--:-- 5519k INFO: Reading stdout from command: md5sum xtb-6.6.1.tar.gz Running (timeout=18000): unbuffer mock --buildsrpm --spec /var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/xtb/xtb.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/xtb --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1692102054.535910 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 5.0 starting (python version = 3.11.3, NVR = mock-5.0-1.fc38)... Start(bootstrap): init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish(bootstrap): init plugins Start: init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish: init plugins INFO: Signal handler active Start: run INFO: Start(/var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/xtb/xtb.spec) Config(fedora-39-ppc64le) Start: clean chroot Finish: clean chroot Mock Version: 5.0 INFO: Mock Version: 5.0 Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-39-ppc64le-bootstrap-1692102054.535910/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: Using bootstrap image: registry.fedoraproject.org/fedora:39 INFO: Pulling image: registry.fedoraproject.org/fedora:39 INFO: Copy content of container registry.fedoraproject.org/fedora:39 to /var/lib/mock/fedora-39-ppc64le-bootstrap-1692102054.535910/root INFO: mounting registry.fedoraproject.org/fedora:39 with podman image mount INFO: image registry.fedoraproject.org/fedora:39 as /var/lib/containers/storage/overlay/d58628c261eb67c15fac78028e3d30ec5b784e9ddf4cf40016be374d1576ebcf/merged INFO: umounting image registry.fedoraproject.org/fedora:39 (/var/lib/containers/storage/overlay/d58628c261eb67c15fac78028e3d30ec5b784e9ddf4cf40016be374d1576ebcf/merged) with podman image umount INFO: Package manager dnf detected and used (fallback) INFO: Bootstrap image not marked ready Start(bootstrap): installing dnf tooling No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 40 MB/s | 13 MB 00:00 Additional repo http_kojipkgs_fedoraproject_org 43 MB/s | 67 MB 00:01 fedora 13 MB/s | 83 MB 00:06 updates 758 B/s | 257 B 00:00 Last metadata expiration check: 0:00:01 ago on Tue Aug 15 12:22:14 2023. Package python3-dnf-4.16.2-2.fc39.noarch is already installed. Dependencies resolved. ========================================================================================================================= Package Arch Version Repository Size ========================================================================================================================= Installing: python3-dnf-plugins-core noarch 4.4.2-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 278 k Installing dependencies: dbus-libs ppc64le 1:1.14.8-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 177 k python3-dateutil noarch 1:2.8.2-10.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 344 k python3-dbus ppc64le 1.3.2-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 150 k python3-distro noarch 1.8.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 44 k python3-six noarch 1.16.0-12.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41 k python3-systemd ppc64le 235-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 102 k Transaction Summary ========================================================================================================================= Install 7 Packages Total download size: 1.1 M Installed size: 4.8 M Downloading Packages: (1/7): dbus-libs-1.14.8-2.fc39.ppc64le.rpm 1.7 MB/s | 177 kB 00:00 (2/7): python3-dbus-1.3.2-4.fc39.ppc64le.rpm 1.4 MB/s | 150 kB 00:00 (3/7): python3-distro-1.8.0-6.fc39.noarch.rpm 2.2 MB/s | 44 kB 00:00 (4/7): python3-dateutil-2.8.2-10.fc39.noarch.rp 2.7 MB/s | 344 kB 00:00 (5/7): python3-dnf-plugins-core-4.4.2-1.fc39.no 9.2 MB/s | 278 kB 00:00 (6/7): python3-six-1.16.0-12.fc39.noarch.rpm 2.0 MB/s | 41 kB 00:00 (7/7): python3-systemd-235-5.fc39.ppc64le.rpm 4.6 MB/s | 102 kB 00:00 -------------------------------------------------------------------------------- Total 7.4 MB/s | 1.1 MB 00:00 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : python3-systemd-235-5.fc39.ppc64le 1/7 Installing : python3-six-1.16.0-12.fc39.noarch 2/7 Installing : python3-dateutil-1:2.8.2-10.fc39.noarch 3/7 Installing : python3-distro-1.8.0-6.fc39.noarch 4/7 Installing : dbus-libs-1:1.14.8-2.fc39.ppc64le 5/7 Installing : python3-dbus-1.3.2-4.fc39.ppc64le 6/7 Installing : python3-dnf-plugins-core-4.4.2-1.fc39.noarch 7/7 Running scriptlet: python3-dnf-plugins-core-4.4.2-1.fc39.noarch 7/7 Verifying : dbus-libs-1:1.14.8-2.fc39.ppc64le 1/7 Verifying : python3-dateutil-1:2.8.2-10.fc39.noarch 2/7 Verifying : python3-dbus-1.3.2-4.fc39.ppc64le 3/7 Verifying : python3-distro-1.8.0-6.fc39.noarch 4/7 Verifying : python3-dnf-plugins-core-4.4.2-1.fc39.noarch 5/7 Verifying : python3-six-1.16.0-12.fc39.noarch 6/7 Verifying : python3-systemd-235-5.fc39.ppc64le 7/7 Installed: dbus-libs-1:1.14.8-2.fc39.ppc64le python3-dateutil-1:2.8.2-10.fc39.noarch python3-dbus-1.3.2-4.fc39.ppc64le python3-distro-1.8.0-6.fc39.noarch python3-dnf-plugins-core-4.4.2-1.fc39.noarch python3-six-1.16.0-12.fc39.noarch python3-systemd-235-5.fc39.ppc64le Complete! Finish(bootstrap): installing dnf tooling Start(bootstrap): creating root cache Finish(bootstrap): creating root cache Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-39-ppc64le-1692102054.535910/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin INFO: Package manager dnf detected and used (direct choice) Start: installing minimal buildroot with dnf No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 25 MB/s | 13 MB 00:00 Additional repo http_kojipkgs_fedoraproject_org 57 MB/s | 67 MB 00:01 fedora 12 MB/s | 83 MB 00:07 updates 674 B/s | 257 B 00:00 Dependencies resolved. ========================================================================================================================================= Package Arch Version Repository Size ========================================================================================================================================= Installing group/module packages: bash ppc64le 5.2.15-5.fc39 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http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 43 k xz ppc64le 5.4.4-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 534 k Installing dependencies: alternatives ppc64le 1.25-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41 k ansible-srpm-macros noarch 1-11.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 21 k audit-libs ppc64le 3.1.2-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 132 k authselect ppc64le 1.4.2-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 140 k authselect-libs ppc64le 1.4.2-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 240 k basesystem noarch 11-18.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.2 k binutils ppc64le 2.40-13.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.4 M binutils-gold ppc64le 2.40-13.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 M bzip2-libs ppc64le 1.0.8-16.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 47 k ca-certificates noarch 2023.2.60_v7.0.306-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 837 k coreutils-common ppc64le 9.3-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.1 M cracklib ppc64le 2.9.11-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 85 k crypto-policies noarch 20230731-1.git5ed06e0.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 68 k curl ppc64le 8.2.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 348 k cyrus-sasl-lib ppc64le 2.1.28-11.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 877 k debugedit ppc64le 5.0-10.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 80 k dwz ppc64le 0.15-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 147 k ed ppc64le 1.19-4.fc39 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2023c-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 433 k util-linux-core ppc64le 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 520 k xxhash-libs ppc64le 0.8.2-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 37 k xz-libs ppc64le 5.4.4-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 121 k zip ppc64le 3.0-38.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 274 k zlib ppc64le 1.2.13-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 100 k zstd ppc64le 1.5.5-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 499 k Installing Groups: Buildsystem building group Transaction Summary ========================================================================================================================================= Install 154 Packages Total download size: 56 M Installed size: 328 M Downloading Packages: (1/154): 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190 kB/s | 7.8 kB 00:00 (45/154): glibc-2.38-1.fc39.ppc64le.rpm 60 MB/s | 2.2 MB 00:00 (46/154): gawk-5.2.2-2.fc39.ppc64le.rpm 15 MB/s | 1.1 MB 00:00 (47/154): glibc-common-2.38-1.fc39.ppc64le.rpm 15 MB/s | 357 kB 00:00 (48/154): gmp-6.2.1-5.fc39.ppc64le.rpm 14 MB/s | 304 kB 00:00 (49/154): gnat-srpm-macros-6-3.fc39.noarch.rpm 507 kB/s | 8.8 kB 00:00 (50/154): glibc-minimal-langpack-2.38-1.fc39.pp 1.3 MB/s | 67 kB 00:00 (51/154): go-srpm-macros-3.2.0-6.fc39.noarch.rp 1.5 MB/s | 27 kB 00:00 (52/154): glibc-gconv-extra-2.38-1.fc39.ppc64le 23 MB/s | 2.0 MB 00:00 (53/154): gzip-1.12-6.fc39.ppc64le.rpm 6.6 MB/s | 163 kB 00:00 (54/154): jansson-2.13.1-7.fc39.ppc64le.rpm 2.7 MB/s | 49 kB 00:00 (55/154): info-7.0.3-3.fc39.ppc64le.rpm 4.3 MB/s | 200 kB 00:00 (56/154): grep-3.11-5.fc40.ppc64le.rpm 3.8 MB/s | 297 kB 00:00 (57/154): kernel-srpm-macros-1.0-20.fc39.noarch 558 kB/s | 10 kB 00:00 (58/154): keyutils-libs-1.6.1-7.fc39.ppc64le.rp 1.8 MB/s | 32 kB 00:00 (59/154): 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MB/s | 73 kB 00:00 (89/154): libssh-0.10.5-2.fc39.ppc64le.rpm 12 MB/s | 238 kB 00:00 (90/154): libssh-config-0.10.5-2.fc39.noarch.rp 444 kB/s | 9.2 kB 00:00 (91/154): libstdc++-13.2.1-1.fc39.ppc64le.rpm 37 MB/s | 994 kB 00:00 (92/154): libtasn1-4.19.0-3.fc39.ppc64le.rpm 3.2 MB/s | 80 kB 00:00 (93/154): libtirpc-1.3.3-1.rc2.fc39.ppc64le.rpm 4.5 MB/s | 108 kB 00:00 (94/154): libunistring-1.1-4.fc39.ppc64le.rpm 25 MB/s | 577 kB 00:00 (95/154): libutempter-1.2.1-10.fc39.ppc64le.rpm 1.2 MB/s | 27 kB 00:00 (96/154): libuuid-2.39.1-3.fc39.ppc64le.rpm 1.4 MB/s | 30 kB 00:00 (97/154): libverto-0.3.2-6.fc39.ppc64le.rpm 1.1 MB/s | 22 kB 00:00 (98/154): libxcrypt-4.4.36-2.fc39.ppc64le.rpm 5.8 MB/s | 132 kB 00:00 (99/154): libxml2-2.10.4-3.fc39.ppc64le.rpm 24 MB/s | 780 kB 00:00 (100/154): libzstd-1.5.5-4.fc39.ppc64le.rpm 14 MB/s | 336 kB 00:00 (101/154): lua-libs-5.4.6-3.fc39.ppc64le.rpm 5.3 MB/s | 149 kB 00:00 (102/154): lua-srpm-macros-1-9.fc39.noarch.rpm 503 kB/s | 8.6 kB 00:00 (103/154): lz4-libs-1.9.4-4.fc39.ppc64le.rpm 3.8 MB/s | 85 kB 00:00 (104/154): mpfr-4.2.0-3.fc39.ppc64le.rpm 17 MB/s | 353 kB 00:00 (105/154): ncurses-base-6.4-6.20230520.fc39.noa 2.9 MB/s | 63 kB 00:00 (106/154): ncurses-libs-6.4-6.20230520.fc39.ppc 18 MB/s | 380 kB 00:00 (107/154): ocaml-srpm-macros-8-2.fc39.noarch.rp 657 kB/s | 14 kB 00:00 (108/154): openblas-srpm-macros-2-14.fc39.noarc 403 kB/s | 7.5 kB 00:00 (109/154): openldap-2.6.6-1.fc39.ppc64le.rpm 12 MB/s | 287 kB 00:00 (110/154): p11-kit-0.25.0-2.fc39.ppc64le.rpm 17 MB/s | 486 kB 00:00 (111/154): openssl-libs-3.1.1-1.fc39.ppc64le.rp 53 MB/s | 2.3 MB 00:00 (112/154): p11-kit-trust-0.25.0-2.fc39.ppc64le. 5.3 MB/s | 156 kB 00:00 (113/154): package-notes-srpm-macros-0.5-9.fc39 522 kB/s | 11 kB 00:00 (114/154): pam-libs-1.5.3-2.fc39.ppc64le.rpm 3.2 MB/s | 64 kB 00:00 (115/154): pam-1.5.3-2.fc39.ppc64le.rpm 20 MB/s | 555 kB 00:00 (116/154): patch-2.7.6-22.fc39.ppc64le.rpm 6.5 MB/s | 137 kB 00:00 (117/154): pcre2-10.42-1.fc39.2.ppc64le.rpm 12 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Running transaction test Transaction test succeeded. 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basesystem-11-18.fc39.noarch 7/154 Verifying : bash-5.2.15-5.fc39.ppc64le 8/154 Verifying : binutils-2.40-13.fc39.ppc64le 9/154 Verifying : binutils-gold-2.40-13.fc39.ppc64le 10/154 Verifying : bzip2-1.0.8-16.fc39.ppc64le 11/154 Verifying : bzip2-libs-1.0.8-16.fc39.ppc64le 12/154 Verifying : ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch 13/154 Verifying : coreutils-9.3-2.fc39.ppc64le 14/154 Verifying : coreutils-common-9.3-2.fc39.ppc64le 15/154 Verifying : cpio-2.14-4.fc39.ppc64le 16/154 Verifying : cracklib-2.9.11-2.fc39.ppc64le 17/154 Verifying : crypto-policies-20230731-1.git5ed06e0.fc39.noarc 18/154 Verifying : curl-8.2.1-2.fc40.ppc64le 19/154 Verifying : cyrus-sasl-lib-2.1.28-11.fc39.ppc64le 20/154 Verifying : debugedit-5.0-10.fc39.ppc64le 21/154 Verifying : diffutils-3.10-3.fc39.ppc64le 22/154 Verifying : dwz-0.15-3.fc39.ppc64le 23/154 Verifying : ed-1.19-4.fc39.ppc64le 24/154 Verifying : efi-srpm-macros-5-9.fc39.noarch 25/154 Verifying : elfutils-0.189-4.fc39.ppc64le 26/154 Verifying : elfutils-debuginfod-client-0.189-4.fc39.ppc64le 27/154 Verifying : elfutils-default-yama-scope-0.189-4.fc39.noarch 28/154 Verifying : elfutils-libelf-0.189-4.fc39.ppc64le 29/154 Verifying : elfutils-libs-0.189-4.fc39.ppc64le 30/154 Verifying : fedora-gpg-keys-40-0.1.noarch 31/154 Verifying : fedora-release-40-0.2.noarch 32/154 Verifying : fedora-release-common-40-0.2.noarch 33/154 Verifying : fedora-release-identity-basic-40-0.2.noarch 34/154 Verifying : fedora-repos-40-0.1.noarch 35/154 Verifying : fedora-repos-rawhide-40-0.1.noarch 36/154 Verifying : file-5.45-1.fc40.ppc64le 37/154 Verifying : file-libs-5.45-1.fc40.ppc64le 38/154 Verifying : filesystem-3.18-6.fc39.ppc64le 39/154 Verifying : findutils-1:4.9.0-5.fc39.ppc64le 40/154 Verifying : fonts-srpm-macros-1:2.0.5-12.fc39.noarch 41/154 Verifying : fpc-srpm-macros-1.3-8.fc39.noarch 42/154 Verifying : gawk-5.2.2-2.fc39.ppc64le 43/154 Verifying : gdbm-libs-1:1.23-4.fc39.ppc64le 44/154 Verifying : ghc-srpm-macros-1.6.1-2.fc39.noarch 45/154 Verifying : glibc-2.38-1.fc39.ppc64le 46/154 Verifying : glibc-common-2.38-1.fc39.ppc64le 47/154 Verifying : glibc-gconv-extra-2.38-1.fc39.ppc64le 48/154 Verifying : glibc-minimal-langpack-2.38-1.fc39.ppc64le 49/154 Verifying : gmp-1:6.2.1-5.fc39.ppc64le 50/154 Verifying : gnat-srpm-macros-6-3.fc39.noarch 51/154 Verifying : go-srpm-macros-3.2.0-6.fc39.noarch 52/154 Verifying : grep-3.11-5.fc40.ppc64le 53/154 Verifying : gzip-1.12-6.fc39.ppc64le 54/154 Verifying : info-7.0.3-3.fc39.ppc64le 55/154 Verifying : jansson-2.13.1-7.fc39.ppc64le 56/154 Verifying : kernel-srpm-macros-1.0-20.fc39.noarch 57/154 Verifying : keyutils-libs-1.6.1-7.fc39.ppc64le 58/154 Verifying : krb5-libs-1.21-3.fc39.ppc64le 59/154 Verifying : libacl-2.3.1-8.fc39.ppc64le 60/154 Verifying : libarchive-3.7.1-1.fc39.ppc64le 61/154 Verifying : libattr-2.5.1-8.fc39.ppc64le 62/154 Verifying : libblkid-2.39.1-3.fc39.ppc64le 63/154 Verifying : libbrotli-1.0.9-13.fc39.ppc64le 64/154 Verifying : libcap-2.48-7.fc39.ppc64le 65/154 Verifying : libcap-ng-0.8.3-7.fc39.ppc64le 66/154 Verifying : libcom_err-1.47.0-2.fc39.ppc64le 67/154 Verifying : libcurl-8.2.1-2.fc40.ppc64le 68/154 Verifying : libdb-5.3.28-56.fc39.ppc64le 69/154 Verifying : libeconf-0.4.0-6.fc39.ppc64le 70/154 Verifying : libevent-2.1.12-9.fc39.ppc64le 71/154 Verifying : libfdisk-2.39.1-3.fc39.ppc64le 72/154 Verifying : libffi-3.4.4-4.fc39.ppc64le 73/154 Verifying : libgcc-13.2.1-1.fc39.ppc64le 74/154 Verifying : libgomp-13.2.1-1.fc39.ppc64le 75/154 Verifying : libidn2-2.3.4-3.fc39.ppc64le 76/154 Verifying : libmount-2.39.1-3.fc39.ppc64le 77/154 Verifying : libnghttp2-1.55.1-2.fc39.ppc64le 78/154 Verifying : libnsl2-2.0.0-6.fc39.ppc64le 79/154 Verifying : libpkgconf-1.9.5-2.fc39.ppc64le 80/154 Verifying : libpsl-0.21.2-4.fc39.ppc64le 81/154 Verifying : libpwquality-1.4.5-6.fc39.ppc64le 82/154 Verifying : librtas-2.0.4-3.fc39.ppc64le 83/154 Verifying : libselinux-3.5-5.fc39.ppc64le 84/154 Verifying : libsemanage-3.5-4.fc39.ppc64le 85/154 Verifying : libsepol-3.5-2.fc39.ppc64le 86/154 Verifying : libsigsegv-2.14-5.fc39.ppc64le 87/154 Verifying : libsmartcols-2.39.1-3.fc39.ppc64le 88/154 Verifying : libssh-0.10.5-2.fc39.ppc64le 89/154 Verifying : libssh-config-0.10.5-2.fc39.noarch 90/154 Verifying : libstdc++-13.2.1-1.fc39.ppc64le 91/154 Verifying : libtasn1-4.19.0-3.fc39.ppc64le 92/154 Verifying : libtirpc-1.3.3-1.rc2.fc39.ppc64le 93/154 Verifying : libunistring-1.1-4.fc39.ppc64le 94/154 Verifying : libutempter-1.2.1-10.fc39.ppc64le 95/154 Verifying : libuuid-2.39.1-3.fc39.ppc64le 96/154 Verifying : libverto-0.3.2-6.fc39.ppc64le 97/154 Verifying : libxcrypt-4.4.36-2.fc39.ppc64le 98/154 Verifying : libxml2-2.10.4-3.fc39.ppc64le 99/154 Verifying : libzstd-1.5.5-4.fc39.ppc64le 100/154 Verifying : lua-libs-5.4.6-3.fc39.ppc64le 101/154 Verifying : lua-srpm-macros-1-9.fc39.noarch 102/154 Verifying : lz4-libs-1.9.4-4.fc39.ppc64le 103/154 Verifying : mpfr-4.2.0-3.fc39.ppc64le 104/154 Verifying : ncurses-base-6.4-6.20230520.fc39.noarch 105/154 Verifying : ncurses-libs-6.4-6.20230520.fc39.ppc64le 106/154 Verifying : ocaml-srpm-macros-8-2.fc39.noarch 107/154 Verifying : openblas-srpm-macros-2-14.fc39.noarch 108/154 Verifying : openldap-2.6.6-1.fc39.ppc64le 109/154 Verifying : openssl-libs-1:3.1.1-1.fc39.ppc64le 110/154 Verifying : p11-kit-0.25.0-2.fc39.ppc64le 111/154 Verifying : p11-kit-trust-0.25.0-2.fc39.ppc64le 112/154 Verifying : package-notes-srpm-macros-0.5-9.fc39.noarch 113/154 Verifying : pam-1.5.3-2.fc39.ppc64le 114/154 Verifying : pam-libs-1.5.3-2.fc39.ppc64le 115/154 Verifying : patch-2.7.6-22.fc39.ppc64le 116/154 Verifying : pcre2-10.42-1.fc39.2.ppc64le 117/154 Verifying : pcre2-syntax-10.42-1.fc39.2.noarch 118/154 Verifying : perl-srpm-macros-1-51.fc39.noarch 119/154 Verifying : pkgconf-1.9.5-2.fc39.ppc64le 120/154 Verifying : pkgconf-m4-1.9.5-2.fc39.noarch 121/154 Verifying : pkgconf-pkg-config-1.9.5-2.fc39.ppc64le 122/154 Verifying : popt-1.19-3.fc39.ppc64le 123/154 Verifying : publicsuffix-list-dafsa-20230614-2.fc39.noarch 124/154 Verifying : pyproject-srpm-macros-1.9.0-2.fc39.noarch 125/154 Verifying : python-srpm-macros-3.12-2.fc39.noarch 126/154 Verifying : qt5-srpm-macros-5.15.10-2.fc39.noarch 127/154 Verifying : qt6-srpm-macros-6.5.2-2.fc39.noarch 128/154 Verifying : readline-8.2-4.fc39.ppc64le 129/154 Verifying : redhat-rpm-config-262-1.fc39.noarch 130/154 Verifying : rpm-4.18.92-1.fc39.ppc64le 131/154 Verifying : rpm-build-4.18.92-1.fc39.ppc64le 132/154 Verifying : rpm-build-libs-4.18.92-1.fc39.ppc64le 133/154 Verifying : rpm-libs-4.18.92-1.fc39.ppc64le 134/154 Verifying : rpm-sequoia-1.4.1-2.fc39.ppc64le 135/154 Verifying : rpmautospec-rpm-macros-0.3.5-4.fc39.noarch 136/154 Verifying : rust-srpm-macros-24-3.fc39.noarch 137/154 Verifying : sed-4.8-14.fc39.ppc64le 138/154 Verifying : setup-2.14.4-1.fc39.noarch 139/154 Verifying : shadow-utils-2:4.13-8.fc39.ppc64le 140/154 Verifying : sqlite-libs-3.42.0-7.fc39.ppc64le 141/154 Verifying : systemd-libs-254.1-2.fc40.ppc64le 142/154 Verifying : tar-2:1.35-1.fc39.ppc64le 143/154 Verifying : tzdata-2023c-2.fc39.noarch 144/154 Verifying : unzip-6.0-62.fc39.ppc64le 145/154 Verifying : util-linux-2.39.1-3.fc39.ppc64le 146/154 Verifying : util-linux-core-2.39.1-3.fc39.ppc64le 147/154 Verifying : which-2.21-40.fc39.ppc64le 148/154 Verifying : xxhash-libs-0.8.2-1.fc39.ppc64le 149/154 Verifying : xz-5.4.4-1.fc39.ppc64le 150/154 Verifying : xz-libs-5.4.4-1.fc39.ppc64le 151/154 Verifying : zip-3.0-38.fc39.ppc64le 152/154 Verifying : zlib-1.2.13-4.fc39.ppc64le 153/154 Verifying : zstd-1.5.5-4.fc39.ppc64le 154/154 Installed: alternatives-1.25-1.fc39.ppc64le ansible-srpm-macros-1-11.fc39.noarch audit-libs-3.1.2-1.fc39.ppc64le authselect-1.4.2-3.fc39.ppc64le authselect-libs-1.4.2-3.fc39.ppc64le basesystem-11-18.fc39.noarch bash-5.2.15-5.fc39.ppc64le binutils-2.40-13.fc39.ppc64le binutils-gold-2.40-13.fc39.ppc64le bzip2-1.0.8-16.fc39.ppc64le bzip2-libs-1.0.8-16.fc39.ppc64le ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch coreutils-9.3-2.fc39.ppc64le coreutils-common-9.3-2.fc39.ppc64le cpio-2.14-4.fc39.ppc64le cracklib-2.9.11-2.fc39.ppc64le crypto-policies-20230731-1.git5ed06e0.fc39.noarch curl-8.2.1-2.fc40.ppc64le cyrus-sasl-lib-2.1.28-11.fc39.ppc64le debugedit-5.0-10.fc39.ppc64le diffutils-3.10-3.fc39.ppc64le dwz-0.15-3.fc39.ppc64le ed-1.19-4.fc39.ppc64le efi-srpm-macros-5-9.fc39.noarch elfutils-0.189-4.fc39.ppc64le elfutils-debuginfod-client-0.189-4.fc39.ppc64le elfutils-default-yama-scope-0.189-4.fc39.noarch elfutils-libelf-0.189-4.fc39.ppc64le elfutils-libs-0.189-4.fc39.ppc64le fedora-gpg-keys-40-0.1.noarch fedora-release-40-0.2.noarch fedora-release-common-40-0.2.noarch fedora-release-identity-basic-40-0.2.noarch fedora-repos-40-0.1.noarch fedora-repos-rawhide-40-0.1.noarch file-5.45-1.fc40.ppc64le file-libs-5.45-1.fc40.ppc64le filesystem-3.18-6.fc39.ppc64le findutils-1:4.9.0-5.fc39.ppc64le fonts-srpm-macros-1:2.0.5-12.fc39.noarch fpc-srpm-macros-1.3-8.fc39.noarch gawk-5.2.2-2.fc39.ppc64le gdb-minimal-13.2-7.fc40.ppc64le gdbm-libs-1:1.23-4.fc39.ppc64le ghc-srpm-macros-1.6.1-2.fc39.noarch glibc-2.38-1.fc39.ppc64le glibc-common-2.38-1.fc39.ppc64le glibc-gconv-extra-2.38-1.fc39.ppc64le glibc-minimal-langpack-2.38-1.fc39.ppc64le gmp-1:6.2.1-5.fc39.ppc64le gnat-srpm-macros-6-3.fc39.noarch go-srpm-macros-3.2.0-6.fc39.noarch grep-3.11-5.fc40.ppc64le gzip-1.12-6.fc39.ppc64le info-7.0.3-3.fc39.ppc64le jansson-2.13.1-7.fc39.ppc64le kernel-srpm-macros-1.0-20.fc39.noarch keyutils-libs-1.6.1-7.fc39.ppc64le krb5-libs-1.21-3.fc39.ppc64le libacl-2.3.1-8.fc39.ppc64le libarchive-3.7.1-1.fc39.ppc64le libattr-2.5.1-8.fc39.ppc64le libblkid-2.39.1-3.fc39.ppc64le libbrotli-1.0.9-13.fc39.ppc64le libcap-2.48-7.fc39.ppc64le libcap-ng-0.8.3-7.fc39.ppc64le libcom_err-1.47.0-2.fc39.ppc64le libcurl-8.2.1-2.fc40.ppc64le libdb-5.3.28-56.fc39.ppc64le libeconf-0.4.0-6.fc39.ppc64le libevent-2.1.12-9.fc39.ppc64le libfdisk-2.39.1-3.fc39.ppc64le libffi-3.4.4-4.fc39.ppc64le libgcc-13.2.1-1.fc39.ppc64le libgomp-13.2.1-1.fc39.ppc64le libidn2-2.3.4-3.fc39.ppc64le libmount-2.39.1-3.fc39.ppc64le libnghttp2-1.55.1-2.fc39.ppc64le libnsl2-2.0.0-6.fc39.ppc64le libpkgconf-1.9.5-2.fc39.ppc64le libpsl-0.21.2-4.fc39.ppc64le libpwquality-1.4.5-6.fc39.ppc64le librtas-2.0.4-3.fc39.ppc64le libselinux-3.5-5.fc39.ppc64le libsemanage-3.5-4.fc39.ppc64le libsepol-3.5-2.fc39.ppc64le libsigsegv-2.14-5.fc39.ppc64le libsmartcols-2.39.1-3.fc39.ppc64le libssh-0.10.5-2.fc39.ppc64le libssh-config-0.10.5-2.fc39.noarch libstdc++-13.2.1-1.fc39.ppc64le libtasn1-4.19.0-3.fc39.ppc64le libtirpc-1.3.3-1.rc2.fc39.ppc64le libunistring-1.1-4.fc39.ppc64le libutempter-1.2.1-10.fc39.ppc64le libuuid-2.39.1-3.fc39.ppc64le libverto-0.3.2-6.fc39.ppc64le libxcrypt-4.4.36-2.fc39.ppc64le libxml2-2.10.4-3.fc39.ppc64le libzstd-1.5.5-4.fc39.ppc64le lua-libs-5.4.6-3.fc39.ppc64le lua-srpm-macros-1-9.fc39.noarch lz4-libs-1.9.4-4.fc39.ppc64le mpfr-4.2.0-3.fc39.ppc64le ncurses-base-6.4-6.20230520.fc39.noarch ncurses-libs-6.4-6.20230520.fc39.ppc64le ocaml-srpm-macros-8-2.fc39.noarch openblas-srpm-macros-2-14.fc39.noarch openldap-2.6.6-1.fc39.ppc64le openssl-libs-1:3.1.1-1.fc39.ppc64le p11-kit-0.25.0-2.fc39.ppc64le p11-kit-trust-0.25.0-2.fc39.ppc64le package-notes-srpm-macros-0.5-9.fc39.noarch pam-1.5.3-2.fc39.ppc64le pam-libs-1.5.3-2.fc39.ppc64le patch-2.7.6-22.fc39.ppc64le pcre2-10.42-1.fc39.2.ppc64le pcre2-syntax-10.42-1.fc39.2.noarch perl-srpm-macros-1-51.fc39.noarch pkgconf-1.9.5-2.fc39.ppc64le pkgconf-m4-1.9.5-2.fc39.noarch pkgconf-pkg-config-1.9.5-2.fc39.ppc64le popt-1.19-3.fc39.ppc64le publicsuffix-list-dafsa-20230614-2.fc39.noarch pyproject-srpm-macros-1.9.0-2.fc39.noarch python-srpm-macros-3.12-2.fc39.noarch qt5-srpm-macros-5.15.10-2.fc39.noarch qt6-srpm-macros-6.5.2-2.fc39.noarch readline-8.2-4.fc39.ppc64le redhat-rpm-config-262-1.fc39.noarch rpm-4.18.92-1.fc39.ppc64le rpm-build-4.18.92-1.fc39.ppc64le rpm-build-libs-4.18.92-1.fc39.ppc64le rpm-libs-4.18.92-1.fc39.ppc64le rpm-sequoia-1.4.1-2.fc39.ppc64le rpmautospec-rpm-macros-0.3.5-4.fc39.noarch rust-srpm-macros-24-3.fc39.noarch sed-4.8-14.fc39.ppc64le setup-2.14.4-1.fc39.noarch shadow-utils-2:4.13-8.fc39.ppc64le sqlite-libs-3.42.0-7.fc39.ppc64le systemd-libs-254.1-2.fc40.ppc64le tar-2:1.35-1.fc39.ppc64le tzdata-2023c-2.fc39.noarch unzip-6.0-62.fc39.ppc64le util-linux-2.39.1-3.fc39.ppc64le util-linux-core-2.39.1-3.fc39.ppc64le which-2.21-40.fc39.ppc64le xxhash-libs-0.8.2-1.fc39.ppc64le xz-5.4.4-1.fc39.ppc64le xz-libs-5.4.4-1.fc39.ppc64le zip-3.0-38.fc39.ppc64le zlib-1.2.13-4.fc39.ppc64le zstd-1.5.5-4.fc39.ppc64le Complete! Finish: installing minimal buildroot with dnf Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: dwz-0.15-3.fc39.ppc64le libuuid-2.39.1-3.fc39.ppc64le audit-libs-3.1.2-1.fc39.ppc64le libcom_err-1.47.0-2.fc39.ppc64le python-srpm-macros-3.12-2.fc39.noarch libcap-ng-0.8.3-7.fc39.ppc64le libsemanage-3.5-4.fc39.ppc64le glibc-gconv-extra-2.38-1.fc39.ppc64le shadow-utils-4.13-8.fc39.ppc64le rpm-4.18.92-1.fc39.ppc64le cpio-2.14-4.fc39.ppc64le perl-srpm-macros-1-51.fc39.noarch libarchive-3.7.1-1.fc39.ppc64le libssh-config-0.10.5-2.fc39.noarch elfutils-0.189-4.fc39.ppc64le libselinux-3.5-5.fc39.ppc64le pam-libs-1.5.3-2.fc39.ppc64le libacl-2.3.1-8.fc39.ppc64le which-2.21-40.fc39.ppc64le libevent-2.1.12-9.fc39.ppc64le libgomp-13.2.1-1.fc39.ppc64le readline-8.2-4.fc39.ppc64le pkgconf-m4-1.9.5-2.fc39.noarch rpmautospec-rpm-macros-0.3.5-4.fc39.noarch libfdisk-2.39.1-3.fc39.ppc64le pcre2-10.42-1.fc39.2.ppc64le kernel-srpm-macros-1.0-20.fc39.noarch zip-3.0-38.fc39.ppc64le gdbm-libs-1.23-4.fc39.ppc64le libidn2-2.3.4-3.fc39.ppc64le xxhash-libs-0.8.2-1.fc39.ppc64le gmp-6.2.1-5.fc39.ppc64le elfutils-libelf-0.189-4.fc39.ppc64le openldap-2.6.6-1.fc39.ppc64le fonts-srpm-macros-2.0.5-12.fc39.noarch pyproject-srpm-macros-1.9.0-2.fc39.noarch fedora-release-common-40-0.2.noarch elfutils-libs-0.189-4.fc39.ppc64le ansible-srpm-macros-1-11.fc39.noarch libxcrypt-4.4.36-2.fc39.ppc64le libpkgconf-1.9.5-2.fc39.ppc64le rpm-build-libs-4.18.92-1.fc39.ppc64le ocaml-srpm-macros-8-2.fc39.noarch libbrotli-1.0.9-13.fc39.ppc64le libutempter-1.2.1-10.fc39.ppc64le sed-4.8-14.fc39.ppc64le ghc-srpm-macros-1.6.1-2.fc39.noarch ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch libcurl-8.2.1-2.fc40.ppc64le libgcc-13.2.1-1.fc39.ppc64le fedora-gpg-keys-40-0.1.noarch glibc-common-2.38-1.fc39.ppc64le pcre2-syntax-10.42-1.fc39.2.noarch glibc-2.38-1.fc39.ppc64le file-5.45-1.fc40.ppc64le tzdata-2023c-2.fc39.noarch tar-1.35-1.fc39.ppc64le libtasn1-4.19.0-3.fc39.ppc64le glibc-minimal-langpack-2.38-1.fc39.ppc64le cracklib-2.9.11-2.fc39.ppc64le libxml2-2.10.4-3.fc39.ppc64le alternatives-1.25-1.fc39.ppc64le ed-1.19-4.fc39.ppc64le libeconf-0.4.0-6.fc39.ppc64le elfutils-debuginfod-client-0.189-4.fc39.ppc64le libffi-3.4.4-4.fc39.ppc64le krb5-libs-1.21-3.fc39.ppc64le libnsl2-2.0.0-6.fc39.ppc64le qt6-srpm-macros-6.5.2-2.fc39.noarch efi-srpm-macros-5-9.fc39.noarch libblkid-2.39.1-3.fc39.ppc64le jansson-2.13.1-7.fc39.ppc64le pam-1.5.3-2.fc39.ppc64le cyrus-sasl-lib-2.1.28-11.fc39.ppc64le grep-3.11-5.fc40.ppc64le fedora-release-40-0.2.noarch rust-srpm-macros-24-3.fc39.noarch util-linux-core-2.39.1-3.fc39.ppc64le libpwquality-1.4.5-6.fc39.ppc64le pkgconf-1.9.5-2.fc39.ppc64le diffutils-3.10-3.fc39.ppc64le lz4-libs-1.9.4-4.fc39.ppc64le crypto-policies-20230731-1.git5ed06e0.fc39.noarch info-7.0.3-3.fc39.ppc64le libdb-5.3.28-56.fc39.ppc64le setup-2.14.4-1.fc39.noarch lua-srpm-macros-1-9.fc39.noarch mpfr-4.2.0-3.fc39.ppc64le keyutils-libs-1.6.1-7.fc39.ppc64le bzip2-libs-1.0.8-16.fc39.ppc64le libattr-2.5.1-8.fc39.ppc64le pkgconf-pkg-config-1.9.5-2.fc39.ppc64le authselect-libs-1.4.2-3.fc39.ppc64le libssh-0.10.5-2.fc39.ppc64le file-libs-5.45-1.fc40.ppc64le rpm-build-4.18.92-1.fc39.ppc64le p11-kit-trust-0.25.0-2.fc39.ppc64le libverto-0.3.2-6.fc39.ppc64le fpc-srpm-macros-1.3-8.fc39.noarch fedora-release-identity-basic-40-0.2.noarch libmount-2.39.1-3.fc39.ppc64le libstdc++-13.2.1-1.fc39.ppc64le patch-2.7.6-22.fc39.ppc64le util-linux-2.39.1-3.fc39.ppc64le libunistring-1.1-4.fc39.ppc64le filesystem-3.18-6.fc39.ppc64le libpsl-0.21.2-4.fc39.ppc64le libsmartcols-2.39.1-3.fc39.ppc64le elfutils-default-yama-scope-0.189-4.fc39.noarch fedora-repos-40-0.1.noarch lua-libs-5.4.6-3.fc39.ppc64le binutils-2.40-13.fc39.ppc64le fedora-repos-rawhide-40-0.1.noarch xz-libs-5.4.4-1.fc39.ppc64le coreutils-9.3-2.fc39.ppc64le binutils-gold-2.40-13.fc39.ppc64le xz-5.4.4-1.fc39.ppc64le gawk-5.2.2-2.fc39.ppc64le basesystem-11-18.fc39.noarch gnat-srpm-macros-6-3.fc39.noarch qt5-srpm-macros-5.15.10-2.fc39.noarch curl-8.2.1-2.fc40.ppc64le redhat-rpm-config-262-1.fc39.noarch rpm-sequoia-1.4.1-2.fc39.ppc64le publicsuffix-list-dafsa-20230614-2.fc39.noarch systemd-libs-254.1-2.fc40.ppc64le go-srpm-macros-3.2.0-6.fc39.noarch zstd-1.5.5-4.fc39.ppc64le ncurses-base-6.4-6.20230520.fc39.noarch bash-5.2.15-5.fc39.ppc64le ncurses-libs-6.4-6.20230520.fc39.ppc64le zlib-1.2.13-4.fc39.ppc64le libtirpc-1.3.3-1.rc2.fc39.ppc64le libzstd-1.5.5-4.fc39.ppc64le openblas-srpm-macros-2-14.fc39.noarch popt-1.19-3.fc39.ppc64le libnghttp2-1.55.1-2.fc39.ppc64le libsepol-3.5-2.fc39.ppc64le authselect-1.4.2-3.fc39.ppc64le findutils-4.9.0-5.fc39.ppc64le debugedit-5.0-10.fc39.ppc64le gdb-minimal-13.2-7.fc40.ppc64le package-notes-srpm-macros-0.5-9.fc39.noarch gzip-1.12-6.fc39.ppc64le sqlite-libs-3.42.0-7.fc39.ppc64le libsigsegv-2.14-5.fc39.ppc64le librtas-2.0.4-3.fc39.ppc64le bzip2-1.0.8-16.fc39.ppc64le coreutils-common-9.3-2.fc39.ppc64le openssl-libs-3.1.1-1.fc39.ppc64le rpm-libs-4.18.92-1.fc39.ppc64le unzip-6.0-62.fc39.ppc64le libcap-2.48-7.fc39.ppc64le p11-kit-0.25.0-2.fc39.ppc64le Start: buildsrpm Start: rpmbuild -bs Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1691971200 Wrote: /builddir/build/SRPMS/xtb-6.6.1-1.fc40.src.rpm Finish: rpmbuild -bs INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-39-ppc64le-1692102054.535910/root/var/log/dnf.rpm.log /var/lib/mock/fedora-39-ppc64le-1692102054.535910/root/var/log/dnf.librepo.log /var/lib/mock/fedora-39-ppc64le-1692102054.535910/root/var/log/dnf.log Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-4xxr5rtx/xtb/xtb.spec) Config(child) 3 minutes 0 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot Finish: run Running (timeout=18000): unbuffer mock --rebuild /var/lib/copr-rpmbuild/results/xtb-6.6.1-1.fc40.src.rpm --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1692102054.535910 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 5.0 starting (python version = 3.11.3, NVR = mock-5.0-1.fc38)... Start(bootstrap): init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish(bootstrap): init plugins Start: init plugins INFO: tmpfs initialized INFO: selinux enabled INFO: chroot_scan: initialized INFO: compress_logs: initialized Finish: init plugins INFO: Signal handler active Start: run INFO: Start(/var/lib/copr-rpmbuild/results/xtb-6.6.1-1.fc40.src.rpm) Config(fedora-39-ppc64le) Start: clean chroot Finish: clean chroot Mock Version: 5.0 INFO: Mock Version: 5.0 Start(bootstrap): chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-39-ppc64le-bootstrap-1692102054.535910/root. INFO: reusing tmpfs at /var/lib/mock/fedora-39-ppc64le-bootstrap-1692102054.535910/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: Package manager dnf detected and used (fallback) Finish(bootstrap): chroot init Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-39-ppc64le-1692102054.535910/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: Package manager dnf detected and used (direct choice) Start: dnf update No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 22 kB/s | 1.5 kB 00:00 Additional repo http_kojipkgs_fedoraproject_org 48 kB/s | 3.8 kB 00:00 fedora 58 kB/s | 5.1 kB 00:00 updates 76 kB/s | 4.4 kB 00:00 Dependencies resolved. Nothing to do. Complete! Finish: dnf update Finish: chroot init Start: build phase for xtb-6.6.1-1.fc40.src.rpm Start: build setup for xtb-6.6.1-1.fc40.src.rpm Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1691971200 Wrote: /builddir/build/SRPMS/xtb-6.6.1-1.fc40.src.rpm No matches found for the following disable plugin patterns: local, spacewalk, versionlock Copr repository 26 kB/s | 1.5 kB 00:00 Additional repo http_kojipkgs_fedoraproject_org 58 kB/s | 3.8 kB 00:00 fedora 71 kB/s | 5.1 kB 00:00 updates 114 kB/s | 4.4 kB 00:00 Dependencies resolved. ==================================================================================================================================== Package Arch Version Repository Size ==================================================================================================================================== Installing: flexiblas-devel ppc64le 3.3.1-5.fc39 copr_base 109 k gcc-gfortran ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11 M hostname ppc64le 3.23-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 28 k mctc-lib-devel ppc64le 0.3.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 170 k meson noarch 1.2.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 M ninja-build ppc64le 1.11.1-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 180 k rubygem-asciidoctor noarch 2.0.20-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 249 k test-drive-devel ppc64le 0.4.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 17 k Installing dependencies: annobin-docs noarch 12.23-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 96 k annobin-plugin-gcc ppc64le 12.23-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 962 k cmake-filesystem ppc64le 3.27.2-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18 k cpp ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.8 M emacs-filesystem noarch 1:29.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.4 k expat ppc64le 2.5.0-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 116 k flexiblas ppc64le 3.3.1-5.fc39 copr_base 33 k flexiblas-netlib ppc64le 3.3.1-5.fc39 copr_base 2.8 M flexiblas-netlib64 ppc64le 3.3.1-5.fc39 copr_base 2.7 M flexiblas-openblas-openmp ppc64le 3.3.1-5.fc39 copr_base 17 k flexiblas-openblas-openmp64 ppc64le 3.3.1-5.fc39 copr_base 17 k gc ppc64le 8.2.2-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 122 k gcc ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 31 M gcc-plugin-annobin ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 49 k glibc-devel ppc64le 2.38-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 506 k guile22 ppc64le 2.2.7-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.5 M json-fortran ppc64le 8.3.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 107 k json-fortran-devel ppc64le 8.3.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 90 k kernel-headers ppc64le 6.5.0-0.rc6.git0.1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 M libasan ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 493 k libatomic ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 35 k libb2 ppc64le 0.98.1-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 25 k libgfortran ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 608 k libmpc ppc64le 1.3.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 95 k libquadmath ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 210 k libquadmath-devel ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 36 k libtool-ltdl ppc64le 2.4.7-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40 k libubsan ppc64le 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 250 k libxcrypt-devel ppc64le 4.4.36-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30 k libyaml ppc64le 0.2.5-12.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 69 k make ppc64le 1:4.4.1-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 597 k mctc-lib ppc64le 0.3.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 120 k mpdecimal ppc64le 2.5.1-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 104 k openblas ppc64le 0.3.23-1.fc39 copr_base 36 k openblas-openmp ppc64le 0.3.23-1.fc39 copr_base 4.5 M openblas-openmp64 ppc64le 0.3.23-1.fc39 copr_base 4.4 M python-pip-wheel noarch 23.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 M python3 ppc64le 3.12.0~rc1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26 k python3-libs ppc64le 3.12.0~rc1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.0 M python3-setuptools noarch 67.7.2-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 M ruby ppc64le 3.2.2-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41 k ruby-default-gems noarch 3.2.2-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 31 k ruby-libs ppc64le 3.2.2-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.5 M rubygem-io-console ppc64le 0.6.0-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26 k rubygem-psych ppc64le 5.0.1-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 51 k rubygems noarch 3.4.10-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 255 k rubypick noarch 1.1.1-19.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.9 k test-drive ppc64le 0.4.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 55 k vim-filesystem noarch 2:9.0.1712-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18 k Transaction Summary ==================================================================================================================================== Install 57 Packages Total download size: 97 M Installed size: 395 M Downloading Packages: (1/57): flexiblas-3.3.1-5.fc39.ppc64le.rpm 578 kB/s | 33 kB 00:00 (2/57): flexiblas-devel-3.3.1-5.fc39.ppc64le.rp 1.8 MB/s | 109 kB 00:00 (3/57): flexiblas-openblas-openmp-3.3.1-5.fc39. 204 kB/s | 17 kB 00:00 (4/57): flexiblas-netlib-3.3.1-5.fc39.ppc64le.r 17 MB/s | 2.8 MB 00:00 (5/57): flexiblas-netlib64-3.3.1-5.fc39.ppc64le 20 MB/s | 2.7 MB 00:00 (6/57): flexiblas-openblas-openmp64-3.3.1-5.fc3 335 kB/s | 17 kB 00:00 (7/57): openblas-0.3.23-1.fc39.ppc64le.rpm 1.1 MB/s | 36 kB 00:00 (8/57): annobin-docs-12.23-1.fc39.noarch.rpm 774 kB/s | 96 kB 00:00 (9/57): openblas-openmp-0.3.23-1.fc39.ppc64le.r 26 MB/s | 4.5 MB 00:00 (10/57): openblas-openmp64-0.3.23-1.fc39.ppc64l 23 MB/s | 4.4 MB 00:00 (11/57): annobin-plugin-gcc-12.23-1.fc39.ppc64l 9.6 MB/s | 962 kB 00:00 (12/57): emacs-filesystem-29.1-1.fc39.noarch.rp 351 kB/s | 8.4 kB 00:00 (13/57): cmake-filesystem-3.27.2-1.fc40.ppc64le 249 kB/s | 18 kB 00:00 (14/57): expat-2.5.0-3.fc39.ppc64le.rpm 4.0 MB/s | 116 kB 00:00 (15/57): gc-8.2.2-4.fc39.ppc64le.rpm 1.4 MB/s | 122 kB 00:00 (16/57): gcc-13.2.1-1.fc39.ppc64le.rpm 28 MB/s | 31 MB 00:01 (17/57): gcc-plugin-annobin-13.2.1-1.fc39.ppc64 1.2 MB/s | 49 kB 00:00 (18/57): glibc-devel-2.38-1.fc39.ppc64le.rpm 9.8 MB/s | 506 kB 00:00 (19/57): gcc-gfortran-13.2.1-1.fc39.ppc64le.rpm 8.5 MB/s | 11 MB 00:01 (20/57): guile22-2.2.7-9.fc39.ppc64le.rpm 23 MB/s | 6.5 MB 00:00 (21/57): hostname-3.23-9.fc39.ppc64le.rpm 438 kB/s | 28 kB 00:00 (22/57): json-fortran-devel-8.3.0-5.fc39.ppc64l 2.0 MB/s | 90 kB 00:00 (23/57): json-fortran-8.3.0-5.fc39.ppc64le.rpm 2.2 MB/s | 107 kB 00:00 (24/57): libasan-13.2.1-1.fc39.ppc64le.rpm 7.9 MB/s | 493 kB 00:00 (25/57): kernel-headers-6.5.0-0.rc6.git0.1.fc40 16 MB/s | 1.4 MB 00:00 (26/57): libatomic-13.2.1-1.fc39.ppc64le.rpm 947 kB/s | 35 kB 00:00 (27/57): libb2-0.98.1-9.fc39.ppc64le.rpm 705 kB/s | 25 kB 00:00 (28/57): libmpc-1.3.1-3.fc39.ppc64le.rpm 2.3 MB/s | 95 kB 00:00 (29/57): libgfortran-13.2.1-1.fc39.ppc64le.rpm 8.8 MB/s | 608 kB 00:00 (30/57): libquadmath-13.2.1-1.fc39.ppc64le.rpm 5.7 MB/s | 210 kB 00:00 (31/57): libquadmath-devel-13.2.1-1.fc39.ppc64l 1.0 MB/s | 36 kB 00:00 (32/57): libtool-ltdl-2.4.7-7.fc39.ppc64le.rpm 1.2 MB/s | 40 kB 00:00 (33/57): libubsan-13.2.1-1.fc39.ppc64le.rpm 6.7 MB/s | 250 kB 00:00 (34/57): libxcrypt-devel-4.4.36-2.fc39.ppc64le. 920 kB/s | 30 kB 00:00 (35/57): libyaml-0.2.5-12.fc39.ppc64le.rpm 1.9 MB/s | 69 kB 00:00 (36/57): make-4.4.1-2.fc39.ppc64le.rpm 14 MB/s | 597 kB 00:00 (37/57): mctc-lib-0.3.0-6.fc39.ppc64le.rpm 2.7 MB/s | 120 kB 00:00 (38/57): mctc-lib-devel-0.3.0-6.fc39.ppc64le.rp 3.9 MB/s | 170 kB 00:00 (39/57): mpdecimal-2.5.1-7.fc39.ppc64le.rpm 2.5 MB/s | 104 kB 00:00 (40/57): ninja-build-1.11.1-4.fc39.ppc64le.rpm 3.8 MB/s | 180 kB 00:00 (41/57): meson-1.2.1-1.fc40.noarch.rpm 13 MB/s | 1.9 MB 00:00 (42/57): cpp-13.2.1-1.fc39.ppc64le.rpm 4.6 MB/s | 9.8 MB 00:02 (43/57): python-pip-wheel-23.2.1-1.fc39.noarch. 13 MB/s | 1.5 MB 00:00 (44/57): python3-3.12.0~rc1-1.fc40.ppc64le.rpm 299 kB/s | 26 kB 00:00 (45/57): ruby-3.2.2-181.fc39.ppc64le.rpm 679 kB/s | 41 kB 00:00 (46/57): ruby-default-gems-3.2.2-181.fc39.noarc 541 kB/s | 31 kB 00:00 (47/57): python3-setuptools-67.7.2-5.fc39.noarc 9.4 MB/s | 1.4 MB 00:00 (48/57): rubygem-asciidoctor-2.0.20-3.fc39.noar 4.4 MB/s | 249 kB 00:00 (49/57): rubygem-io-console-0.6.0-181.fc39.ppc6 472 kB/s | 26 kB 00:00 (50/57): python3-libs-3.12.0~rc1-1.fc40.ppc64le 29 MB/s | 9.0 MB 00:00 (51/57): rubygem-psych-5.0.1-181.fc39.ppc64le.r 671 kB/s | 51 kB 00:00 (52/57): rubygems-3.4.10-181.fc39.noarch.rpm 5.7 MB/s | 255 kB 00:00 (53/57): rubypick-1.1.1-19.fc39.noarch.rpm 257 kB/s | 9.9 kB 00:00 (54/57): test-drive-0.4.0-5.fc39.ppc64le.rpm 1.2 MB/s | 55 kB 00:00 (55/57): test-drive-devel-0.4.0-5.fc39.ppc64le. 421 kB/s | 17 kB 00:00 (56/57): vim-filesystem-9.0.1712-1.fc40.noarch. 449 kB/s | 18 kB 00:00 (57/57): ruby-libs-3.2.2-181.fc39.ppc64le.rpm 4.6 MB/s | 3.5 MB 00:00 -------------------------------------------------------------------------------- Total 28 MB/s | 97 MB 00:03 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : libgfortran-13.2.1-1.fc39.ppc64le 1/57 Installing : ruby-libs-3.2.2-181.fc39.ppc64le 2/57 Installing : libquadmath-13.2.1-1.fc39.ppc64le 3/57 Installing : libmpc-1.3.1-3.fc39.ppc64le 4/57 Installing : json-fortran-8.3.0-5.fc39.ppc64le 5/57 Installing : cmake-filesystem-3.27.2-1.fc40.ppc64le 6/57 Installing : openblas-0.3.23-1.fc39.ppc64le 7/57 Installing : openblas-openmp-0.3.23-1.fc39.ppc64le 8/57 Installing : openblas-openmp64-0.3.23-1.fc39.ppc64le 9/57 Installing : flexiblas-netlib-3.3.1-5.fc39.ppc64le 10/57 Installing : flexiblas-openblas-openmp-3.3.1-5.fc39.ppc64le 11/57 Installing : flexiblas-netlib64-3.3.1-5.fc39.ppc64le 12/57 Installing : flexiblas-openblas-openmp64-3.3.1-5.fc39.ppc64le 13/57 Installing : flexiblas-3.3.1-5.fc39.ppc64le 14/57 Installing : mctc-lib-0.3.0-6.fc39.ppc64le 15/57 Installing : cpp-13.2.1-1.fc39.ppc64le 16/57 Installing : test-drive-0.4.0-5.fc39.ppc64le 17/57 Installing : vim-filesystem-2:9.0.1712-1.fc40.noarch 18/57 Installing : python-pip-wheel-23.2.1-1.fc39.noarch 19/57 Installing : mpdecimal-2.5.1-7.fc39.ppc64le 20/57 Installing : libyaml-0.2.5-12.fc39.ppc64le 21/57 Installing : rubypick-1.1.1-19.fc39.noarch 22/57 Installing : ruby-3.2.2-181.fc39.ppc64le 23/57 Installing : ruby-default-gems-3.2.2-181.fc39.noarch 24/57 Installing : rubygem-io-console-0.6.0-181.fc39.ppc64le 25/57 Installing : rubygems-3.4.10-181.fc39.noarch 26/57 Installing : rubygem-psych-5.0.1-181.fc39.ppc64le 27/57 Installing : libubsan-13.2.1-1.fc39.ppc64le 28/57 Installing : libtool-ltdl-2.4.7-7.fc39.ppc64le 29/57 Installing : libb2-0.98.1-9.fc39.ppc64le 30/57 Installing : libatomic-13.2.1-1.fc39.ppc64le 31/57 Installing : libasan-13.2.1-1.fc39.ppc64le 32/57 Installing : kernel-headers-6.5.0-0.rc6.git0.1.fc40.ppc64le 33/57 Installing : libxcrypt-devel-4.4.36-2.fc39.ppc64le 34/57 Installing : glibc-devel-2.38-1.fc39.ppc64le 35/57 Installing : gc-8.2.2-4.fc39.ppc64le 36/57 Installing : guile22-2.2.7-9.fc39.ppc64le 37/57 Installing : make-1:4.4.1-2.fc39.ppc64le 38/57 Installing : gcc-13.2.1-1.fc39.ppc64le 39/57 Running scriptlet: gcc-13.2.1-1.fc39.ppc64le 39/57 Installing : libquadmath-devel-13.2.1-1.fc39.ppc64le 40/57 Installing : gcc-gfortran-13.2.1-1.fc39.ppc64le 41/57 Installing : json-fortran-devel-8.3.0-5.fc39.ppc64le 42/57 Installing : expat-2.5.0-3.fc39.ppc64le 43/57 Installing : python3-3.12.0~rc1-1.fc40.ppc64le 44/57 Installing : python3-libs-3.12.0~rc1-1.fc40.ppc64le 45/57 Installing : python3-setuptools-67.7.2-5.fc39.noarch 46/57 Installing : emacs-filesystem-1:29.1-1.fc39.noarch 47/57 Installing : ninja-build-1.11.1-4.fc39.ppc64le 48/57 Installing : annobin-docs-12.23-1.fc39.noarch 49/57 Installing : annobin-plugin-gcc-12.23-1.fc39.ppc64le 50/57 Running scriptlet: annobin-plugin-gcc-12.23-1.fc39.ppc64le 50/57 Installing : meson-1.2.1-1.fc40.noarch 51/57 Installing : mctc-lib-devel-0.3.0-6.fc39.ppc64le 52/57 Installing : gcc-plugin-annobin-13.2.1-1.fc39.ppc64le 53/57 Running scriptlet: gcc-plugin-annobin-13.2.1-1.fc39.ppc64le 53/57 Installing : rubygem-asciidoctor-2.0.20-3.fc39.noarch 54/57 Installing : test-drive-devel-0.4.0-5.fc39.ppc64le 55/57 Installing : flexiblas-devel-3.3.1-5.fc39.ppc64le 56/57 Installing : hostname-3.23-9.fc39.ppc64le 57/57 Running scriptlet: hostname-3.23-9.fc39.ppc64le 57/57 Verifying : flexiblas-3.3.1-5.fc39.ppc64le 1/57 Verifying : flexiblas-devel-3.3.1-5.fc39.ppc64le 2/57 Verifying : flexiblas-netlib-3.3.1-5.fc39.ppc64le 3/57 Verifying : flexiblas-netlib64-3.3.1-5.fc39.ppc64le 4/57 Verifying : flexiblas-openblas-openmp-3.3.1-5.fc39.ppc64le 5/57 Verifying : flexiblas-openblas-openmp64-3.3.1-5.fc39.ppc64le 6/57 Verifying : openblas-0.3.23-1.fc39.ppc64le 7/57 Verifying : openblas-openmp-0.3.23-1.fc39.ppc64le 8/57 Verifying : openblas-openmp64-0.3.23-1.fc39.ppc64le 9/57 Verifying : annobin-docs-12.23-1.fc39.noarch 10/57 Verifying : annobin-plugin-gcc-12.23-1.fc39.ppc64le 11/57 Verifying : cmake-filesystem-3.27.2-1.fc40.ppc64le 12/57 Verifying : cpp-13.2.1-1.fc39.ppc64le 13/57 Verifying : emacs-filesystem-1:29.1-1.fc39.noarch 14/57 Verifying : expat-2.5.0-3.fc39.ppc64le 15/57 Verifying : gc-8.2.2-4.fc39.ppc64le 16/57 Verifying : gcc-13.2.1-1.fc39.ppc64le 17/57 Verifying : gcc-gfortran-13.2.1-1.fc39.ppc64le 18/57 Verifying : gcc-plugin-annobin-13.2.1-1.fc39.ppc64le 19/57 Verifying : glibc-devel-2.38-1.fc39.ppc64le 20/57 Verifying : guile22-2.2.7-9.fc39.ppc64le 21/57 Verifying : hostname-3.23-9.fc39.ppc64le 22/57 Verifying : json-fortran-8.3.0-5.fc39.ppc64le 23/57 Verifying : json-fortran-devel-8.3.0-5.fc39.ppc64le 24/57 Verifying : kernel-headers-6.5.0-0.rc6.git0.1.fc40.ppc64le 25/57 Verifying : libasan-13.2.1-1.fc39.ppc64le 26/57 Verifying : libatomic-13.2.1-1.fc39.ppc64le 27/57 Verifying : libb2-0.98.1-9.fc39.ppc64le 28/57 Verifying : libgfortran-13.2.1-1.fc39.ppc64le 29/57 Verifying : libmpc-1.3.1-3.fc39.ppc64le 30/57 Verifying : libquadmath-13.2.1-1.fc39.ppc64le 31/57 Verifying : libquadmath-devel-13.2.1-1.fc39.ppc64le 32/57 Verifying : libtool-ltdl-2.4.7-7.fc39.ppc64le 33/57 Verifying : libubsan-13.2.1-1.fc39.ppc64le 34/57 Verifying : libxcrypt-devel-4.4.36-2.fc39.ppc64le 35/57 Verifying : libyaml-0.2.5-12.fc39.ppc64le 36/57 Verifying : make-1:4.4.1-2.fc39.ppc64le 37/57 Verifying : mctc-lib-0.3.0-6.fc39.ppc64le 38/57 Verifying : mctc-lib-devel-0.3.0-6.fc39.ppc64le 39/57 Verifying : meson-1.2.1-1.fc40.noarch 40/57 Verifying : mpdecimal-2.5.1-7.fc39.ppc64le 41/57 Verifying : ninja-build-1.11.1-4.fc39.ppc64le 42/57 Verifying : python-pip-wheel-23.2.1-1.fc39.noarch 43/57 Verifying : python3-3.12.0~rc1-1.fc40.ppc64le 44/57 Verifying : python3-libs-3.12.0~rc1-1.fc40.ppc64le 45/57 Verifying : python3-setuptools-67.7.2-5.fc39.noarch 46/57 Verifying : ruby-3.2.2-181.fc39.ppc64le 47/57 Verifying : ruby-default-gems-3.2.2-181.fc39.noarch 48/57 Verifying : ruby-libs-3.2.2-181.fc39.ppc64le 49/57 Verifying : rubygem-asciidoctor-2.0.20-3.fc39.noarch 50/57 Verifying : rubygem-io-console-0.6.0-181.fc39.ppc64le 51/57 Verifying : rubygem-psych-5.0.1-181.fc39.ppc64le 52/57 Verifying : rubygems-3.4.10-181.fc39.noarch 53/57 Verifying : rubypick-1.1.1-19.fc39.noarch 54/57 Verifying : test-drive-0.4.0-5.fc39.ppc64le 55/57 Verifying : test-drive-devel-0.4.0-5.fc39.ppc64le 56/57 Verifying : vim-filesystem-2:9.0.1712-1.fc40.noarch 57/57 Installed: annobin-docs-12.23-1.fc39.noarch annobin-plugin-gcc-12.23-1.fc39.ppc64le cmake-filesystem-3.27.2-1.fc40.ppc64le cpp-13.2.1-1.fc39.ppc64le emacs-filesystem-1:29.1-1.fc39.noarch expat-2.5.0-3.fc39.ppc64le flexiblas-3.3.1-5.fc39.ppc64le flexiblas-devel-3.3.1-5.fc39.ppc64le flexiblas-netlib-3.3.1-5.fc39.ppc64le flexiblas-netlib64-3.3.1-5.fc39.ppc64le flexiblas-openblas-openmp-3.3.1-5.fc39.ppc64le flexiblas-openblas-openmp64-3.3.1-5.fc39.ppc64le gc-8.2.2-4.fc39.ppc64le gcc-13.2.1-1.fc39.ppc64le gcc-gfortran-13.2.1-1.fc39.ppc64le gcc-plugin-annobin-13.2.1-1.fc39.ppc64le glibc-devel-2.38-1.fc39.ppc64le guile22-2.2.7-9.fc39.ppc64le hostname-3.23-9.fc39.ppc64le json-fortran-8.3.0-5.fc39.ppc64le json-fortran-devel-8.3.0-5.fc39.ppc64le kernel-headers-6.5.0-0.rc6.git0.1.fc40.ppc64le libasan-13.2.1-1.fc39.ppc64le libatomic-13.2.1-1.fc39.ppc64le libb2-0.98.1-9.fc39.ppc64le libgfortran-13.2.1-1.fc39.ppc64le libmpc-1.3.1-3.fc39.ppc64le libquadmath-13.2.1-1.fc39.ppc64le libquadmath-devel-13.2.1-1.fc39.ppc64le libtool-ltdl-2.4.7-7.fc39.ppc64le libubsan-13.2.1-1.fc39.ppc64le libxcrypt-devel-4.4.36-2.fc39.ppc64le libyaml-0.2.5-12.fc39.ppc64le make-1:4.4.1-2.fc39.ppc64le mctc-lib-0.3.0-6.fc39.ppc64le mctc-lib-devel-0.3.0-6.fc39.ppc64le meson-1.2.1-1.fc40.noarch mpdecimal-2.5.1-7.fc39.ppc64le ninja-build-1.11.1-4.fc39.ppc64le openblas-0.3.23-1.fc39.ppc64le openblas-openmp-0.3.23-1.fc39.ppc64le openblas-openmp64-0.3.23-1.fc39.ppc64le python-pip-wheel-23.2.1-1.fc39.noarch python3-3.12.0~rc1-1.fc40.ppc64le python3-libs-3.12.0~rc1-1.fc40.ppc64le python3-setuptools-67.7.2-5.fc39.noarch ruby-3.2.2-181.fc39.ppc64le ruby-default-gems-3.2.2-181.fc39.noarch ruby-libs-3.2.2-181.fc39.ppc64le rubygem-asciidoctor-2.0.20-3.fc39.noarch rubygem-io-console-0.6.0-181.fc39.ppc64le rubygem-psych-5.0.1-181.fc39.ppc64le rubygems-3.4.10-181.fc39.noarch rubypick-1.1.1-19.fc39.noarch test-drive-0.4.0-5.fc39.ppc64le test-drive-devel-0.4.0-5.fc39.ppc64le vim-filesystem-2:9.0.1712-1.fc40.noarch Complete! Finish: build setup for xtb-6.6.1-1.fc40.src.rpm Start: rpmbuild xtb-6.6.1-1.fc40.src.rpm Building target platforms: ppc64le Building for target ppc64le setting SOURCE_DATE_EPOCH=1691971200 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.iffI3O + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf xtb-6.6.1 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/xtb-6.6.1.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd xtb-6.6.1 + rm -rf /builddir/build/BUILD/xtb-6.6.1-SPECPARTS + /usr/bin/mkdir -p /builddir/build/BUILD/xtb-6.6.1-SPECPARTS + /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 + echo 'Patch #4 (xtb-6.3.2-environment.patch):' Patch #4 (xtb-6.3.2-environment.patch): + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .env --fuzz=0 patching file src/type/environment.f90 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.C2k0xS + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.6.1 + export 'FFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + export 'FCLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + FCLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules -fPIC' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/meson setup --buildtype=plain --prefix=/usr --libdir=/usr/lib64 --libexecdir=/usr/libexec --bindir=/usr/bin --sbindir=/usr/sbin --includedir=/usr/include --datadir=/usr/share --mandir=/usr/share/man --infodir=/usr/share/info --localedir=/usr/share/locale --sysconfdir=/etc --localstatedir=/var --sharedstatedir=/var/lib --wrap-mode=nodownload --auto-features=enabled . redhat-linux-build -Dlapack=custom -Dcustom_libraries=flexiblas -Dtblite=disabled The Meson build system Version: 1.2.1 Source dir: /builddir/build/BUILD/xtb-6.6.1 Build dir: /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build Build type: native build Project name: xtb Project version: 6.6.1 Fortran compiler for the host machine: gfortran (gcc 13.2.1 "GNU Fortran (GCC) 13.2.1 20230728 (Red Hat 13.2.1-1)") Fortran linker for the host machine: gfortran ld.bfd 2.40-13 C compiler for the host machine: gcc (gcc 13.2.1 "gcc (GCC) 13.2.1 20230728 (Red Hat 13.2.1-1)") C linker for the host machine: gcc ld.bfd 2.40-13 Host machine cpu family: ppc64 Host machine cpu: ppc64le Program git found: NO Program python3 found: YES (/usr/bin/python3) Configuring xtb_version.fh using configuration meson.build:68: WARNING: The variable(s) 'author', 'date', 'origin' in the input file 'assets/templates/version.f90' are not present in the given configuration data. Library flexiblas found: YES Run-time dependency OpenMP found: YES 4.5 Run-time dependency threads found: YES Found pkg-config: /usr/bin/pkg-config (1.9.5) Run-time dependency mctc-lib found: YES 0.3.0 Dependency tblite skipped: feature tblite 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 6.6.1 User defined options auto_features : enabled bindir : /usr/bin buildtype : plain datadir : /usr/share includedir : /usr/include infodir : /usr/share/info libdir : /usr/lib64 libexecdir : /usr/libexec localedir : /usr/share/locale localstatedir : /var mandir : /usr/share/man prefix : /usr sbindir : /usr/sbin sharedstatedir : /var/lib sysconfdir : /etc wrap_mode : nodownload custom_libraries: flexiblas lapack : custom tblite : disabled Found ninja-1.11.1 at /usr/bin/ninja ++ date + date='Tue Aug 15 12:24:27 UTC 2023' + cat + /usr/bin/meson compile -C redhat-linux-build -j 5 --verbose ninja: Entering directory `/builddir/build/BUILD/xtb-6.6.1/redhat-linux-build' [1/343] gcc -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ libxtb.so.6.6.1.p/src_mctc_signal.c.o -MF libxtb.so.6.6.1.p/src_mctc_signal.c.o.d -o libxtb.so.6.6.1.p/src_mctc_signal.c.o -c ../src/mctc/signal.c [2/343] gcc -Itest/api/xtb_c_test.p -Itest/api -I../test/api -I../include -Ilibxtb.so.6.6.1.p -I/usr/include/mctc-lib/gcc-13.1.1 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -pthread -fopenmp -MD -MQ test/api/xtb_c_test.p/c_api_example.c.o -MF test/api/xtb_c_test.p/c_api_example.c.o.d -o test/api/xtb_c_test.p/c_api_example.c.o -c ../test/api/c_api_example.c [3/343] /usr/bin/meson --internal depscan xtb.p/xtb.dat xtb.p/depscan.dd /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/xtb.p/xtb-deps.json [4/343] /usr/bin/meson --internal depscan test/unit/tester.p/tester.dat test/unit/tester.p/depscan.dd /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/test/unit/tester.p/tester-deps.json [5/343] /usr/bin/meson --internal depscan libxtb.so.6.6.1.p/xtb.dat libxtb.so.6.6.1.p/depscan.dd /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/libxtb.so.6.6.1.p/xtb-deps.json [6/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_api_version.f90.o -c ../src/api/version.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [7/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_accuracy.f90.o -c ../src/mctc/accuracy.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [8/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_math.f.o -c ../src/gfnff/math.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/gfnff/math.f:61:14: 61 | , rab,rbc,thab,thbc,valijk, | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:61:18: 61 | , rab,rbc,thab,thbc,valijk, | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/gfnff/math.f:62:30: 62 | , vecnorm,nan,nbn,rcn,snanb,deter,pi | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] [9/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_mrec.f90.o -c ../src/gfnff/mrec.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [10/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_generator.f90.o -c ../src/gfnff/generator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [11/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gfnff_rab.f.o -c ../src/gfnff/gfnff_rab.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/gfnff/gfnff_rab.f:31:24: 31 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:31:27: 31 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:18:35: 18 | subroutine gfnffdrab(n,at,xyz,cn,dcn,nsrb,srblist,rab,grab) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_rab.f:184:24: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:184:27: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_rab.f:184:15: 184 | integer m,i,j,k,ii,jj,ati,atj,ir,jr | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] [12/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_neighbourlist.f90.o -c ../src/gfnff/neighbourlist.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [13/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_data.f90.o -c ../src/gfnff/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [14/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_blas_level1.F90.o -c ../src/mctc/blas/level1.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [15/343] gcc -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -Winvalid-pch -std=c11 -O2 -D_Float128=__float128 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -MD -MQ libxtb.so.6.6.1.p/symmetry_symmetry_i.c.o -MF libxtb.so.6.6.1.p/symmetry_symmetry_i.c.o.d -o libxtb.so.6.6.1.p/symmetry_symmetry_i.c.o -c ../symmetry/symmetry_i.c ../symmetry/symmetry_i.c: In function ‘optimize_transformation_params’: ../symmetry/symmetry_i.c:554:5: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 554 | if( cycle >= MaxOptCycles ) | ^~ ../symmetry/symmetry_i.c:556:9: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 556 | printf( " optimization completed after %d cycles with f = %g\n", cycle, f ) ; | ^~~~~~ ../symmetry/symmetry_i.c: In function ‘init_axis_parameters’: ../symmetry/symmetry_i.c:1055:12: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else] 1055 | else if( axis->direction[1] <= 0 ) | ^ ../symmetry/symmetry_i.c:1052:3: warning: suggest explicit braces to avoid ambiguous ‘else’ [-Wdangling-else] 1052 | if( axis->direction[0] <= 0 ) | ^ ../symmetry/symmetry_i.c: In function ‘find_improper_axes’: ../symmetry/symmetry_i.c:1409:1: warning: multi-line comment [-Wcomment] 1409 | //#pragma omp parallel for private(i,j,k, axis) \ | ^ ../symmetry/symmetry_i.c: In function ‘identify_point_group’: ../symmetry/symmetry_i.c:1691:24: warning: unused variable ‘j’ [-Wunused-variable] 1691 | int j ; | ^ [16/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_geneigval.f90.o -c ../src/mctc/lapack/geneigval.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [17/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_stdeigval.f90.o -c ../src/mctc/lapack/stdeigval.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [18/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_boundaryconditions.f90.o -c ../src/mctc/boundaryconditions.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [19/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_chartools.f90.o -c ../src/mctc/chartools.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [20/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_filetypes.f90.o -c ../src/mctc/filetypes.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [21/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_io.f90.o -c ../src/mctc/io.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [22/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_namegen.f90.o -c ../src/mctc/namegen.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [23/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_blas_wrap1.f90.o -c ../src/mctc/blas/wrap1.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [24/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_runtypes.f90.o -c ../src/mctc/runtypes.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [25/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_resize.f90.o -c ../src/mctc/resize.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/resize.f90:121:27: 121 | integer :: length, order, currentLength | 1 Warning: Unused variable ‘order’ declared at (1) [-Wunused-variable] ../src/mctc/resize.f90: In function ‘__xtb_mctc_resize_MOD_resizechar’: ../src/mctc/resize.f90:84:42: warning: ‘.tmp’ is used uninitialized [-Wuninitialized] 84 | character(len=:), allocatable :: tmp(:) | ^ ../src/mctc/resize.f90:144:25: note: ‘.tmp’ was declared here 144 | end subroutine resizeReal | ^ [26/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_blas_level2.F90.o -c ../src/mctc/blas/level2.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [27/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_search.f90.o -c ../src/mctc/search.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [28/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_sort.f90.o -c ../src/mctc/sort.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [29/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_blas_wrap2.f90.o -c ../src/mctc/blas/wrap2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [30/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_symbols.f90.o -c ../src/mctc/symbols.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [31/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_thresholds.f90.o -c ../src/mctc/thresholds.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [32/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_version.f90.o -c ../src/mctc/version.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [33/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_mctc_constants.f90.o -c ../src/mctc/mctc_constants.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [34/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_systools.F90.o -c ../src/mctc/systools.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [35/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_convert.f90.o -c ../src/mctc/convert.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [36/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_blas_level3.F90.o -c ../src/mctc/blas/level3.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [37/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_param_atomic_masses.f90.o -c ../src/mctc/param/atomic_masses.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [38/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_param_chemical_hardnesses.f90.o -c ../src/mctc/param/chemical_hardnesses.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [39/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_param_covalent_radii.f90.o -c ../src/mctc/param/covalent_radii.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [40/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_dftd3_parameters.f90.o -c ../src/disp/dftd3_parameters.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [41/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_param_electronegativities.f90.o -c ../src/mctc/param/electronegativities.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [42/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_param_pse.f90.o -c ../src/mctc/param/pse.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [43/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [44/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_mctc_param.f90.o -c ../src/mctc/mctc_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [45/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_mctc_timings.f90.o -c ../src/mctc/mctc_timings.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_timings.f90:138:28: 138 | character(len=8) :: date | 1 Warning: Unused variable ‘date’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:139:28: 139 | character(len=10) :: time | 1 Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:141:34: 141 | character(len=31) :: timestring | 1 Warning: Unused variable ‘timestring’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:142:30: 142 | integer(int64) :: values(8) | 1 Warning: Unused variable ‘values’ declared at (1) [-Wunused-variable] ../src/mctc/mctc_timings.f90:140:28: 140 | character(len=5) :: zone | 1 Warning: Unused variable ‘zone’ declared at (1) [-Wunused-variable] [46/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_param_atomicmass.f90.o -c ../src/param/atomicmass.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [47/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_param_atomicrad.f90.o -c ../src/param/atomicrad.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [48/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_mctc_filetools.f90.o -c ../src/mctc/mctc_filetools.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/mctc_filetools.f90:140:38: 140 | character(len=:),allocatable :: tmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [49/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_param_covalentradd3.f90.o -c ../src/param/covalentradd3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [50/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_blas_wrap3.f90.o -c ../src/mctc/blas/wrap3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/blas/wrap3.f90:77:41: 77 | subroutine mctc_sgemm233(amat, bmat, cmat, transa, transb, alpha, beta) | 1 Warning: Unused dummy argument ‘cmat’ at (1) [-Wunused-dummy-argument] ../src/mctc/blas/wrap3.f90:61:31: 61 | character(len=1) :: tra, trb | 1 Warning: Unused variable ‘trb’ declared at (1) [-Wunused-variable] [51/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_param_paulingen.f90.o -c ../src/param/paulingen.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [52/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_param_sqrtzr4r2.f90.o -c ../src/param/sqrtzr4r2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [53/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_param_vdwradd3.f90.o -c ../src/param/vdwradd3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [54/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_blas.f90.o -c ../src/mctc/blas.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [55/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_param_vdwradcosmo.f90.o -c ../src/param/vdwradcosmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [56/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_dftd4_parameters.f90.o -c ../src/disp/dftd4_parameters.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [57/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_cm5.f90.o -c ../src/solv/cm5.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/cm5.f90:34:25: 34 | real(wp) :: dist,bkk,bkkd,bkkda | 1 Warning: Unused variable ‘bkkd’ declared at (1) [-Wunused-variable] [58/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_mctc_strings.f90.o -c ../src/mctc/mctc_strings.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [59/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_born.f90.o -c ../src/solv/born.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/born.f90:141:34: 141 | real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12 | 1 Warning: Unused variable ‘rh2’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:27: 70 | real(wp) :: th, ch, alpi, beti, gami | 1 Warning: Unused variable ‘alpi’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:33: 70 | real(wp) :: th, ch, alpi, beti, gami | 1 Warning: Unused variable ‘beti’ declared at (1) [-Wunused-variable] ../src/solv/born.f90:70:39: 70 | real(wp) :: th, ch, alpi, beti, gami | 1 Warning: Unused variable ‘gami’ declared at (1) [-Wunused-variable] In function ‘__xtb_solv_born_MOD_compute_psi’, inlined from ‘__xtb_solv_born_MOD_compute_bornr’ at ../src/solv/born.f90:72:71: ../src/solv/born.f90:305:48: warning: ‘r1’ may be used uninitialized [-Wmaybe-uninitialized] 305 | dgj = -2.0_wp*rhab/ab+(rhab-lnab)*r1*r1 | ^ ../src/solv/born.f90: In function ‘__xtb_solv_born_MOD_compute_bornr’: ../src/solv/born.f90:141:38: note: ‘r1’ was declared here 141 | real(wp) :: rh1, rhr1, r24, rh2, r1, aprh1, r12 | ^ [60/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_state.f90.o -c ../src/solv/state.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [61/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_sasa.f90.o -c ../src/solv/sasa.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/sasa.f90:156:21: 156 | real(wp) :: uj,uj3,ah3uj2 | 1 Warning: Unused variable ‘uj3’ declared at (1) [-Wunused-variable] ../src/solv/sasa.f90:76:22: 76 | integer :: iat, jat, ip, jj, nnj, nnk, nni, nno | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/solv/sasa.f90:76:40: 76 | integer :: iat, jat, ip, jj, nnj, nnk, nni, nno | 1 Warning: Unused variable ‘nnk’ declared at (1) [-Wunused-variable] [62/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_kernel.f90.o -c ../src/solv/kernel.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/kernel.f90:731:31: 731 | real(wp) :: r1, ab, arg, eab, fgb, dfgb, bp | 1 Warning: Unused variable ‘eab’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:677:30: 677 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:678:28: 678 | real(wp) :: dd, expd, fgb, fgb2, dfgb | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:677:25: 677 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:672:24: 672 | integer :: i, j, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:618:30: 618 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:618:34: 618 | real(wp) :: aa, r2, gg, arg, bp | 1 Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:613:24: 613 | integer :: i, j, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:26: 527 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:33: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:525:33: 525 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:22: 527 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:525:24: 525 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:527:17: 527 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:520:19: 520 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:520:23: 520 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:526:52: 526 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:24: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:28: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:528:20: 528 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:423:26: 423 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:33: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:421:33: 421 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:416:19: 416 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:416:23: 416 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:24: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:28: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:424:20: 424 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:311:54: 311 | real(wp) :: dEdbri, dEdbrj, dG(3), ap, bp, dS(3, 3) | 1 Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:310:61: 310 | real(wp) :: vec(3), r2, r1, ab, arg1, arg16, qq, fgb, fgb2, dfgb, dfgb2, egb | 1 Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:36: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:208:37: 208 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:210:23: 210 | real(wp) :: gg, expa | 1 Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:208:26: 208 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:210:17: 210 | real(wp) :: gg, expa | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:204:21: 204 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:204:26: 204 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:209:65: 209 | real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg | 1 Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:25: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:30: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:211:20: 211 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:36: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:100:37: 100 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:101:40: 101 | real(wp) :: qq, dd, expd, dfgb, dfgb2, dfgb3, egb, ap, bp, qfg | 1 Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:100:32: 100 | real(wp) :: aa, r2, fgb, fgb2, br3 | 1 Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:96:21: 96 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:96:26: 96 | integer :: i, j, k, nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:25: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:30: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/kernel.f90:103:20: 103 | real(wp) :: r0vdw, r01, r02, ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] [63/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_input.F90.o -c ../src/solv/input.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/solv/input.F90:90:0: 90 | function pgiWrapper(solvent, alpb, kernel, state, temperature, nAng, & | Warning: ‘pgiwrapper’ defined but not used [-Wunused-function] [64/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_atomlist.f90.o -c ../src/type/atomlist.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/atomlist.f90:348:42: 348 | character(len=:), allocatable :: buffer | 1 Warning: Unused variable ‘buffer’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:349:34: 349 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:350:26: 350 | integer :: pos, last, n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:274:15: 274 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:256:15: 256 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:248:15: 248 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:230:15: 230 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/atomlist.f90:165:76: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iomsg’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:165:53: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:165:61: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:54: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘iotype’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:62: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | 1 Warning: Unused dummy argument ‘v_list’ at (1) [-Wunused-dummy-argument] ../src/type/atomlist.f90:153:35: 153 | subroutine atomlist_write_formatted(self, unit, iotype, v_list, iostat, iomsg) | ^ Warning: ‘atomlist_write_formatted’ defined but not used [-Wunused-function] ../src/type/atomlist.f90:165:34: 165 | subroutine atomlist_read_formatted(self, unit, iotype, v_list, iostat, iomsg) | ^ Warning: ‘atomlist_read_formatted’ defined but not used [-Wunused-function] [65/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_basisset.f90.o -c ../src/type/basisset.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [66/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_buffer.f90.o -c ../src/type/buffer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [67/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_dispersion_model.f90.o -c ../src/type/dispersion_model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [68/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_fragments.f90.o -c ../src/type/fragments.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [69/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_topology.f90.o -c ../src/gfnff/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/topology.f90:152:0: 152 | 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] [70/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_iohandler.f90.o -c ../src/type/iohandler.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [71/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_ddcosmo_core.f90.o -c ../src/solv/ddcosmo/core.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:1395:48: 1395 | real(wp) :: vvij2, vvij, tij, xij, oij, stslm, stslm2, stslm3 | 1 Warning: Unused variable ‘stslm’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1395:56: 1395 | real(wp) :: vvij2, vvij, tij, xij, oij, stslm, stslm2, stslm3 | 1 Warning: Unused variable ‘stslm2’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1395:64: 1395 | real(wp) :: vvij2, vvij, tij, xij, oij, stslm, stslm2, stslm3 | 1 Warning: Unused variable ‘stslm3’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1242:38: 1242 | real(wp) :: b, g1, g2, vvjk, tjk, f, xjk | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:38: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘d2’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:18: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘fac’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:17: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:52: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘igrid’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:29: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:59: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘inear’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:167:21: 167 | integer :: istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:22: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:66: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘jnear’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:166:34: 166 | integer :: iat, jat, i, ii, lnl, l, ind, m, igrid, inear, jnear | 1 Warning: Unused variable ‘lnl’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:42: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:66: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘swthr’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:55: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:48: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:52: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘vv’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:168:59: 168 | real(wp) :: fac, fl, ffl, fnorm, d2, r2, v(3), vv, t, xt, swthr | 1 Warning: Unused variable ‘xt’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/core.f90:1133:17: 1133 | subroutine header(self) | ^ Warning: ‘header’ defined but not used [-Wunused-function] ../src/solv/ddcosmo/core.f90:1462:22: 1462 | pure subroutine ddmkxi(self, s, xi) | ^ Warning: ‘ddmkxi’ defined but not used [-Wunused-function] [72/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_shake_module.f90.o -c ../src/gfnff/shake_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:66:20: 66 | real*8 vel(3) | 1 Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:64:22: 64 | real*8 virsh(3),tstep | 1 Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:32:35: 32 | subroutine init_shake(nat,at,xyz,topo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/shake_module.f90:43:41: 43 | integer list(nat*(nat+1)/2),lin,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:39:29: 39 | integer :: iat,jat,i,j,jmin | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:39:34: 39 | integer :: iat,jat,i,j,jmin | 1 Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:43:38: 43 | integer list(nat*(nat+1)/2),lin,ij | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:43:34: 43 | integer list(nat*(nat+1)/2),lin,ij | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:24: 40 | real*8 :: minrij,rij,wthr | 1 Warning: Unused variable ‘minrij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:28: 40 | real*8 :: minrij,rij,wthr | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:38:30: 38 | real*8 :: wbo(nat,nat) | 1 Warning: Unused variable ‘wbo’ declared at (1) [-Wunused-variable] ../src/gfnff/shake_module.f90:40:33: 40 | real*8 :: minrij,rij,wthr | 1 Warning: Unused variable ‘wthr’ declared at (1) [-Wunused-variable] [73/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gdisp0.f90.o -c ../src/gfnff/gdisp0.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gdisp0.f90:103:36: 103 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:43:36: 43 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/gfnff/gdisp0.f90:28:28: 28 | subroutine weight_references(nat, atoms, wf, cn, gwvec, gwdcn) | ^ Warning: ‘weight_references’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:147:24: 147 | subroutine get_atomic_c6(nat, atoms, gwvec, gwdcn, c6, dc6dcn) | ^ Warning: ‘get_atomic_c6’ defined but not used [-Wunused-function] ../src/gfnff/gdisp0.f90:349:43: 349 | real(wp) pure elemental function pair_scale(iat, jat) result(scale) | ^ Warning: ‘pair_scale’ defined but not used [-Wunused-function] [74/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_environment.f90.o -c ../src/type/environment.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/environment.f90:245:17: 245 | subroutine getLog(self, message) | 1 Warning: ‘getlog’ declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] ../src/type/environment.f90:254:22: 254 | logical :: isError0 | 1 Warning: Unused variable ‘iserror0’ declared at (1) [-Wunused-variable] ../src/type/environment.f90:196:18: 196 | integer :: iLog | 1 Warning: Unused variable ‘ilog’ declared at (1) [-Wunused-variable] [75/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gfnff_param.f90.o -c ../src/gfnff/gfnff_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_param.f90:354:31: 354 | subroutine gfnff_set_param(n, gen, param) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] [76/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_options.f90.o -c ../src/type/options.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [77/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_gst.f90.o -c ../src/mctc/lapack/gst.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [78/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_coulomb_ewald.f90.o -c ../src/coulomb/ewald.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/ewald.f90:389:36: 389 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:321:36: 321 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] ../src/coulomb/ewald.f90:239:36: 239 | character(len=100) :: errorString | 1 Warning: Unused variable ‘errorstring’ declared at (1) [-Wunused-variable] [79/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_ddcosmo_solver.f90.o -c ../src/solv/ddcosmo/solver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/ddcosmo/solver.f90:532:26: 532 | integer :: iat, istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/solver.f90:528:34: 528 | real(wp) function hnorm(ddCosmo, n, x) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:509:32: 509 | pure subroutine ldm1x(ddCosmo, n, x, y) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:466:30: 466 | integer :: iat, ig, istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/solver.f90:459:28: 459 | subroutine lstarx(ddCosmo, n, x, y) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:425:26: 425 | integer :: iat, istatus | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/ddcosmo/solver.f90:418:24: 418 | subroutine lx(ddCosmo, n, x, y) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/solv/ddcosmo/solver.f90:89:31: 89 | integer :: it, nmat, istatus, lenb | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] In function ‘__xtb_solv_ddcosmo_solver_MOD_diis’, inlined from ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’ at ../src/solv/ddcosmo/solver.f90:144:65: ../src/solv/ddcosmo/solver.f90:241:35: warning: ‘bmat.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 241 | call makeb(n, nmat, ndiis, e, b) | ^ ../src/solv/ddcosmo/solver.f90: In function ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’: ../src/solv/ddcosmo/solver.f90:93:75: note: ‘bmat.dim[0].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ ../src/solv/ddcosmo/solver.f90:93:75: warning: ‘bmat.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] ../src/solv/ddcosmo/solver.f90:140:56: warning: ‘e_diis.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 140 | x_diis(:, nmat) = reshape(x_new, [size(x_new)]) | ^ ../src/solv/ddcosmo/solver.f90:93:63: note: ‘e_diis.dim[0].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ ../src/solv/ddcosmo/solver.f90:140:56: warning: ‘e_diis.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] 140 | x_diis(:, nmat) = reshape(x_new, [size(x_new)]) | ^ ../src/solv/ddcosmo/solver.f90:93:63: note: ‘e_diis.dim[1].stride’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ In function ‘__xtb_solv_ddcosmo_solver_MOD_diis’, inlined from ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’ at ../src/solv/ddcosmo/solver.f90:144:65: ../src/solv/ddcosmo/solver.f90:208:36: warning: ‘e_diis.dim[1].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 208 | subroutine diis(n, nmat, ndiis, x, e, b, xnew) | ^ ../src/solv/ddcosmo/solver.f90: In function ‘__xtb_solv_ddcosmo_solver_MOD_jacobi_diis’: ../src/solv/ddcosmo/solver.f90:93:63: note: ‘e_diis.dim[1].ubound’ was declared here 93 | real(wp), allocatable :: y(:, :), x_diis(:, :), e_diis(:, :), bmat(:, :) | ^ [80/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_trf.f90.o -c ../src/mctc/lapack/trf.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/lapack/trf.f90:393:47: 393 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1 Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] ../src/mctc/lapack/trf.f90:362:47: 362 | integer :: info, n, stat_alloc, stat_dealloc, nn | 1 Warning: Unused variable ‘stat_dealloc’ declared at (1) [-Wunused-variable] [81/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_mctc_global.F90.o -c ../src/mctc/mctc_global.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [82/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_frag_hess.f90.o -c ../src/gfnff/frag_hess.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/frag_hess.f90:216:36: 216 | rmaxab(atj, ati) = jab(lin(atj, ati))/1.2 | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/frag_hess.f90:501:19: 51 | subroutine eigsort4(lab,ew,u) | 2 ...... 501 | subroutine eigsort4(lab,u,ew) | 1 Warning: INTENT mismatch in argument 'lab' between (1) and (2) ../src/gfnff/frag_hess.f90:361:47: 361 | integer :: i,j,ii,jj,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:95:43: 95 | integer :: assigned_to_frag(nspin) | 1 Warning: Unused variable ‘assigned_to_frag’ declared at (1) [-Wunused-variable] ../src/gfnff/frag_hess.f90:532:24: 532 | pure subroutine com(n,at,xyz,sum3) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [83/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_tri.f90.o -c ../src/mctc/lapack/tri.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [84/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_mctc_init.F90.o -c ../src/mctc/mctc_init.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [85/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_error.f90.o -c ../src/mctc/error.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/mctc/error.f90:69:29: 69 | subroutine xtb_wsigint(signal) bind(c) | 1 Warning: Unused dummy argument ‘signal’ at (1) [-Wunused-dummy-argument] ../src/mctc/error.f90:78:30: 78 | subroutine xtb_wsigterm(signal) bind(c) | 1 Warning: Unused dummy argument ‘signal’ at (1) [-Wunused-dummy-argument] [86/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_param.f90.o -c ../src/type/param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [87/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_trs.f90.o -c ../src/mctc/lapack/trs.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [88/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_eigensolve.F90.o -c ../src/mctc/lapack/eigensolve.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [89/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_pcem.f90.o -c ../src/type/pcem.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [90/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_reader.F90.o -c ../src/type/reader.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [91/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_solvation.f90.o -c ../src/type/solvation.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [92/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_timer.f90.o -c ../src/type/timer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:70:23: 70 | real(wp) :: time_cpu | 1 Warning: Unused variable ‘time_cpu’ declared at (1) [-Wunused-variable] ../src/type/timer.f90:71:24: 71 | real(wp) :: time_wall | 1 Warning: Unused variable ‘time_wall’ declared at (1) [-Wunused-variable] [93/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_neighbourlist.f90.o -c ../src/type/neighbourlist.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [94/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack_wrap.f90.o -c ../src/mctc/lapack/wrap.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [95/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_lebedev.f90.o -c ../src/solv/lebedev.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [96/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_lapack.f90.o -c ../src/mctc/lapack.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [97/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_setvar.f90.o -c ../src/type/setvar.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [98/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_topology.f90.o -c ../src/type/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/topology.f90:122:31: 122 | integer :: pos, last, length | 1 Warning: Unused variable ‘length’ declared at (1) [-Wunused-variable] ../src/type/topology.f90:122:17: 122 | integer :: pos, last, length | 1 Warning: Unused variable ‘pos’ declared at (1) [-Wunused-variable] [99/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_wavefunction.f90.o -c ../src/type/wavefunction.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [100/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_freq_utils.f90.o -c ../src/freq/utils.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [101/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_math.f90.o -c ../src/mctc/math.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [102/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_restart.F90.o -c ../src/type/restart.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [103/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_tblite_restart.F90.o -c ../src/tblite/restart.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/tblite/restart.F90:79:31: 79 | subroutine dumpRestart(env, chk, fname) | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:79:38: 79 | subroutine dumpRestart(env, chk, fname) | 1 Warning: Unused dummy argument ‘fname’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:34:31: 34 | subroutine loadRestart(env, chk, fname, success) | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:34:38: 34 | subroutine loadRestart(env, chk, fname, success) | 1 Warning: Unused dummy argument ‘fname’ at (1) [-Wunused-dummy-argument] ../src/tblite/restart.F90:34:47: 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] [104/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mctc_linalg.f90.o -c ../src/mctc/linalg.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:306:34: 306 | real(dp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/mctc/linalg.f90:271:34: 271 | real(sp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] [105/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_wignerseitzcell.f90.o -c ../src/type/wignerseitzcell.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/wignerseitzcell.f90:121:30: 121 | integer :: iTr, iAt, iAtOld, jAt, jAtEnd, iWs, nWs | 1 Warning: Unused variable ‘iatold’ declared at (1) [-Wunused-variable] ../src/type/wignerseitzcell.f90:122:37: 122 | real(wp) :: ri(3), dist2, trans(3), wsWeight | 1 Warning: Unused variable ‘trans’ declared at (1) [-Wunused-variable] [106/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_wsc.f90.o -c ../src/type/wsc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [107/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_vendordata.f90.o -c ../src/type/vendordata.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [108/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_anharmlib.f90.o -c ../src/anharmlib.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/anharmlib.f90:34:27: 34 | integer i,j,k,kk,mem,it1,it2,icall | 1 Warning: Unused variable ‘it1’ declared at (1) [-Wunused-variable] ../src/anharmlib.f90: In function ‘__xtb_anharmlib_MOD_curveanal’: ../src/anharmlib.f90:82:45: warning: ‘mem’ may be used uninitialized [-Wmaybe-uninitialized] 82 | ityp(k)=2+int(sign(1.0d0,yy2(list(k)))) | ^ ../src/anharmlib.f90:34:23: note: ‘mem’ was declared here 34 | integer i,j,k,kk,mem,it1,it2,icall | ^ [109/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_aoparam.f90.o -c ../src/aoparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [110/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_approxrab.f90.o -c ../src/approxrab.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/approxrab.f90:216:17: 216 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:216:21: 216 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:200:35: 200 | pure subroutine approx_rab(n,at,xyz,cn,dcndr,nsrb,srblist,shift,rab,grab) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/approxrab.f90:163:17: 163 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:163:21: 163 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:162:19: 162 | integer :: i,j,k,m | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:162:21: 162 | integer :: i,j,k,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:168:21: 168 | real(wp) :: ff,tmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:17: 117 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:117:21: 117 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:116:21: 116 | integer :: i,j,k,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/approxrab.f90:98:39: 98 | pure subroutine pbc_approx_rab(n,at,xyz,cn,dcndr,dcndL,nsrb,srblist,shift, & | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] [111/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_basic_geo.f90.o -c ../src/basic_geo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/basic_geo.f90:380:27: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:380:32: 380 | real(wp) vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:18: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:259:22: 259 | real(wp) rab,rbc,thab,thbc,valijk | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:260:34: 260 | real(wp) vecnorm,nan,nbn,rcn,snanb,deter,test | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:41: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1 Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:102:46: 102 | real(wp) sinphi,cosphi,onenner,thab,thbc | 1 Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/basic_geo.f90:107:51: 107 | real(wp) xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1 Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] [112/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_cosmo.f90.o -c ../src/solv/cosmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/cosmo.f90:829:41: 829 | subroutine writeCosmoFile(self, unit, num, sym, xyz, qat, energy) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:804:18: 804 | real(wp) rcutn2, srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:713:29: 713 | integer :: iat, ig, ii, c1, c2, cr | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:713:33: 713 | integer :: iat, ig, ii, c1, c2, cr | 1 Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:713:37: 713 | integer :: iat, ig, ii, c1, c2, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:716:69: 716 | real(wp), allocatable :: xi(:, :), phiexp(:, :), zeta(:), ef(:, :) | 1 Warning: Unused variable ‘ef’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:714:18: 714 | real(wp) :: fep | 1 Warning: Unused variable ‘fep’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:716:59: 716 | real(wp), allocatable :: xi(:, :), phiexp(:, :), zeta(:), ef(:, :) | 1 Warning: Unused variable ‘zeta’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:640:44: 640 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:640:48: 640 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:640:52: 640 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:644:36: 644 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘g’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:640:40: 640 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:640:26: 640 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘istatus’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:641:26: 641 | real(wp) :: tol, r_norm | 1 Warning: Unused variable ‘r_norm’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:644:47: 644 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘rhs’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:644:59: 644 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:543:44: 543 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:543:48: 543 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘c2’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:543:52: 543 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:543:40: 543 | integer :: iat, istatus, n_iter, info, c1, c2, cr | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:544:26: 544 | real(wp) :: tol, r_norm | 1 Warning: Unused variable ‘r_norm’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:547:59: 547 | real(wp), allocatable :: g(:, :), rhs(:, :), work(:, :) | 1 Warning: Unused variable ‘work’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:395:27: 395 | real(wp) :: xx(1), esolv, keps | 1 Warning: Unused variable ‘esolv’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:368:37: 368 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:368:52: 368 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:395:20: 395 | real(wp) :: xx(1), esolv, keps | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/solv/cosmo.f90:368:42: 368 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:341:30: 341 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:341:35: 341 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘qat’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:341:40: 341 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:283:39: 283 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:283:64: 283 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:241:27: 241 | subroutine update(self, env, num, xyz) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/cosmo.f90:241:32: 241 | subroutine update(self, env, num, xyz) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [113/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_blowsy.f90.o -c ../src/blowsy.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [114/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_bfgs.f90.o -c ../src/bfgs.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bfgs.f90:131:37: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:50: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:131:44: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:105:28: 105 | subroutine powell(nat3,gnorm,grad,grado,dx,hess) | 1 Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:131:31: 131 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD | 1 Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:37: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:50: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘dampd’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:44: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘dampo’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:48:19: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘ddot’ declared at (1) [-Wunused-variable] ../src/bfgs.f90:20:26: 20 | subroutine bfgs(nat3,gnorm,grad,grado,dx,hess) | 1 Warning: Unused dummy argument ‘gnorm’ at (1) [-Wunused-dummy-argument] ../src/bfgs.f90:48:31: 48 | real(wp) :: ddot, thrs, scal, damp, dampO,dampD,thr | 1 Warning: Unused variable ‘scal’ declared at (1) [-Wunused-variable] [115/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_gbsa.f90.o -c ../src/solv/gbsa.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:1096:17: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:26: 1098 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘aii’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:45: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘ap’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:33: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘ar02’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:48: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘bp’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:33: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘br3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:20: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dd’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:30: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dfgb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:36: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dfgb2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:42: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘dfgb3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1101:20: 1101 | real(wp) :: dr(3),r | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:22: 1098 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘expa’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:25: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘expd’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:24: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:29: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘fgb2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1098:17: 1098 | real(wp) :: gg,expa,aii,egb | 1 Warning: Unused variable ‘gg’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1100:21: 1100 | real(wp) :: grddbi,grddbj | 1 Warning: Unused variable ‘grddbi’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1100:28: 1100 | real(wp) :: grddbi,grddbj | 1 Warning: Unused variable ‘grddbj’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:15: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:17: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:19: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1092:16: 1092 | integer :: kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1091:23: 1091 | integer :: i,j,k,nnj | 1 Warning: Unused variable ‘nnj’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:52: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘qfg’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1097:17: 1097 | real(wp) :: qq,dd,expd,dfgb,dfgb2,dfgb3,ap,bp,qfg | 1 Warning: Unused variable ‘qq’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1101:22: 1101 | real(wp) :: dr(3),r | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:24: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r01’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:28: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r02’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1099:20: 1099 | real(wp) :: r0vdw,r01,r02,ar02 | 1 Warning: Unused variable ‘r0vdw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1096:20: 1096 | real(wp) :: aa,r2,fgb,fgb2,br3 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1033:40: 1033 | pure subroutine addGradientHBond(nat, at, q, hbw, dhbdw, dsdrt, ghb, gradient) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:1012:26: 1012 | real(wp) :: hbed, dhbed | 1 Warning: Unused variable ‘dhbed’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:24: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘dsfw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1012:19: 1012 | real(wp) :: hbed, dhbed | 1 Warning: Unused variable ‘hbed’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1011:17: 1011 | integer :: iz, nhb | 1 Warning: Unused variable ‘iz’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1015:16: 1015 | integer :: j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1011:22: 1011 | integer :: iz, nhb | 1 Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1013:34: 1013 | real(wp) :: smaxd, sasad, sasaw | 1 Warning: Unused variable ‘sasaw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:18: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘sfw’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:36: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:32: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1014:28: 1014 | real(wp) :: sfw, dsfw, w3, w2, w1 | 1 Warning: Unused variable ‘w3’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1016:23: 1016 | real(wp) :: wbh, wah | 1 Warning: Unused variable ‘wah’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:1016:18: 1016 | real(wp) :: wbh, wah | 1 Warning: Unused variable ‘wbh’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:932:49: 932 | pure subroutine update_nnlist_gbsa_sequential(nat, ntpair, ppind, xyz, lrcut, & | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:948:18: 948 | real(wp) rcutn2, lrcut2, srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:851:18: 851 | real(wp) rcutn2, lrcut2, srcut2 | 1 Warning: Unused variable ‘rcutn2’ declared at (1) [-Wunused-variable] ../src/solv/gbsa.f90:603:32: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:603:37: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:603:52: 603 | subroutine addGradient(self, env, num, xyz, qat, qsh, gradient) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:555:35: 555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:555:45: 555 | subroutine getEnergyParts(self, env, qat, qsh, gborn, ghb, gsasa, gshift) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:528:30: 528 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:528:40: 528 | subroutine getEnergy(self, env, qat, qsh, energy) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:29: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:39: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘qsh’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:498:64: 498 | subroutine addShift(self, env, qat, qsh, atomicShift, shellShift) | 1 Warning: Unused dummy argument ‘shellshift’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:34: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:39: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:448:44: 448 | subroutine addBornMatrix(self, env, num, xyz, bornMat) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/solv/gbsa.f90:220:29: 220 | subroutine initBorn(self, env, num, vdwRad, dielectricConst, freeEnergyShift, & | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] [116/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gfnff_ini2.f90.o -c ../src/gfnff/gfnff_ini2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_ini2.f90:1609:23: 1609 | integer i,j,no,nc | 1 Warning: Unused variable ‘nc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1462:56: 1462 | integer i,ni,newi,j,newatom,tag,d,i1,ni1,iii,ii,jj,k,lin | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1326:30: 1326 | subroutine goedeckera(env,n,at,nb,pair,q,es,topo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1349:28: 1349 | real(wp) :: tsqrt2pi,bohr | 1 Warning: Unused variable ‘bohr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:30: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:22: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:33: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1342:24: 1342 | integer :: m,i,j,k,l,ii,jj,kk | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1343:20: 1343 | integer :: ij,lj | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1326:33: 1326 | subroutine goedeckera(env,n,at,nb,pair,q,es,topo) | 1 Warning: Unused dummy argument ‘nb’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1347:20: 1347 | real(wp) :: r2,r0 | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1346:27: 1346 | real(wp) :: gammij,sief1,sief2 | 1 Warning: Unused variable ‘sief1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1346:33: 1346 | real(wp) :: gammij,sief1,sief2 | 1 Warning: Unused variable ‘sief2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1298:24: 1298 | integer n,ii,k,j,m,i,sc1 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:47: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a10’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:37: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a7’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:40: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a8’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1147:43: 1147 | integer a1,a2,a3,a4,a5,a6,a7,a8,a9,a10 | 1 Warning: Unused variable ‘a9’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1140:25: 1140 | subroutine getring36(n,at,nbin,a0_in,cout,irout) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1152:21: 1152 | real*8 w(n),av,sd | 1 Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:47: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i10’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:37: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i7’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:40: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i8’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1145:43: 1145 | integer i1,i2,i3,i4,i5,i6,i7,i8,i9,i10 | 1 Warning: Unused variable ‘i9’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1151:64: 1151 | integer adum1(0:n),adum2(0:n),kk,j,idum(maxr),same(maxr),k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:47: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n10’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:37: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n7’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:40: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n8’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1146:43: 1146 | integer n0,n1,n2,n3,n4,n5,n6,n7,n8,n9,n10 | 1 Warning: Unused variable ‘n9’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1152:24: 1152 | real*8 w(n),av,sd | 1 Warning: Unused variable ‘sd’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1128:17: 1128 | integer ati,atj | 1 Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1128:21: 1128 | integer ati,atj | 1 Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1122:39: 1122 | subroutine hbonds(i,j,ci,cj,param,topo) | 1 Warning: Unused dummy argument ‘param’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1065:28: 1065 | subroutine gfnff_hbset0(n,at,xyz,sqrab,topo,nhb1,nhb2,nxb,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:1079:25: 1079 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:1065:32: 1065 | subroutine gfnff_hbset0(n,at,xyz,sqrab,topo,nhb1,nhb2,nxb,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:818:27: 818 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:818:65: 818 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:830:25: 830 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:818:31: 818 | subroutine bond_hbset0(n,at,xyz,sqrab,bond_hbn,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:770:26: 770 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:770:73: 770 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘hbthr2’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:783:25: 783 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:770:30: 770 | subroutine bond_hbset(n,at,xyz,sqrab,bond_hbn,bond_hbl,topo,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:697:27: 697 | subroutine gfnff_hbset(n,at,xyz,sqrab,topo,nlist,hbthr1,hbthr2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:709:25: 709 | integer i,j,k,nh,ia,ix,lin,ij,inh,jnh | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:440:32: 440 | subroutine ringsatom(n,i,c,s,rings) | 1 Warning: Unused dummy argument ‘c’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_ini2.f90:442:21: 442 | integer n,i,k,l,c(10,20,n),s(20,n),rings,rings1 | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:442:53: 442 | integer n,i,k,l,c(10,20,n),s(20,n),rings,rings1 | 1 Warning: Unused variable ‘rings1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:58:20: 58 | real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86) | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:53:25: 53 | logical etacoord,da,strange_iat,metal_iat | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:58:22: 58 | real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86) | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:67: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘hc_crit’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:17: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:29: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:53:47: 53 | logical etacoord,da,strange_iat,metal_iat | 1 Warning: Unused variable ‘metal_iat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:26: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:56:79: 56 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin,ati,nb20i,nbdiff,hc_crit,nbmdiff,nnf,nni,nh,nm | 1 Warning: Unused variable ‘nnf’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:58:14: 58 | real*8 r,pi,a1,f,f1,phi,f2,rco,fat(86) | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini2.f90:53:37: 53 | logical etacoord,da,strange_iat,metal_iat | 1 Warning: Unused variable ‘strange_iat’ declared at (1) [-Wunused-variable] [117/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_broyden.f90.o -c ../src/broyden.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:62:18: 62 | real(wp) tmp(n) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [118/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_data.f90.o -c ../src/xtb/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/data.f90:690:42: 690 | integer :: nElem, iZp, iSh, lAng, iKind | 1 Warning: Unused variable ‘ikind’ declared at (1) [-Wunused-variable] ../src/xtb/data.f90:619:35: 619 | subroutine initCoulomb(self, nShell, chemicalHardness, shellHardness, & | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/xtb/data.f90:368:36: 368 | subroutine writeInfo(self, unit, num) | 1 Warning: Unused dummy argument ‘num’ at (1) [-Wunused-dummy-argument] [119/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_constrain_pot.f90.o -c ../src/constrain_pot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:284:42: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:47: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:52: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:265:38: 265 | subroutine constrain_dihedral(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:282:13: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:13: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:58: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:68: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:50: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:66: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:58: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:50: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:32: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:21: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:52: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:57: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:13: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:16: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:19: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:61: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:62: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:69: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:283:47: 283 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,ff,dum1,dum2 | 1 Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:28: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ffc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:24: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:40: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:18: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:46: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:23: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:17: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:38: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:44: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:53: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:25: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:31: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:37: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:29: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:16: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:35: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vab’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:22: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:28: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:280:42: 280 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vcb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:282:66: 282 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:279:34: 279 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:284:57: 284 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:54: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:42: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:47: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:52: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:208:35: 208 | subroutine constrain_angle(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:224:68: 224 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:17: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:24: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:31: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:223:38: 223 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:21: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:13: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:16: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:19: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:62: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:69: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:28: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ffc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:220:18: 220 | integer i,j,k,l,m,mm | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:24: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:40: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:46: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:221:17: 221 | real(wp)rij(3),dum,r0,ffc,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:25: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:31: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:37: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:224:66: 224 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:225:57: 225 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:54: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:42: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:47: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:52: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘abcz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:165:34: 165 | subroutine constrain_dist(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:180:13: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘c0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:13: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:58: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘cosa’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:17: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:24: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:31: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:179:38: 179 | real(wp)dda(3),ddb(3),ddc(3),ddd(3) | 1 Warning: Unused variable ‘ddd’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:50: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘deda’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:66: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:58: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘dedc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:50: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘deddt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:44: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dij’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:28: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:32: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘dt’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:60: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:13: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:16: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:19: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:61: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘ea’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:62: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expo’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:69: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘expom1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:176:16: 176 | integer i,j,k,l,m,mm | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:176:18: 176 | integer i,j,k,l,m,mm | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:22: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:18: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:177:38: 177 | real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘ra’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:18: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:177:44: 177 | real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘rb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:23: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:38: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:44: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rmul2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:53: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘rp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:25: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termx’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:31: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termy’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:37: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘termz’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:29: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘theta’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:16: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘va’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:35: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vab’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:52: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:22: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:28: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vc’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:178:42: 178 | real(wp)va(3),vb(3),vc(3),vab(3),vcb(3),deda(3),dedc(3),dedb(3) | 1 Warning: Unused variable ‘vcb’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:180:66: 180 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:177:32: 177 | real(wp)rij(3),dum,r0,r,vp(3),ra(3),rb(3) | 1 Warning: Unused variable ‘vp’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:34: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:181:40: 181 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:182:57: 182 | real(wp)dx,dy,dz,termx,termy,termz,abcx,abcy,abcz,a,z0,expo,expom1 | 1 Warning: Unused variable ‘z0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:88:29: 88 | subroutine qpothess2(fix,n,at,xyz,h) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:99:40: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘dy2’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:20: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:17: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:23: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:99:26: 99 | real(wp) :: t1,t0,w0,w1,dx,dx2,dy,dy2,r,r2,r3 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/constrain_pot.f90:46:33: 46 | subroutine constrain_pos(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_pot.f90:20:35: 20 | subroutine constrain_zaxis(fix,n,at,xyz,g,e) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [120/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_multipole.f90.o -c ../src/xtb/multipole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [121/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_thirdorder.f90.o -c ../src/xtb/thirdorder.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [122/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_cqpath.f90.o -c ../src/cqpath.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:512:37: 512 | subroutine cqpath_read_pathfile(fn,nl,nat,nstr,file_xyz,iat,energy) | 1 Warning: Unused dummy argument ‘nl’ at (1) [-Wunused-dummy-argument] ../src/cqpath.f90:521:26: 521 | integer :: i,j,k,sr,so,x,nn | 1 Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:16: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:18: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘c’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:490:20: 490 | real(8) :: b,c,d | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:487:19: 487 | integer :: i,so,sr | 1 Warning: Unused variable ‘so’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:17: 344 | real(8) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:344:23: 344 | real(8) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:350:18: 350 | integer :: i,j,nf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:14: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:17: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:20: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:23: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:26: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:345:29: 345 | real(8) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:128:39: 128 | subroutine cqpath_repos(n,m_repos,x,e,g,x2) | 1 Warning: Unused dummy argument ‘g’ at (1) [-Wunused-dummy-argument] ../src/cqpath.f90:45:28: 45 | real(8) :: strecke_X_inc, temp_strecke_X | 1 Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable] ../src/cqpath.f90:45:44: 45 | real(8) :: strecke_X_inc, temp_strecke_X | 1 Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable] ../src/cqpath.f90: In function ‘__xtb_cqpath_MOD_cqpath_repos’: ../src/cqpath.f90:261:45: warning: ‘x_wert’ may be used uninitialized [-Wmaybe-uninitialized] 261 | x_wert = x_wert + x_schritt*e2(i) | ^ ../src/cqpath.f90:151:18: note: ‘x_wert’ was declared here 151 | real(8) x_wert, x_anfang, x_ende, x_schritt | ^ [123/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_david2.f90.o -c ../src/david2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/david2.f90:250:35: 250 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david2.f90:241:42: 241 | integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2 | 1 Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable] ../src/david2.f90:239:24: 239 | integer iter,ineue(1),janf!,lun1,lun2 | 1 Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable] ../src/david2.f90:239:29: 239 | integer iter,ineue(1),janf!,lun1,lun2 | 1 Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable] ../src/david2.f90:240:49: 240 | integer iideks(maxiter),idum,j,jalt,ilauf,jneu | 1 Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable] ../src/david2.f90:250:52: 250 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david2.f90:52:35: 52 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david2.f90:45:42: 45 | integer l1,l2,k,LWORK,LIWORK,INFO,i,ien,ialt,memlun2 | 1 Warning: Unused variable ‘ien’ declared at (1) [-Wunused-variable] ../src/david2.f90:43:24: 43 | integer iter,ineue(1),janf,lun1,lun2 | 1 Warning: Unused variable ‘ineue’ declared at (1) [-Wunused-variable] ../src/david2.f90:43:29: 43 | integer iter,ineue(1),janf,lun1,lun2 | 1 Warning: Unused variable ‘janf’ declared at (1) [-Wunused-variable] ../src/david2.f90:44:49: 44 | integer iideks(maxiter),idum,j,jalt,ilauf,jneu | 1 Warning: Unused variable ‘jneu’ declared at (1) [-Wunused-variable] ../src/david2.f90:52:52: 52 | real(wp), allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] [124/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_gfn1.f90.o -c ../src/xtb/gfn1.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn1.f90:710:27: 710 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:636:17: 636 | integer :: iZp, iSh, jSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:635:33: 635 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:635:27: 635 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn1.f90:637:27: 637 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] [125/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_define.f90.o -c ../src/define.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [126/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_charge_model.f90.o -c ../src/charge_model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [127/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_coulomb.f90.o -c ../src/xtb/coulomb.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [128/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_elem.f90.o -c ../src/elem.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [129/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_eqrot.f90.o -c ../src/eqrot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [130/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_expire.f90.o -c ../src/expire.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [131/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_features.F90.o -c ../src/features.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [132/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_foden.f90.o -c ../src/foden.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [133/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_fixparam.f90.o -c ../src/fixparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:86:30: 86 | integer :: i,ii,j,k,l,m,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] [134/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_fragment.f90.o -c ../src/fragment.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/fragment.f90:75:39: 75 | integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n) | 1 Warning: Unused variable ‘iring’ declared at (1) [-Wunused-variable] ../src/fragment.f90:75:24: 75 | integer i,n,j,at(n),k,nb(20,n),iring,c(8,n),s(n) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [135/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfn0param.f90.o -c ../src/gfn0param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [136/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_drsp.f.o -c ../src/drsp.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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:418:31: 418 | SUBROUTINE TRBAK3(NM,N,NV,A,M,Z) | 1 Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:502:40: 502 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘eps’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:502:44: 502 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘eta’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:502:27: 502 | SUBROUTINE TRED3(N,NV,A,D,E,E2,EPS,ETA) | 1 Warning: Unused dummy argument ‘nv’ at (1) [-Wunused-dummy-argument] ../src/drsp.f:60:18: 60 | real(wp) esp,eta | 1 Warning: Unused variable ‘esp’ declared at (1) [-Wunused-variable] ../src/drsp.f: In function ‘tqlrat_’: ../src/drsp.f:350:16: warning: ‘c’ may be used uninitialized [-Wmaybe-uninitialized] 350 | IF (E2(M) .LE. C) GO TO 40 | ^ ../src/drsp.f:347:10: note: ‘c’ was declared here 347 | C = B * B | ^ [137/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_getsymnum.f90.o -c ../src/getsymnum.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [138/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_ifind.f90.o -c ../src/ifind.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:22:16: note: ‘mem’ was declared here 22 | integer i,mem | ^ [139/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfn_prparam.f90.o -c ../src/gfn_prparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfn_prparam.f90:18:38: 18 | subroutine gfn1_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:84:38: 84 | subroutine gfn2_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] ../src/gfn_prparam.f90:142:38: 142 | subroutine gfn0_prparam(iunit,n,at,par) | 1 Warning: Unused dummy argument ‘par’ at (1) [-Wunused-dummy-argument] [140/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_header.f90.o -c ../src/header.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [141/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_david.f.o -c ../src/david.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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:653:21: 653 | integer i,m,mp1 | 1 Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable] ../src/david.f:328:17: 328 | integer i,m,mp1 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/david.f:328:21: 328 | integer i,m,mp1 | 1 Warning: Unused variable ‘mp1’ declared at (1) [-Wunused-variable] ../src/david.f:60:36: 60 | real*8, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david.f:60:53: 60 | real*8, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david.f:385:36: 385 | real*4, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/david.f:385:53: 385 | real*4, allocatable :: AB(:,:),av(:),tmpav(:,:) | 1 Warning: Unused variable ‘tmpav’ declared at (1) [-Wunused-variable] ../src/david.f: In function ‘ddavid_’: ../src/david.f:54:72: warning: ‘memlun2’ may be used uninitialized [-Wmaybe-uninitialized] 54 | integer lauf,l1,l2,k,LWORK,LIWORK,INFO,ianf,i,ien,ico,ialt,memlun2 | ^ ../src/david.f: In function ‘sdavid_’: ../src/david.f:379:72: warning: ‘memlun2’ may be used uninitialized [-Wmaybe-uninitialized] 379 | integer lauf,l1,l2,k,LWORK,LIWORK,INFO,ianf,i,ien,ico,ialt,memlun2 | ^ [142/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_lin.f90.o -c ../src/lin.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [143/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_lin_mod.f90.o -c ../src/lin_mod.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [144/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_lindh.f90.o -c ../src/lindh.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:165:51: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘eij’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:46: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘eijk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:67: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘ejk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:28: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘ekl’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:43: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:37: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:165:59: 165 | Real*8 Bt(3,nCent), xyz(3,nCent), Rij(3), Eij(3), Rjk(3), Ejk(3),& | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/lindh.f90:166:20: 166 | & Rkl(3), Ekl(3), Rijk(3), Eijk(3), dBt(3,nCent,3,nCent),& | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] [145/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_solv_model.f90.o -c ../src/solv/model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/solv/model.f90:187:19: 187 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [146/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_halogen.f90.o -c ../src/xtb/halogen.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/halogen.f90:47:20: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘el’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:47:17: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘er’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:44:15: 44 | integer :: m,k,AA,B,X,ati,atj | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:33:26: 33 | subroutine xbpot(halData,n,at,xyz,xblist,nxb,a,exb,g) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/xtb/halogen.f90:47:25: 47 | real(wp) :: er,el,step,dxa(3),dxb(3),dba(3),dcosterm | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/halogen.f90:45:34: 45 | real(wp) :: cc,r0ax,t13,t14,t16 | 1 Warning: Unused variable ‘t16’ declared at (1) [-Wunused-variable] [147/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_intpack.f90.o -c ../src/intpack.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intpack.f90:1436:29: 1436 | integer u,v,w,uvwt,rstt,uvwth | 1 Warning: Unused variable ‘rstt’ declared at (1) [-Wunused-variable] ../src/intpack.f90:1005:34: 1005 | pure subroutine opad1(l,m,n,ga,v,d) | 1 Warning: Unused dummy argument ‘d’ at (1) [-Wunused-dummy-argument] ../src/intpack.f90:38:24: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/intpack.f90:38:36: 38 | real(wp) :: e(3),d(3),olap3,efact,val | 1 Warning: Unused variable ‘efact’ declared at (1) [-Wunused-variable] [148/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_freq_io.f90.o -c ../src/freq/io.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/freq/io.f90:84:28: 84 | character(len=5) :: adum | 1 Warning: Unused variable ‘adum’ declared at (1) [-Wunused-variable] [149/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_dtrafo.f90.o -c ../src/dtrafo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dtrafo.f90:248:24: 248 | integer i,j,k,ii,jj,kk,iii,jjj,li,lj,mm,nn,m,n | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/dtrafo.f90:34:24: 34 | integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/dtrafo.f90:34:36: 34 | integer i,j,k,ii,jj,kk,iii,jjj,lin,li,lj,mm,nn,m,n | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] [150/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_locmode.f90.o -c ../src/locmode.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/locmode.f90:22:26: 22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/locmode.f90:32:49: 32 | real(wp),allocatable:: d(:,:),u(:,:),bmat(:,:),rr(:), fl2(:) | 1 Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:29: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:42: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/locmode.f90:29:57: 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/locmode.f90:30:41: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1 Warning: Unused variable ‘tors’ declared at (1) [-Wunused-variable] ../src/locmode.f90:30:32: 30 | real(wp) dum1,dum2,dd,vtyp(3),tors(n3) | 1 Warning: Unused variable ‘vtyp’ declared at (1) [-Wunused-variable] ../src/locmode.f90:22:30: 22 | subroutine locmode(n,n3,at,xyz,vthr,freq,rmass,uin,ng,group) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/locmode.f90: In function ‘locmode_’: ../src/locmode.f90:41:17: warning: ‘highest’ may be used uninitialized [-Wmaybe-uninitialized] 41 | nvar=highest-6 | ^ ../src/locmode.f90:29:50: note: ‘highest’ was declared here 29 | integer nvar,nvsq,r,s,a,ii,ij,ija,k,i,j,highest,ga,n36 | ^ [151/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_dipole.f90.o -c ../src/dipole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/dipole.f90:94:27: 94 | subroutine calc_dipole(n,at,xyz,z,nao,P,dpint,dip,d) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/dipole.f90:38:65: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/dipole.f90:39:27: 39 | real(wp) :: point(3),gm2,ttt(3),tt1,tt2,tt3,intcut | 1 Warning: Unused variable ‘gm2’ declared at (1) [-Wunused-variable] ../src/dipole.f90:34:22: 34 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:36: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:39: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:31: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:56: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘lmnfak’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:33: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:42: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/dipole.f90:37:45: 37 | integer :: ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:41: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/dipole.f90:38:45: 38 | real(wp) :: xyza(3),xyzb(3),rab,est,ss,sss,lmnfak(84),gama,arg | 1 Warning: Unused variable ‘sss’ declared at (1) [-Wunused-variable] [152/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_makel.f90.o -c ../src/makel.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [153/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_matinv.f90.o -c ../src/matinv.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [154/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_neighbor.f90.o -c ../src/neighbor.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/neighbor.f90:178:45: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:178:27: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:27: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:30: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:33: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:36: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:176:24: 176 | integer iat,i,j,k,ni,ii,jj,kk,ll | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:178:33: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:178:30: 178 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:241:36: 241 | real(wp) rad(94),r,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:27: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:30: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:33: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:36: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:240:24: 240 | integer iat,i,j,k,ni,ii,jj,kk,ll,lin | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/neighbor.f90:241:24: 241 | real(wp) rad(94),r,rr,rco,r2,f,a1 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] [155/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_onetri.f90.o -c ../src/onetri.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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) [156/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_hlex.f90.o -c ../src/hlex.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/hlex.f90:20:22: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/hlex.f90:20:45: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘focc’ at (1) [-Wunused-dummy-argument] ../src/hlex.f90:37:30: 37 | integer :: mo,n,i,j,k,idum,ii | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/hlex.f90:37:25: 37 | integer :: mo,n,i,j,k,idum,ii | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/hlex.f90:20:47: 20 | subroutine hlex(nat,at,nbf,nao,ihomo,xyz,focc,s,cmo,eiga,basis) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] [157/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_ls_rmsd.f90.o -c ../src/ls_rmsd.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/ls_rmsd.f90:57:35: 57 | real(dp), dimension(4,4) :: S, dS | 1 Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:40: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:44: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/ls_rmsd.f90:55:48: 55 | real(dp) :: x_norm, y_norm, lambda, y1, y2, y3 | 1 Warning: Unused variable ‘y3’ declared at (1) [-Wunused-variable] [158/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_pbc.f90.o -c ../src/pbc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [159/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_pqn.f90.o -c ../src/pqn.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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) | ^ [160/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_pbc_tools.f90.o -c ../src/pbc_tools.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [161/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_printmold.f90.o -c ../src/printmold.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/printmold.f90:49:30: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:49:43: 49 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] ../src/printmold.f90:158:13: 158 | real*8 dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:30: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘jcount’ declared at (1) [-Wunused-variable] ../src/printmold.f90:157:43: 157 | integer i,j,k,icount,jcount,z,nmomax,nop | 1 Warning: Unused variable ‘nop’ declared at (1) [-Wunused-variable] [162/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_aespot.f90.o -c ../src/aespot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/aespot.f90:22:43: 22 | integer,private, parameter :: llao (0:3) = (/ 1, 3, 6,10/) | 1 Warning: Unused PRIVATE module variable ‘llao’ declared at (1) [-Wunused-value] ../src/aespot.f90:23:43: 23 | integer,private, parameter :: llao2(0:3) = (/ 1, 3, 5, 7/) | 1 Warning: Unused PRIVATE module variable ‘llao2’ declared at (1) [-Wunused-value] ../src/aespot.f90:1093:39: 1093 | subroutine gfn2broyden_out(n,istart,nbr,q_in,dipm,qp) | 1 Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1069:40: 1069 | subroutine gfn2broyden_save(n,istart,nbr,dipm,qp,q_in) | 1 Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1047:40: 1047 | subroutine gfn2broyden_diff(n,istart,nbr,dipm,qp,q_in,dq) | 1 Warning: Unused dummy argument ‘nbr’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:1009:18: 1009 | real(wp) rco,f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:1009:21: 1009 | real(wp) rco,f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:986:14: 986 | integer i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:986:16: 986 | integer i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:24: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:27: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:32: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:985:37: 985 | real(wp) rco,t1,t2,t3,t4,tmp1,tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:961:14: 961 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:906:29: 906 | subroutine mmomgabzero(nat,at,xyz,kdmp3,kdmp5,radcn,gab3,gab5) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:915:22: 915 | integer i,j,k,l,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:18: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:20: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:30: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:863:33: 863 | integer :: i,j,m,k,ntot,mi,mj,ki,kj,mm,kk | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:757:28: 757 | subroutine aniso_grad(nat,at,xyz,q,dipm,qp,kdmp3,kdmp5, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:768:25: 768 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e01’ declared at (1) [-Wunused-variable] ../src/aespot.f90:768:29: 768 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e02’ declared at (1) [-Wunused-variable] ../src/aespot.f90:768:33: 768 | real(wp) ed,eq,edd,e01,e02,e11,r2,tt,tt3,q1,dxi | 1 Warning: Unused variable ‘e11’ declared at (1) [-Wunused-variable] ../src/aespot.f90:772:23: 772 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:772:20: 772 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:770:45: 770 | real(wp) dgab3,dgab5,damp1,damp2,ddamp,qs2 | 1 Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:38: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:44: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:16: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:36: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:27: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:589:30: 589 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:586:51: 586 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t1a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:20: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:24: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:586:59: 586 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t3a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:28: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:586:63: 586 | real(wp) ra(3),dra(3),rb(3),stmp,dum3a,dum5a,t1a,t2a,t3a,t4a,r2a | 1 Warning: Unused variable ‘t4a’ declared at (1) [-Wunused-variable] ../src/aespot.f90:587:32: 587 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:38: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:44: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘dum5b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:16: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:36: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:27: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:461:30: 461 | integer i,j,k,l1,l2,ll,m,mx,ki,kj | 1 Warning: Unused variable ‘mx’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:20: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t1b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:24: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t2b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:28: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t3b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:459:32: 459 | real(wp) r2ab,t1b,t2b,t3b,t4b,dum3b,dum5b,dtmp(3),qtmp(6),g3,g5 | 1 Warning: Unused variable ‘t4b’ declared at (1) [-Wunused-variable] ../src/aespot.f90:406:33: 406 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:406:30: 406 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/aespot.f90:406:18: 406 | integer i,j,k,l,ii,jj,ij,kl,kj | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:296:23: 296 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/aespot.f90:296:20: 296 | integer i,j,k,l,m,ki,kj,kl | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:289:44: 289 | real(wp) edd,e01,e02,e11,r2,tt,tt3,q1,qs2 | 1 Warning: Unused variable ‘qs2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:150:34: 150 | integer i,j,k,l,ii,jj,kl,kj,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/aespot.f90:113:16: 113 | real(wp) aesi | 1 Warning: Unused variable ‘aesi’ declared at (1) [-Wunused-variable] ../src/aespot.f90:109:29: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:109:34: 109 | subroutine unscalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:114:16: 114 | integer i,iat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/aespot.f90:92:27: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:92:32: 92 | subroutine scalecamm(nat,at,dipm,qp) | 1 Warning: Unused dummy argument ‘dipm’ at (1) [-Wunused-dummy-argument] ../src/aespot.f90:96:16: 96 | integer i,iat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:43: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:23: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:26: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:18: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:29: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/aespot.f90:47:20: 47 | integer i,j,k,l,m,ii,jj,ll,kk,mq,md,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:18: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:21: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:15: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:27: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:30: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:33: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:36: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:43:26: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/aespot.f90:43:31: 43 | real(wp) tmp1,tmp2,tmp3,tmp4 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/aespot.f90:44:24: 44 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] [163/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_pseudodiag.f90.o -c ../src/pseudodiag.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:48:20: 48 | integer :: bound | 1 Warning: Unused variable ‘bound’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:44:36: 44 | integer:: blocksize, batch, dest, nproc | 1 Warning: Unused variable ‘dest’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:57:46: 57 | integer, allocatable, save :: indizes(:,:) | 1 Warning: Unused variable ‘indizes’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:41:15: 41 | integer:: j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:43:42: 43 | integer:: aux_occ,aux_virt, loop_count | 1 Warning: Unused variable ‘loop_count’ declared at (1) [-Wunused-variable] ../src/pseudodiag.f90:42:15: 42 | integer:: m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] [164/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_qsort.f90.o -c ../src/qsort.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qsort.f90:51:22: 51 | integer :: i, j, ii | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] [165/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_readl2.f90.o -c ../src/readl2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [166/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_readl.f90.o -c ../src/readl.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [167/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_prmat.f90.o -c ../src/prmat.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [168/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_restart.f90.o -c ../src/restart.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/restart.f90:173:32: 173 | subroutine write_restart_gff(env,fname,nat,version,topo) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:152:27: 152 | subroutine writeRestart(env,wfx,fname,gfn_method) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:105:19: 105 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/restart.f90:32:41: 32 | subroutine readRestart(env,wfx,fname,n,at,gfn_method,success,verbose) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/restart.f90:46:19: 46 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [169/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_rmrottr.f90.o -c ../src/rmrottr.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:27:26: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixx’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:41: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:46: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fixz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:31: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fiyy’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:51: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fiyz’ declared at (1) [-Wunused-variable] ../src/rmrottr.f90:27:36: 27 | real*8 :: fixx,fiyy,fizz,fixy,fixz,fiyz,COM(3) | 1 Warning: Unused variable ‘fizz’ declared at (1) [-Wunused-variable] [170/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_molecule.f90.o -c ../src/type/molecule.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/molecule.f90:725:16: 725 | integer :: i,iat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:675:23: 675 | integer :: iat,info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:673:61: 673 | 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.f90:673:52: 673 | 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.f90:216:27: 216 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:214:32: 214 | integer, allocatable :: id(:) | 1 Warning: Unused variable ‘id’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:216:32: 216 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘iid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:216:22: 216 | integer :: nAt, nId, iAt, iId | 1 Warning: Unused variable ‘nid’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:215:54: 215 | character(len=symbolLength), allocatable :: sTmp(:) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/type/molecule.f90:633:0: 633 | 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.f90:553:63: warning: ‘__result_ncore’ may be used uninitialized [-Wmaybe-uninitialized] 553 | self%z(i) = real(self%at(i),wp) - real(ncore(self%at(i))) | ^ ../src/type/molecule.f90:558:37: note: ‘__result_ncore’ was declared here 558 | pure elemental integer function ncore(at) | ^ [171/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_rmsd.f90.o -c ../src/rmsd.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rmsd.f90:64:32: 64 | character*80 atmp1,atmp2,atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/rmsd.f90:68:17: 68 | integer n,idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] [172/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_intgrad.f90.o -c ../src/intgrad.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intgrad.f90:1300:25: 1300 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1303:19: 1303 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:48: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘hav’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:38: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘hii’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:43: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘hjj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1299:29: 1299 | integer i,j,k,l,m,ii,jj,ij,ioff,joff,kk | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1304:65: 1304 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jshmax’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:33: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1299:18: 1299 | integer i,j,k,l,m,ii,jj,ij,ioff,joff,kk | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1265:57: 1265 | subroutine sdqint_gpu(nShell, angShell, nat, at, nbf, nao, xyz, trans, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1265:52: 1265 | subroutine sdqint_gpu(nShell, angShell, nat, at, nbf, nao, xyz, trans, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1303:27: 1303 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:56: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘shpoly’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1300:16: 1300 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:29: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘zetaij’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:17: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘zi’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1307:21: 1307 | real(wp) :: zi, zj, zetaij, km, hii, hjj, hav, shpoly | 1 Warning: Unused variable ‘zj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1208:45: 1208 | pure subroutine build_sdq_ints_gpu(a,b,c,alpi,alpj,la,lb,kab,t,e,lx,ly,lz,v) | 1 Warning: Unused dummy argument ‘alpi’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1208:50: 1208 | pure subroutine build_sdq_ints_gpu(a,b,c,alpi,alpj,la,lb,kab,t,e,lx,ly,lz,v) | 1 Warning: Unused dummy argument ‘alpj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1208:40: 1208 | pure subroutine build_sdq_ints_gpu(a,b,c,alpi,alpj,la,lb,kab,t,e,lx,ly,lz,v) | 1 Warning: Unused dummy argument ‘c’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1070:52: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1075:19: 1075 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:14: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:17: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:20: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:43: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1074:27: 1074 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1074:30: 1074 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:14: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:38: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:41: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:35: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:44: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:47: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘km’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:18: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:29: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:20: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:50: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:53: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1067:32: 1067 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,km,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1035:44: 1035 | subroutine sdqint(nShell,angShell,nat,at,nbf,nao,xyz,intcut,caoshell,saoshell, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:1075:27: 1075 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:18: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:21: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:34: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:30: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1069:25: 1069 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:15: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:36: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:42: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:27: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:30: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:33: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:36: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:41: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:26: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1068:31: 1068 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:1070:24: 1070 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:974:48: 974 | real(wp) :: rij(3),rp(3),rij2,alpi,alpj,ci,cj,cc,kab,t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:898:48: 898 | real(wp) :: rij(3),rp(3),rij2,alpi,alpj,ci,cj,cc,kab,t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:823:42: 823 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc,kab,rp(3),t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:802:78: 802 | pure subroutine get_grad_overlap(icao,jcao,naoi,naoj,ishtyp,jshtyp,ri,rj,point,intcut, & | 1 Warning: Unused dummy argument ‘point’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:751:42: 751 | real(wp) :: rij(3),rij2,alpi,alpj,ci,cj,cc,kab,rp(3),t(0:8) | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:607:56: 607 | pure subroutine multipole_grad_3d(ri, rj, rc, rp, ai, aj, li, lj, s1d, s3d, ds3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:557:50: 557 | pure subroutine overlap_grad_3d(ri, rj, rp, ai, aj, li, lj, s1d, s3d, ds3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:509:47: 509 | pure subroutine multipole_3d(ri, rj, rc, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘ai’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:509:51: 509 | pure subroutine multipole_3d(ri, rj, rc, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:474:41: 474 | pure subroutine overlap_3d(ri, rj, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘ai’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:474:45: 474 | pure subroutine overlap_3d(ri, rj, rp, ai, aj, li, lj, s1d, s3d) | 1 Warning: Unused dummy argument ‘aj’ at (1) [-Wunused-dummy-argument] ../src/intgrad.f90:485:15: 485 | integer :: i, j, k, l | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:485:18: 485 | integer :: i, j, k, l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:386:15: 386 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:361:15: 361 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:270:15: 270 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:239:15: 239 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/intgrad.f90:168:20: 168 | integer ii,jj,m,n | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] [173/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_api_utils.f90.o -c ../src/api/utils.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [174/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_scanparam.f90.o -c ../src/scanparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scanparam.f90:121:35: 121 | subroutine setup_constrain_pot(n,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [175/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_freq_project.f90.o -c ../src/freq/project.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [176/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_reader_genformat.f90.o -c ../src/io/reader/genformat.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/genformat.f90:45:41: 45 | integer :: error, ndim, ii, jj, jbatch, iline | 1 Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable] ../src/io/reader/genformat.f90:43:40: 43 | character(len=:), allocatable :: line | 1 Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/io/reader/genformat.f90: In function ‘__xtb_io_reader_genformat_MOD_readhessiandftbplus’: ../src/io/reader/genformat.f90:50:7: warning: ‘error’ is used uninitialized [-Wuninitialized] 50 | if (error /= 0) then | ^ ../src/io/reader/genformat.f90:45:19: note: ‘error’ declared here 45 | integer :: error, ndim, ii, jj, jbatch, iline | ^ [177/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_writer_gaussian.f90.o -c ../src/io/writer/gaussian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [178/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_writer_orca.f90.o -c ../src/io/writer/orca.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [179/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_writer_turbomole.f90.o -c ../src/io/writer/turbomole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/writer/turbomole.f90: In function ‘__xtb_io_writer_turbomole_MOD_writenormalmodesturbomole’: ../src/io/writer/turbomole.f90:157:18: warning: ‘h.offset’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[0].lbound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[0].ubound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[1].lbound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ ../src/io/writer/turbomole.f90:157:18: warning: ‘h.dim[1].ubound’ is used uninitialized [-Wuninitialized] 157 | h = normalModes | ^ ../src/io/writer/turbomole.f90:152:35: note: ‘h’ declared here 152 | real(wp), allocatable :: h(:, :) | ^ [180/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_writer.f90.o -c ../src/io/writer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/writer.f90:36:66: 36 | subroutine writeMolecule(self, unit, format, energy, gnorm, number) | 1 Warning: Unused dummy argument ‘number’ at (1) [-Wunused-dummy-argument] [181/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_ncoord.f90.o -c ../src/disp/ncoord.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/ncoord.f90:1041:34: 1041 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:1041:38: 1041 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:969:34: 969 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:969:38: 969 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:770:42: 770 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:700:53: 700 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:700:42: 700 | real(wp) :: rij(3), r, rco, den, r2, xn, tmp, dtmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:587:46: 587 | real(wp) :: rij(3), r, rco, den, rr, r2, xn, tmp | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:481:34: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:481:38: 481 | real(wp) :: rij(3), r, rco, den, rr, r2, tmp | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:397:34: 397 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:397:38: 397 | real(wp) :: rij(3), r, rco, den, rr, r2, t(3) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:346:22: 346 | real(wp) :: expterm | 1 Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable] ../src/disp/ncoord.f90:292:34: 292 | real(wp) :: rij(3), r, rco, den, tmp, r2 | 1 Warning: Unused variable ‘den’ declared at (1) [-Wunused-variable] [182/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_iff_data.f90.o -c ../src/iff/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [183/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_model_hessian.f90.o -c ../src/model_hessian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:1817:17: 1817 | real(wp) :: es,expterm,erfterm | 1 Warning: Unused variable ‘es’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1790:45: 1790 | real(wp),allocatable :: hessian(:,:,:,:) ! molecular hessian of IES | 1 Warning: Unused variable ‘hessian’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1818:19: 1818 | real(wp) :: htmp,rxr(3,3) | 1 Warning: Unused variable ‘htmp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1812:22: 1812 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1816:21: 1816 | real(wp) :: lambda | 1 Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1819:21: 1819 | real(wp) :: rcovij,rr | 1 Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1819:24: 1819 | real(wp) :: rcovij,rr | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1832:34: 1832 | real(wp),allocatable :: temp(:) | 1 Warning: Unused variable ‘temp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1815:27: 1815 | real(wp) :: arg,arg2,tmp,dtmp | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1589:21: 1589 | real(wp) :: rij(3),rij1,brij(3,2) | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1590:21: 1590 | real(wp) :: rjk(3),rjk1,brjk(3,2) | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1591:21: 1591 | real(wp) :: rkl(3),rkl1,brkl(3,2) | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1325:19: 1325 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1194:19: 1194 | real(wp) :: beta,tij,tau,dum(3,4,3,4) | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:1193:35: 1193 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1 Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:979:20: 979 | real(wp) :: alpha | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:593:19: 593 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:19: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘ir’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:24: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘jr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:29: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘kr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:587:34: 587 | integer :: i,ir,j,jr,k,kr,l,lr,ic,jc | 1 Warning: Unused variable ‘lr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:469:30: 469 | real(wp) :: rij(3),rij0,aij,rij2,d0ij,gij | 1 Warning: Unused variable ‘aij’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:470:30: 470 | real(wp) :: rjk(3),rjk0,ajk,rjk2,d0jk,gjk | 1 Warning: Unused variable ‘ajk’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:471:30: 471 | real(wp) :: rkl(3),rkl0,akl,rkl2,d0kl,gkl | 1 Warning: Unused variable ‘akl’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:473:19: 473 | real(wp) :: beta,tij,tau | 1 Warning: Unused variable ‘beta’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:472:35: 472 | real(wp) :: cosfi2,cosfi3,cosfi4 | 1 Warning: Unused variable ‘cosfi4’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:264:20: 264 | real(wp) :: alpha | 1 Warning: Unused variable ‘alpha’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:3153:38: 3153 | subroutine getqqxy(dx,dy,qq,c6,r,r2,r3,rpa,r02,d2) | 1 Warning: Unused dummy argument ‘r’ at (1) [-Wunused-dummy-argument] ../src/model_hessian.f90:2133:21: 2133 | real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), & | 1 Warning: Unused variable ‘alphavdw’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2133:27: 2133 | real*8 alphavdw, damp, c6(100), c6k, c6l, c66, vander(100), & | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2134:24: 2134 | & vdw(3,3), dr(3) | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2135:18: 2135 | integer kxyz, lxyz | 1 Warning: Unused variable ‘kxyz’ declared at (1) [-Wunused-variable] ../src/model_hessian.f90:2135:24: 2135 | integer kxyz, lxyz | 1 Warning: Unused variable ‘lxyz’ declared at (1) [-Wunused-variable] In function ‘__xtb_modelhessian_MOD_mh_swart_torsion’, inlined from ‘__xtb_modelhessian_MOD_mh_swart’ at ../src/model_hessian.f90:133:74: ../src/model_hessian.f90:494:19: warning: ‘kl’ may be used uninitialized [-Wmaybe-uninitialized] 494 | if (ij.le.kl) cycle torsion_lAt | ^ ../src/model_hessian.f90: In function ‘__xtb_modelhessian_MOD_mh_swart’: ../src/model_hessian.f90:464:34: note: ‘kl’ was declared here 464 | integer :: i,j,k,l,ic,jc,ij,kl | ^ [184/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_data.f90.o -c ../src/type/data.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [185/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_dftd3.f.o -c ../src/disp/dftd3.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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:363:28: 363 | . izi,izj,iat,jat,c6check,dc6i,dc6j) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f:377:17: 377 | integer i,j,a,b | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:363:32: 363 | . izi,izj,iat,jat,c6check,dc6i,dc6j) | 1 Warning: Unused dummy argument ‘jat’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f:59:24: 59 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:46: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘c8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:61: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘damp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:33: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:20: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:26: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:59:18: 59 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:60:27: 60 | real(wp) expterm,dcni | 1 Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:47: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘displ’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:41: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘dispr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:57:19: 57 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:57:24: 57 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:17: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:20: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:23: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:43: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:47: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:36: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:57: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘e6abc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:47:39: 47 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:42:18: 42 | logical echo | 1 Warning: Unused variable ‘echo’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:25: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘gc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:18: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:30: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:22: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:34: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:26: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:49:38: 49 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:44:23: 44 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:44:25: 44 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:38: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:79:19: 79 | real(wp) labc,rabc | 1 Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:23: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:29: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:35: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:85:17: 85 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:41: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:45: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:52: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘r235’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:79:24: 79 | real(wp) labc,rabc | 1 Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:54:28: 54 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:55:23: 55 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:54:35: 54 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:55:32: 55 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:51: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:52:18: 52 | real(wp) rs6,rs8 | 1 Warning: Unused variable ‘rs6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:52:22: 52 | real(wp) rs6,rs8 | 1 Warning: Unused variable ‘rs8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:50:20: 50 | real(wp) rthr3,s6 | 1 Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:18: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘s10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:35: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:46:55: 46 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:30: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘term’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:48:57: 48 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:66:21: 66 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:66:29: 66 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:42: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:36: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:45: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:39: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:45:48: 45 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:469:24: 469 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘c6chk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:46: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘c8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:61: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘damp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:33: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:20: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:26: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘damp8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:61: 491 | real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang | 1 Warning: Unused variable ‘dang’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:469:18: 469 | real(wp) dc6,c6chk !d(C6ij)/d(r_ij) | 1 Warning: Unused variable ‘dc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:50: 491 | real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang | 1 Warning: Unused variable ‘dc9’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:470:27: 470 | real(wp) expterm,dcni | 1 Warning: Unused variable ‘dcni’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:491:56: 491 | real(wp) c9,rav,rav3,fdmp,ang,angr9,eabc,dc9,dfdmp,dang | 1 Warning: Unused variable ‘dfdmp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:33: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:47: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘displ’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:41: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘dispr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:467:19: 467 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:467:24: 467 | real(wp) drik,drjk | 1 Warning: Unused variable ‘drjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:17: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:20: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:23: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:43: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:47: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:36: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:57: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘e6abc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:39: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘e8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:470:22: 470 | real(wp) expterm,dcni | 1 Warning: Unused variable ‘expterm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:25: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘gc6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:18: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:30: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gx2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:22: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:34: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gy2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:26: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:461:38: 461 | real(wp) gx1,gy1,gz1,gx2,gy2,gz2,rthr,c8,cn_thr | 1 Warning: Unused variable ‘gz2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:456:23: 456 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:456:25: 456 | integer iat,jat,i,j,kat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:38: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:487:19: 487 | real(wp) labc,rabc | 1 Warning: Unused variable ‘labc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:23: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linim’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:29: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linjm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:35: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘linkm’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:493:17: 493 | integer mat,linim,linjm,linkm,kk | 1 Warning: Unused variable ‘mat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:41: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:45: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r12’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:52: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘r235’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:31: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r4’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:28: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘r42’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:34: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:38: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘r7’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:37: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘r8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:41: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘r9’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:487:24: 487 | real(wp) labc,rabc | 1 Warning: Unused variable ‘rabc’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:468:21: 468 | real(wp) rcovij | 1 Warning: Unused variable ‘rcovij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:28: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rik’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:465:23: 465 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rik_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:464:35: 464 | real(wp) rij(3),rik(3),rjk(3),r7,r9 | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:465:32: 465 | real(wp) rik_dist,rjk_dist | 1 Warning: Unused variable ‘rjk_dist’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:51: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:462:20: 462 | real(wp) rthr3,s6 | 1 Warning: Unused variable ‘rthr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:18: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘s10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:35: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:55: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:48: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:458:51: 458 | real(wp) dx,dy,dz,r2,r,r4,r6,r8,r10,r12,t6,t8,t10,damp1 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:30: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘term’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:459:52: 459 | real(wp) damp6,damp8,damp10,e6,e8,e10,e12,tmp1 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:460:57: 460 | real(wp) s10,gC6(3),term,step,dispr,displ,r235,tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:476:21: 476 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:476:29: 476 | real(wp) vec(3),vec2(3) | 1 Warning: Unused variable ‘vec2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:480:31: 480 | real(wp) dc6iji,dc6ijj,x1 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:42: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:36: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:45: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:39: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z1’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:457:48: 457 | real(wp) R0,C6,alp,R42,disp,y1,z1,x2,y2,z2,rr,e6abc | 1 Warning: Unused variable ‘z2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f:598:39: 598 | real(wp) cn1,cn2,r,rsum,csum,tmp,tmp1 | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] [186/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_identitymap.f90.o -c ../src/type/identitymap.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [187/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_dftd3.f90.o -c ../src/disp/dftd3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/disp/dftd3.f90:745:60: 745 | integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik | 1 Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:723:42: 723 | & (mol, neighs, neighlist, par, r4r2, c6, dc6dcn, & | 1 Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:693:27: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:32: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:63: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘d10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:54: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘d6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:58: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘d8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:47: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘ddisp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:17: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘de’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:24: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘dg’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:40: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘disp’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:696:34: 696 | real(wp) :: dE, dG(3), dS(3, 3), disp, ddisp | 1 Warning: Unused variable ‘ds’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:17: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:36: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:41: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘img’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:693:22: 693 | integer :: iat, jat, ati, atj, ij, img | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:25: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:37: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:21: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘r4r2ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:33: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:50: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:41: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:695:45: 695 | real(wp) :: r4r2ij, r0, rij(3), r2, t6, t8, t10, d6, d8, d10 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:484:29: 484 | & (mol, neighs, neighs3, neighlist, par, weighting_factor, & | 1 Warning: Unused dummy argument ‘neighs3’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:393:38: 393 | & (mol, trans, cutoff, par, r4r2, c6, dc6dcn, & | 1 Warning: Unused dummy argument ‘r4r2’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd3.f90:72:36: 72 | integer :: iat, ati, iref, icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] ../src/disp/dftd3.f90:884:0: 884 | elemental function pair_scale(iat, jat) result(scale) | Warning: ‘pair_scale’ defined but not used [-Wunused-function] [188/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_latticepoint.f90.o -c ../src/type/latticepoint.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [189/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_calculator.f90.o -c ../src/type/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [190/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_repulsion.F90.o -c ../src/xtb/repulsion.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/xtb/repulsion.F90:186:41: 186 | real(wp) :: alpha, zeff, kExp, cutoff2 | 1 Warning: Unused variable ‘cutoff2’ declared at (1) [-Wunused-variable] [191/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_coffee.f90.o -c ../src/coffee.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [192/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_detrotra.f90.o -c ../src/detrotra.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [193/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_coordinationnumber.f90.o -c ../src/disp/coordinationnumber.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [194/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_anc.f90.o -c ../src/type/anc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/anc.f90:365:84: 20 | use xtb_mctc_blas | 2 ...... 365 | call dgemv('n',self%n3,self%nvar,1.0_wp,self%B,self%n3,self%coord,1,1.0_wp,xyz,1) | 1 Warning: Mismatch in PURE attribute between (1) and (2) ../src/type/anc.f90:361:18: 361 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:17: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:19: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:21: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:359:15: 359 | integer :: m,i,j,k | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/type/anc.f90:225:30: 225 | subroutine generate_anc_packed(self,xyz,hess,pr) | ^ Warning: ‘generate_anc_packed’ defined but not used [-Wunused-function] [195/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_enso_printout.f90.o -c ../src/enso_printout.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [196/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_generate_wsc.f90.o -c ../src/generate_wsc.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/generate_wsc.f90:32:24: 32 | integer :: ii,jj,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [197/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_iniq.f90.o -c ../src/iniq.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [198/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_setparam.f90.o -c ../src/setparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/setparam.f90:172:26: 172 | integer,private :: idum | 1 Warning: Unused PRIVATE module variable ‘idum’ declared at (1) [-Wunused-value] [199/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_type_coulomb.f90.o -c ../src/type/coulomb.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/type/coulomb.f90:177:21: 177 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [200/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_main_json.f90.o -c ../src/main/json.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/main/json.f90:63:15: 63 | (ijson, mol, wfx, xbas, sccres, freqres) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/main/json.f90:63:26: 63 | (ijson, mol, wfx, xbas, sccres, freqres) | 1 Warning: Unused dummy argument ‘xbas’ at (1) [-Wunused-dummy-argument] [201/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gfnff_eg.f90.o -c ../src/gfnff/gfnff_eg.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_eg.f90:2979:10: 2979 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2980:10: 2980 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2981:10: 2981 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2982:10: 2982 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2983:9: 2983 | rn=tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2712:10: 2712 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2713:10: 2713 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2714:10: 2714 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2715:10: 2715 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2716:10: 2716 | rn =tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2815:10: 2815 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2396:10: 2396 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2397:10: 2397 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2398:10: 2398 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2399:10: 2399 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2400:10: 2400 | rn =tlist(5,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2412:10: 2412 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2413:10: 2413 | jj =tlist(2,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2414:10: 2414 | kk =tlist(3,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2415:10: 2415 | ll =tlist(4,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:2544:10: 2544 | ii =tlist(1,i) | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1451:9: 1451 | A4=A | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:1452:9: 1452 | x4=x | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_eg.f90:3449:38: 3449 | 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.f90:3096:40: 3096 | real*8 drax(3),drbx(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3099:15: 3099 | 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.f90:3099:21: 3099 | 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.f90:3103:13: 3103 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3103:17: 3103 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3103:21: 3103 | real*8 gqa,gqb,gqx | 1 Warning: Unused variable ‘gqx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3106:12: 3106 | integer i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3106:14: 3106 | integer i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3101:12: 3101 | real*8 qa,qb,qx | 1 Warning: Unused variable ‘qa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3095:41: 3095 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1 Warning: Unused variable ‘rax4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:3095:46: 3095 | real*8 rab,rax,rbx,rab2,rax2,rbx2,rax4,rbx4 | 1 Warning: Unused variable ‘rbx4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2846:20: 2846 | integer A,B,H,C,D,n,at(n) | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2869:15: 2869 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2864:44: 2864 | real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3) | 1 Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2863:32: 2863 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2863:55: 2863 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2862:40: 2862 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2874:14: 2874 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2873:67: 2873 | real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2870:33: 2870 | real*8 gi,gi_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2865:48: 2865 | real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2878:13: 2878 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2878:17: 2878 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2878:21: 2878 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2885:33: 2885 | logical mask_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2875:28: 2875 | real*8 aterm,dterm,nbterm | 1 Warning: Unused variable ‘nbterm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2881:32: 2881 | real*8 outl_nb(topo%nb(20,B)),outl_nb_tot | 1 Warning: Unused variable ‘outl_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2881:44: 2881 | real*8 outl_nb(topo%nb(20,B)),outl_nb_tot | 1 Warning: Unused variable ‘outl_nb_tot’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2860:41: 2860 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2861:29: 2861 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2861:50: 2861 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2872:42: 2872 | real*8 rahprbh,ranbprbnb(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2869:21: 2869 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2858:48: 2858 | real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3 | 1 Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2860:46: 2860 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2861:70: 2861 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2861:91: 2861 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2871:34: 2871 | real*8 tmp1,tmp2(topo%nb(20,B)) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2859:12: 2859 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2859:15: 2859 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2859:18: 2859 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2578:20: 2578 | integer A,B,H,C,D,n,at(n) | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2601:15: 2601 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2596:44: 2596 | real*8 dg(3),dga(3),dgb(3),dgh(3),dgnb(3) | 1 Warning: Unused variable ‘dgnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2595:32: 2595 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘dranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2595:55: 2595 | real*8 dranb(3,topo%nb(20,B)),drbnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘drbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2594:40: 2594 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2606:14: 2606 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2605:67: 2605 | real*8 ex1a,ex2a,ex1b,ex2b,ex1h,ex2h,expo,expo_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘expo_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2602:33: 2602 | real*8 gi,gi_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘gi_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2597:48: 2597 | real*8 ga(3),gb(3),gh(3),gnb(3,topo%nb(20,B)) | 1 Warning: Unused variable ‘gnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2610:13: 2610 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2610:17: 2610 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2610:21: 2610 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2616:33: 2616 | logical mask_nb(topo%nb(20,B)) | 1 Warning: Unused variable ‘mask_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2592:41: 2592 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2593:29: 2593 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2593:50: 2593 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2604:42: 2604 | real*8 rahprbh,ranbprbnb(topo%nb(20,B)) | 1 Warning: Unused variable ‘ranbprbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2601:21: 2601 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2590:48: 2590 | real*8 ratio1,ratio2,ratio2_nb(topo%nb(20,B)),ratio3 | 1 Warning: Unused variable ‘ratio2_nb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2592:46: 2592 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2593:70: 2593 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2593:91: 2593 | real*8 ranb(topo%nb(20,B)),ranb2(topo%nb(20,B)),rbnb(topo%nb(20,B)),rbnb2(topo%nb(20,B)) | 1 Warning: Unused variable ‘rbnb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2603:34: 2603 | real*8 tmp1,tmp2(topo%nb(20,B)) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2591:12: 2591 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2591:15: 2591 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2591:18: 2591 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2277:14: 2277 | integer C,D | 1 Warning: Unused variable ‘d’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2248:40: 2248 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2260:14: 2260 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2264:13: 2264 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2264:17: 2264 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2264:21: 2264 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2246:41: 2246 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2255:15: 2255 | real*8 ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2246:46: 2246 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2245:12: 2245 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2245:15: 2245 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2245:18: 2245 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1943:15: 1943 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1939:40: 1939 | 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.f90:1948:14: 1948 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1952:13: 1952 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1952:17: 1952 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1952:21: 1952 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1937:41: 1937 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1943:21: 1943 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1937:46: 1937 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1936:12: 1936 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1936:15: 1936 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1936:18: 1936 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1703:15: 1703 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘denom’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1699:40: 1699 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1708:14: 1708 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1712:13: 1712 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1712:17: 1712 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1712:21: 1712 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1697:41: 1697 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rah4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1703:21: 1703 | real*8 denom,ratio,qhoutl,radab | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1697:46: 1697 | real*8 rab,rah,rbh,rab2,rah2,rbh2,rah4,rbh4 | 1 Warning: Unused variable ‘rbh4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1696:12: 1696 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1696:15: 1696 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1696:18: 1696 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1527:40: 1527 | real*8 drah(3),drbh(3),drab(3),drm(3) | 1 Warning: Unused variable ‘drm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1533:14: 1533 | real*8 eabh | 1 Warning: Unused variable ‘eabh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1537:13: 1537 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqa’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1537:17: 1537 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1537:21: 1537 | real*8 gqa,gqb,gqh | 1 Warning: Unused variable ‘gqh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1530:24: 1530 | real*8 gi,denom,ratio,tmp,qhoutl,radab,rahprbh | 1 Warning: Unused variable ‘ratio’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1525:12: 1525 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘xm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1525:15: 1525 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘ym’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1525:18: 1525 | real*8 xm,ym,zm | 1 Warning: Unused variable ‘zm’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1385:33: 1385 | real(wp) :: gammij,tsqrt2pi,r2,tmp | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1224:13: 1224 | 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.f90:1224:41: 1224 | 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.f90:1232:25: 1232 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1232:17: 1232 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1228:24: 1228 | 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.f90:1225:24: 1225 | 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.f90:1225:32: 1225 | 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.f90:1225:50: 1225 | 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.f90:1225:13: 1225 | 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.f90:1229:34: 1229 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1225:16: 1225 | 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.f90:1224:18: 1224 | 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.f90:1231:16: 1231 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1226:33: 1226 | 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.f90:1227:15: 1227 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1231:25: 1231 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1230:42: 1230 | 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.f90:1225:44: 1225 | 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.f90:1225:38: 1225 | 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.f90:1226:50: 1226 | 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.f90:1228:16: 1228 | 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.f90:1224:24: 1224 | 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.f90:1224:30: 1224 | 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.f90:1224:36: 1224 | 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.f90:1228:29: 1228 | 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.f90:1228:35: 1228 | 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.f90:1166:53: 1166 | subroutine egtors_nci_mul(i,j,k,l,rn,phi0,tshift,n,at,xyz,e,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:1177:13: 1177 | 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.f90:1177:44: 1177 | 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.f90:1180:20: 1180 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1180:35: 1180 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1180:50: 1180 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1185:25: 1185 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1184:48: 1184 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1180:27: 1180 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1180:42: 1180 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1185:17: 1185 | real*8 dampjl,damp2jl,valijklff | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1184:40: 1184 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1181:24: 1181 | 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.f90:1178:24: 1178 | 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.f90:1178:32: 1178 | 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.f90:1178:50: 1178 | 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.f90:1178:13: 1178 | 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.f90:1182:34: 1182 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1178:16: 1178 | 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.f90:1177:21: 1177 | 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.f90:1184:16: 1184 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1179:33: 1179 | 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.f90:1180:15: 1180 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1184:25: 1184 | real*8 omega,rij,rijk,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1183:42: 1183 | 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.f90:1178:44: 1178 | 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.f90:1178:38: 1178 | 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.f90:1179:50: 1179 | 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.f90:1179:19: 1179 | 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.f90:1179:28: 1179 | 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.f90:1182:19: 1182 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1181:16: 1181 | 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.f90:1177:27: 1177 | 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.f90:1177:33: 1177 | 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.f90:1177:39: 1177 | 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.f90:1181:29: 1181 | 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.f90:1181:35: 1181 | 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.f90:1081:13: 1081 | 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.f90:1081:41: 1081 | 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.f90:1085:24: 1085 | 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.f90:1082:24: 1082 | 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.f90:1082:32: 1082 | 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.f90:1082:50: 1082 | 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.f90:1082:13: 1082 | 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.f90:1086:34: 1086 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1082:16: 1082 | 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.f90:1081:18: 1081 | 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.f90:1083:33: 1083 | 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.f90:1084:15: 1084 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘rcb2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1088:25: 1088 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1082:44: 1082 | 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.f90:1082:38: 1082 | 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.f90:1083:50: 1083 | 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.f90:1085:16: 1085 | 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.f90:1081:24: 1081 | 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.f90:1081:30: 1081 | 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.f90:1081:36: 1081 | 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.f90:1085:29: 1085 | 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.f90:1085:35: 1085 | 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.f90:1018:45: 1018 | 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.f90:1022:25: 1022 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1021:53: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1022:17: 1022 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1021:45: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1020:38: 1020 | 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.f90:1020:31: 1020 | 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.f90:1020:24: 1020 | 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.f90:1020:17: 1020 | 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.f90:1018:42: 1018 | 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.f90:1019:40: 1019 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1019:34: 1019 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1018:38: 1018 | 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.f90:1021:16: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1020:46: 1020 | 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.f90:1021:30: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1021:20: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1021:25: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1021:38: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1020:42: 1020 | 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.f90:1021:34: 1021 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1022:38: 1022 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1019:19: 1019 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1022:35: 1022 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1019:47: 1019 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1019:31: 1019 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:1019:25: 1019 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:940:42: 940 | subroutine egbend_nci_mul(j,i,k,c0,fc,n,at,xyz,e,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:954:45: 954 | 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.f90:953:20: 953 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:35: 953 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2ij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:50: 953 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘damp2jk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:958:25: 958 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:957:53: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:27: 953 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:953:42: 953 | real*8 rcb2,damp,dampij,damp2ij,dampjk,damp2jk | 1 Warning: Unused variable ‘dampjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:958:17: 958 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:957:45: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:956:38: 956 | 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.f90:956:31: 956 | 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.f90:956:24: 956 | 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.f90:956:17: 956 | 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.f90:954:42: 954 | 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.f90:955:40: 955 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:34: 955 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:954:38: 954 | 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.f90:957:16: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:956:46: 956 | 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.f90:957:30: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:957:20: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:957:25: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:957:38: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:956:42: 956 | 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.f90:957:34: 957 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:958:38: 958 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:952:19: 952 | 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.f90:952:28: 952 | 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.f90:955:19: 955 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:958:35: 958 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:47: 955 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:31: 955 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:955:25: 955 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:888:45: 888 | real*8 theta,deda(3),vlen,vp(3),et,dij,c1 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:25: 892 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘damp2jl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:891:53: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘damp2kl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:17: 892 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘dampjl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:891:45: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘dampkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:890:38: 890 | 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.f90:890:31: 890 | 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.f90:890:24: 890 | 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.f90:890:17: 890 | 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.f90:888:42: 888 | 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.f90:889:40: 889 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘dphi1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:889:34: 889 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:888:38: 888 | 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.f90:891:16: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:890:46: 890 | 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.f90:891:30: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘phi0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:891:20: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:891:25: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rijk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:891:38: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rjk’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:890:42: 890 | 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.f90:891:34: 891 | real*8 omega,rij,rijk,phi0,rkl,rjk,dampkl,damp2kl | 1 Warning: Unused variable ‘rkl’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:38: 892 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘rn’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:889:19: 889 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘term3’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:892:35: 892 | real*8 dampjl,damp2jl,valijklff,rn | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:889:47: 889 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘vdc’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:889:31: 889 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1cos’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:889:25: 889 | real*8 term3(3),x1sin,x1cos,e1,dphi1,vdc(3) | 1 Warning: Unused variable ‘x1sin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:830:21: 830 | real(wp) :: cn_thr | 1 Warning: Unused variable ‘cn_thr’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:835:20: 835 | integer :: iA,jA,jH | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:835:23: 835 | integer :: iA,jA,jH | 1 Warning: Unused variable ‘jh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:833:18: 833 | integer :: lin,linAH | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:833:24: 833 | integer :: lin,linAH | 1 Warning: Unused variable ‘linah’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:688:45: 688 | subroutine egbond(i,iat,jat,rab,rij,drij,n,at,xyz,e,g,topo) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:704:12: 704 | integer j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:106:46: 106 | 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.f90:104:34: 104 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:102:13: 102 | logical ex, require_update | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:100:14: 100 | integer hbA,hbB,nbk,nbnbk | 1 Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:100:18: 100 | integer hbA,hbB,nbk,nbnbk | 1 Warning: Unused variable ‘hbb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:101:14: 101 | integer lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:63:47: 63 | subroutine gfnff_eg(env,pr,n,ichrg,at,xyz,makeq,g,etot,res_gff, & | 1 Warning: Unused dummy argument ‘makeq’ at (1) [-Wunused-dummy-argument] ../src/gfnff/gfnff_eg.f90:108:16: 108 | 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.f90:107:33: 107 | real*8 gammij,eesinf,etmp,phi,valijklff | 1 Warning: Unused variable ‘phi’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:104:21: 104 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘qq0’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:105:41: 105 | 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.f90:104:51: 104 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘t22’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:106:53: 106 | 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.f90:104:55: 104 | real*8 r2,rab,qq0,erff,dd,dum1,r3(3),t8,dum,t22,t39 | 1 Warning: Unused variable ‘t39’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:107:43: 107 | real*8 gammij,eesinf,etmp,phi,valijklff | 1 Warning: Unused variable ‘valijklff’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_eg.f90:2571:27: 2571 | subroutine abhgfnff_eg3_mul(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo) | ^ Warning: ‘abhgfnff_eg3_mul’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:2839:27: 2839 | subroutine abhgfnff_eg3_add(n,A,B,H,at,xyz,q,sqrab,srab,energy,gdr,param,topo) | ^ Warning: ‘abhgfnff_eg3_add’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3449:0: 3449 | pure elemental function create_erfCN(k,r,r0) result(count) | Warning: ‘create_erfcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3480:0: 3480 | pure elemental function create_expCN(k,r,r0) result(count) | Warning: ‘create_expcn’ defined but not used [-Wunused-function] ../src/gfnff/gfnff_eg.f90:3491:0: 3491 | pure elemental function create_dexpCN(k,r,r0) result(count) | Warning: ‘create_dexpcn’ defined but not used [-Wunused-function] [202/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_coulomb_gaussian.f90.o -c ../src/coulomb/gaussian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/gaussian.f90:145:21: 145 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [203/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_dftd4.F90.o -c ../src/disp/dftd4.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/disp/dftd4.F90:2124:51: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘ang’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:17: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘c9’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:28: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘ccc1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:79: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘cr’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:57: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dang’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:22: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dc9’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:70: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dfdmp’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:75: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘dgr’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:63: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘fdmp’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:34: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘rrr1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:40: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘rrr2’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:2124:46: 2124 | real(wp) :: c9, dc9, ccc1, rrr1, rrr2, rrr3, ang, dang, fdmp, dfdmp, dGr, cr | 1 Warning: Unused variable ‘rrr3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1971:72: 1971 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘dedq’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1971:53: 1971 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1785:53: 1785 | real(wp), allocatable :: energies(:), energies3(:), dEdcn(:), dEdq(:) | 1 Warning: Unused variable ‘energies3’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:1545:60: 1545 | integer :: iat, jat, kat, ati, atj, atk, jtr, ktr, ij, jk, ik | 1 Warning: Unused variable ‘jk’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:871:31: 871 | real(wp) :: twf,norm,aiw(23) | 1 Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:859:42: 859 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6) | 1 Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:859:46: 859 | subroutine pbc_d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,refc6) | 1 Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:869:26: 869 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:869:22: 869 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:826:19: 826 | real(wp) :: qmod,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:740:19: 740 | real(wp) :: qmod,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:652:40: 652 | subroutine build_wdispmat(dispm,nat,ndim,at,itbl,xyz,par,c6abns,gw,wdispmat) | 1 Warning: Unused dummy argument ‘ndim’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:665:57: 665 | real(wp) :: c8abns,c10abns,r2,cutoff,oor6,oor8,oor10,r,gwgw,r4r2ij | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:595:31: 595 | real(wp) :: twf,norm,aiw(23) | 1 Warning: Unused variable ‘aiw’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:582:38: 582 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns) | 1 Warning: Unused dummy argument ‘g_a’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:582:42: 582 | subroutine d4(dispm,nat,ndim,at,wf,g_a,g_c,covcn,gw,c6abns) | 1 Warning: Unused dummy argument ‘g_c’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:593:26: 593 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:593:22: 593 | integer :: i,ia,is,icn,ii,iii,j,jj,ja,k,l | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:385:30: 385 | real(wp) :: tmp1, tmp2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:385:36: 385 | real(wp) :: tmp1, tmp2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:278:21: 278 | & gw,c6abns,molc6,molc8,molpol,aout,cout,rout,vout) | 1 Warning: Unused dummy argument ‘c6abns’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:296:27: 296 | integer :: i,ii,ia,j,jj,ja,k,l | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:296:34: 296 | integer :: i,ii,ia,j,jj,ja,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:298:19: 298 | real(wp) :: qmod,oth,iz | 1 Warning: Unused variable ‘qmod’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:277:40: 277 | subroutine mdisp(dispm,nat,ndim,at,q,xyz,g_a,g_c, & | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/disp/dftd4.F90:62:28: 62 | integer :: cncount(0:18) | 1 Warning: Unused variable ‘cncount’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:26: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘icn’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:40: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/disp/dftd4.F90:61:31: 61 | integer :: i,ia,is,icn,j,ja,ii,jj,ij | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] [204/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_dispersion.f90.o -c ../src/xtb/dispersion.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/dispersion.f90:80:34: 80 | integer, allocatable :: itbl(:) | 1 Warning: Unused variable ‘itbl’ declared at (1) [-Wunused-variable] [205/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_eeq_model.f90.o -c ../src/eeq_model.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/eeq_model.f90:1078:18: 1078 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1087:17: 1087 | real(wp) :: cf ! convergence factor | 1 Warning: Unused variable ‘cf’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1068:41: 1068 | real(wp),allocatable :: dAmatdL(:,:,:) | 1 Warning: Unused variable ‘damatdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:36: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1078:27: 1078 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1070:41: 1070 | real(wp),allocatable :: dXvecdL(:,:,:) | 1 Warning: Unused variable ‘dxvecdl’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1111:35: 1111 | real(wp) :: gborn, ghb, r3, erft | 1 Warning: Unused variable ‘erft’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:20: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1077:20: 1077 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1077:27: 1077 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1075:20: 1075 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1075:22: 1075 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1076:16: 1076 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1076:26: 1076 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1111:29: 1111 | real(wp) :: gborn, ghb, r3, erft | 1 Warning: Unused variable ‘r3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1089:36: 1089 | integer :: rep_cn(3) | 1 Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1076:23: 1076 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:27: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1086:46: 1086 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:1085:20: 1085 | integer :: wscAt | 1 Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:735:18: 735 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:36: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘datmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:735:27: 735 | real(wp) :: arg,tmp,dtmp | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:20: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘gamii’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:734:20: 734 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:734:27: 734 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:20: 732 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:732:22: 732 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:733:16: 733 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:733:26: 733 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:733:23: 733 | real(wp) :: r,rij(3),r2 | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:27: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘riw’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:743:46: 743 | real(wp) :: gamii,riw(3),dAtmp(3),stmp(3,3),vec(3) | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:742:20: 742 | integer :: wscAt | 1 Warning: Unused variable ‘wscat’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:383:27: 383 | real(wp) :: gamij,gamij2 | 1 Warning: Unused variable ‘gamij2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:381:20: 381 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:381:22: 381 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:17: 275 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:20: 275 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:275:23: 275 | integer :: dx,dy,dz,i,itr | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:277:19: 277 | real(wp) :: t(3),dtmp,stmp(3) | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:17: 245 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:20: 245 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:245:23: 245 | integer :: dx,dy,dz,itr | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:247:19: 247 | real(wp) :: t(3) | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:184:22: 184 | real(wp) :: gVec(3) | 1 Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:17: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:22: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:27: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:183:32: 183 | integer :: iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:96:44: 96 | real(wp) :: gamii, gamij, riw(3), gVec(3) | 1 Warning: Unused variable ‘gvec’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:34: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig1’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:39: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig2’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:44: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘ig3’ declared at (1) [-Wunused-variable] ../src/eeq_model.f90:95:49: 95 | integer :: iat, jat, wscAt, iG1, iG2, iG3, iRp | 1 Warning: Unused variable ‘irp’ declared at (1) [-Wunused-variable] [206/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_coulomb_klopmanohno.f90.o -c ../src/coulomb/klopmanohno.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/coulomb/klopmanohno.f90:198:21: 198 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [207/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_getname.f90.o -c ../src/getname.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [208/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_gfn2.f90.o -c ../src/xtb/gfn2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn2.f90:878:27: 878 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:818:17: 818 | integer :: iZp, iSh, jSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:33: 817 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:817:27: 817 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn2.f90:819:27: 819 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] [209/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_cube.f90.o -c ../src/cube.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:38:41: 38 | subroutine cube(n,nmo,nbf,xyz,at,cmo,eval,occ,fname,basis) | 1 Warning: Unused dummy argument ‘eval’ at (1) [-Wunused-dummy-argument] ../src/cube.f90:63:23: 63 | real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3 | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/cube.f90:62:18: 62 | real*8 thr,thr3,intcut,intcut2,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.f90:63:30: 63 | real*8 w0,w1,t0,t1,r,r2,val,rab,ccc,gridp(3),xyza(3),xyzb(3),dr3 | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/cube.f90:64:53: 64 | real*8 step,px,py,pz,xinc,yinc,zinc,nx,ny,nz,vv(1),v,est,nfod | 1 Warning: Unused variable ‘vv’ declared at (1) [-Wunused-variable] [210/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_lidep.f90.o -c ../src/lidep.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/lidep.f90:520:49: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:520:27: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:534:15: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:536:44: 536 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:520:45: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:534:45: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:536:35: 536 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:17: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:35: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:534:42: 534 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/lidep.f90:520:53: 520 | subroutine orthgsolve2(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:473:48: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:473:26: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘full’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:491:36: 491 | real(wp),allocatable :: Haux(:,:),Paux(:,:) | 1 Warning: Unused variable ‘haux’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:15: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:489:44: 489 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘ifail’ declared at (1) [-Wunused-variable] ../src/lidep.f90:473:44: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:487:45: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/lidep.f90:489:35: 489 | integer, allocatable :: iwork(:),ifail(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:17: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:35: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/lidep.f90:487:42: 487 | integer :: i,j,info,lwork,liwork,nfound,iu | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/lidep.f90:491:46: 491 | real(wp),allocatable :: Haux(:,:),Paux(:,:) | 1 Warning: Unused variable ‘paux’ declared at (1) [-Wunused-variable] ../src/lidep.f90:473:52: 473 | subroutine orthgsolve(full,ndim,cutdim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘s’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:433:20: 433 | integer :: i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lidep.f90:433:22: 433 | integer :: i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/lidep.f90:423:31: 423 | subroutine buildtrafoX(ndim,ssq,U,sisq,newdim,X) | 1 Warning: Unused dummy argument ‘ssq’ at (1) [-Wunused-dummy-argument] ../src/lidep.f90:364:24: 364 | integer :: i,j,imax | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/lidep.f90:364:19: 364 | integer :: i,j,imax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/lidep.f90:173:16: 173 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/lidep.f90:177:34: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1 Warning: Unused variable ‘p’ declared at (1) [-Wunused-variable] ../src/lidep.f90:177:42: 177 | real(wp),allocatable :: P(:,:),P2(:,:) | 1 Warning: Unused variable ‘p2’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:19: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘ierr’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:25: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/lidep.f90:124:27: 124 | integer :: ierr,i,j,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] [211/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_lopt.f90.o -c ../src/lopt.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:39:18: 39 | integer :: auxi | 1 Warning: Unused variable ‘auxi’ declared at (1) [-Wunused-variable] [212/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_printout.f90.o -c ../src/printout.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/printout.f90:74:19: 74 | real(wp) :: dum5 | 1 Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable] ../src/printout.f90:72:15: 72 | integer :: i,l,err | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/printout.f90:59:32: 59 | subroutine setup_summary(iunit,n,fname,xcontrol,wfx,xrc) | 1 Warning: Unused dummy argument ‘n’ at (1) [-Wunused-dummy-argument] ../src/printout.f90:59:51: 59 | subroutine setup_summary(iunit,n,fname,xcontrol,wfx,xrc) | 1 Warning: Unused dummy argument ‘wfx’ at (1) [-Wunused-dummy-argument] ../src/printout.f90:38:43: 38 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [213/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_gfn0.f90.o -c ../src/xtb/gfn0.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/gfn0.f90:792:22: 792 | integer :: iZp, iSh | 1 Warning: Unused variable ‘ish’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:792:17: 792 | integer :: iZp, iSh | 1 Warning: Unused variable ‘izp’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:33: 791 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘lang’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:791:27: 791 | integer :: mShell, nPrim, lAng | 1 Warning: Unused variable ‘nprim’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:793:27: 793 | logical :: valShell(0:3) | 1 Warning: Unused variable ‘valshell’ declared at (1) [-Wunused-variable] ../src/xtb/gfn0.f90:767:35: 767 | subroutine initCoulomb(self, nShell) | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] [214/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_qpot.f90.o -c ../src/qpot.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/qpot.f90:202:48: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/qpot.f90:200:13: 200 | logical da | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:27: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:18: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:26: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘ni’ declared at (1) [-Wunused-variable] ../src/qpot.f90:201:23: 201 | integer iat,i,j,k,nn,ni | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:45: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘pi’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:33: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/qpot.f90:202:30: 202 | real(wp) dx,dy,dz,r,damp,xn,rr,rco,r2,f,pi,a1 | 1 Warning: Unused variable ‘xn’ declared at (1) [-Wunused-variable] ../src/qpot.f90:136:18: 136 | integer i,j,k,l,n | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/qpot.f90:28:26: 28 | character(80) fname,a80 | 1 Warning: Unused variable ‘a80’ declared at (1) [-Wunused-variable] ../src/qpot.f90:26:33: 26 | integer i,j,k,nread,at(natoms) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/qpot.f90:29:13: 29 | logical ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/qpot.f90:28:22: 28 | character(80) fname,a80 | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/qpot.f90:18:29: 18 | subroutine qpotini(natoms,iat,xyz) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] ../src/qpot.f90:26:22: 26 | integer i,j,k,nread,at(natoms) | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/qpot.f90:27:26: 27 | real(wp) xyzf(3,natoms),rij(3) | 1 Warning: Unused variable ‘xyzf’ declared at (1) [-Wunused-variable] ../src/qpot.f90:57:17: 57 | integer n,nn,j,nat,k,nfix | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/qpot.f90:57:23: 57 | integer n,nn,j,nat,k,nfix | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/qpot.f90:88:30: 88 | subroutine rdfix(nat,n,xyz,iat,fname,fixed) | 1 Warning: Unused dummy argument ‘iat’ at (1) [-Wunused-dummy-argument] [215/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_eeq.f90.o -c ../src/xtb/eeq.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [216/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfn_paramset.f90.o -c ../src/gfn_paramset.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:47:42: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:47:34: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:47:50: 47 | subroutine set_gfn0_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:42: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:34: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:37:50: 37 | subroutine set_gfn2_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:42: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘globpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:34: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xpar’ at (1) [-Wunused-dummy-argument] ../src/gfn_paramset.f90:28:50: 28 | subroutine set_gfn1_parameter(xpar,globpar,xtbData) | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] [217/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_disp_encharges.f90.o -c ../src/disp/encharges.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [218/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_readin.f90.o -c ../src/readin.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/readin.f90:337:31: 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.f90:350:31: 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] [219/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_shiftlp.f90.o -c ../src/shiftlp.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/shiftlp.f90:19:23: 19 | subroutine shiftlp(n,at,ia1,xyz,ex,ey,ez) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/shiftlp.f90: In function ‘shiftlp_’: ../src/shiftlp.f90:64:11: warning: ‘xsave’ may be used uninitialized [-Wmaybe-uninitialized] 64 | ex=xsave | ^ ../src/shiftlp.f90:25:49: note: ‘xsave’ was declared here 25 | real(wp) r0,r1,r2,exmin,eymin,ezmin,rmin,xsave,ysave,zsave,rmax | ^ ../src/shiftlp.f90:65:11: warning: ‘ysave’ may be used uninitialized [-Wmaybe-uninitialized] 65 | ey=ysave | ^ ../src/shiftlp.f90:25:55: note: ‘ysave’ was declared here 25 | real(wp) r0,r1,r2,exmin,eymin,ezmin,rmin,xsave,ysave,zsave,rmax | ^ ../src/shiftlp.f90:66:11: warning: ‘zsave’ may be used uninitialized [-Wmaybe-uninitialized] 66 | ez=zsave | ^ ../src/shiftlp.f90:25:61: note: ‘zsave’ was declared here 25 | real(wp) r0,r1,r2,exmin,eymin,ezmin,rmin,xsave,ysave,zsave,rmax | ^ [220/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_reader_turbomole.f90.o -c ../src/io/reader/turbomole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [221/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_esp.f.o -c ../src/esp.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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:258:46: 258 | real*8 xyza(3),xyzb(3),rab,est,gama,arg,cc | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/esp.f:256:21: 256 | integer i,j,k,l,iprimcount,jprimcount | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/esp.f:257:45: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/esp.f:257:48: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/esp.f:257:40: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/esp.f:257:42: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/esp.f:257:51: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/esp.f:257:54: 257 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/esp.f:196:45: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/esp.f:196:37: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/esp.f:196:41: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable] ../src/esp.f:180:41: 180 | subroutine espints(n,nbf,xyz,intcut,point,pthr,P, | 1 Warning: Unused dummy argument ‘intcut’ at (1) [-Wunused-dummy-argument] ../src/esp.f:194:21: 194 | integer i,j,k,l,iprimcount,jprimcount,ppp | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/esp.f:195:45: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/esp.f:195:48: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/esp.f:195:40: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/esp.f:195:42: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/esp.f:195:51: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/esp.f:195:54: 195 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/esp.f:196:33: 196 | real*8 xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/esp.f:197:25: 197 | real*8 tt1,ttt,thr,cce,pthr2 | 1 Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] [222/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_shake_module.f90.o -c ../src/shake_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:163:18: 163 | real(wp) vel(3) | 1 Warning: Unused variable ‘vel’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:161:20: 161 | real(wp) virsh(3),tstep | 1 Warning: Unused variable ‘virsh’ declared at (1) [-Wunused-variable] ../src/shake_module.f90:50:19: 50 | integer :: nbond | 1 Warning: Unused variable ‘nbond’ declared at (1) [-Wunused-variable] ../src/shake_module.f90: In function ‘__xtb_shake_MOD_init_shake’: ../src/shake_module.f90:89:15: warning: ‘jmin’ may be used uninitialized [-Wmaybe-uninitialized] 89 | if(at(jmin).eq.1) then | ^ ../src/shake_module.f90:53:30: note: ‘jmin’ was declared here 53 | integer :: iat,jat,i,j,jmin | ^ [223/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_reader_orca.f90.o -c ../src/io/reader/orca.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/io/reader/orca.f90:50:41: 50 | integer :: error, ndim, ii, jj, jbatch, iline | 1 Warning: Unused variable ‘jbatch’ declared at (1) [-Wunused-variable] ../src/io/reader/orca.f90:38:47: 38 | subroutine readHessianOrca(hessian, reader, mol, status, iomsg) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] [224/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_filetools.F90.o -c ../src/filetools.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] [225/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_io_reader.f90.o -c ../src/io/reader.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [226/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_single.f90.o -c ../src/single.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/single.f90:43:50: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/single.f90:43:16: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/single.f90:43:46: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘lgrad’ at (1) [-Wunused-dummy-argument] ../src/single.f90:43:24: 43 | & egap,et,maxiter,prlevel,restart,lgrad,acc,etot,g,sigma,res) | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/single.f90:48:24: 48 | type(tb_pcem) :: pcem | 1 Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable] [227/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_embedding.f90.o -c ../src/embedding.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:66:30: 66 | subroutine read_pcem(iunit,env,pcem,jData) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] [228/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_slater.f90.o -c ../src/slater.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [229/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_metadynamic.f90.o -c ../src/metadynamic.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/metadynamic.f90:195:41: 195 | subroutine set_metadynamic(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:113:39: 113 | subroutine load_rmsdbias(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:113:43: 113 | subroutine load_rmsdbias(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:91:46: 91 | subroutine load_metadynamic(metavar,nat,at,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:21:37: 21 | subroutine metadynamic(metavar,nat,at,xyz,ebias,g) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/metadynamic.f90:36:18: 36 | integer :: i,j,k,iref,iat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/metadynamic.f90:36:20: 36 | integer :: i,j,k,iref,iat | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/metadynamic.f90: In function ‘__xtb_metadynamic_MOD_load_rmsdbias’: ../src/metadynamic.f90:141:46: warning: ‘unit’ may be used uninitialized [-Wmaybe-uninitialized] 141 | open(unit, file=metavar%fname, iostat=stat) | ^ ../src/metadynamic.f90:126:40: note: ‘unit’ declared here 126 | integer :: ii, nn, mm, cc, stat, unit | ^ [230/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_spline2.f90.o -c ../src/spline2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [231/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_spline3.f90.o -c ../src/spline3.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/spline3.f90:151:27: 151 | integer ( kind = 4 ) info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] [232/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_splitparam.f90.o -c ../src/splitparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/splitparam.f90:94:25: 94 | subroutine cmafrag(nat,at,xyz,r1,r2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/splitparam.f90:67:18: 67 | real(wp) :: r,f,rco | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/splitparam.f90:66:20: 66 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [233/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_basisset.f90.o -c ../src/xtb/basisset.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:40:19: 40 | integer :: elem,valao | 1 Warning: Unused variable ‘elem’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:16: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:34: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:37: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘k2’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:78: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘npqr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:47: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘pp’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:41:82: 41 | integer :: i,j,m,l,iat,ati,ish,ibf,iao,ipr,p,nprim,thisprimR,idum,npq,npqR,pqn | 1 Warning: Unused variable ‘pqn’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:61: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘qi’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:44: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘split1’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:58: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘zcnfr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:42:52: 42 | real(wp) :: a(10),c(10),zeta,k1,k2,split1,pp,zqfR,zcnfR,qi,level | 1 Warning: Unused variable ‘zqfr’ declared at (1) [-Wunused-variable] ../src/xtb/basisset.f90:407:25: 407 | subroutine set_s_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao) | ^ Warning: ‘set_s_function’ defined but not used [-Wunused-function] ../src/xtb/basisset.f90:450:25: 450 | subroutine set_p_function(basis,iat,ish,iao,ibf,ipr,npq,l,nprim,zeta,level,valao) | ^ Warning: ‘set_p_function’ defined but not used [-Wunused-function] [234/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_read_gfn_param.f90.o -c ../src/read_gfn_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/read_gfn_param.f90:30:44: 30 | (env, iunit,globpar,xtbData,initialize) | 1 Warning: Unused dummy argument ‘initialize’ at (1) [-Wunused-dummy-argument] [235/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_axis_trafo.f90.o -c ../src/axis_trafo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/axis_trafo.f90:369:5: 369 | 80 evec(j,1)=-evec(j,1) | 1 Warning: Label 80 at (1) defined but not used [-Wunused-label] ../src/axis_trafo.f90:305:34: 305 | subroutine axis3(mode,numat,nat,coord,coordout,eig) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:206:30: 206 | subroutine axisvec(numat,nat,xyz,aa,bb,cc,evec) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:115:28: 115 | subroutine axis2(numat,nat,xyz,aa,bb,cc,avmom,sumw) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/axis_trafo.f90:21:27: 21 | subroutine axis(numat,nat,xyz,aa,bb,cc) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] [236/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_geosum.f90.o -c ../src/geosum.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/geosum.f90:34:22: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:16: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:28: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:35:26: 35 | integer nt,a,b,ia,ib,ja,jb,ii,jj,lin,linij | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:26: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/geosum.f90:33:34: 33 | integer i, j, nn, k, imin, jmin, iat1, iat2 | 1 Warning: Unused variable ‘jmin’ declared at (1) [-Wunused-variable] ../src/geosum.f90:34:13: 34 | integer nm,ij,m,iat,jat, nsel | 1 Warning: Unused variable ‘nm’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:20: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘xxx’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:24: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘yyy’ declared at (1) [-Wunused-variable] ../src/geosum.f90:31:28: 31 | real*8 brad,r,xxx,yyy,zzz,avv | 1 Warning: Unused variable ‘zzz’ declared at (1) [-Wunused-variable] [237/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_main_geometry.f90.o -c ../src/main/geometry.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:132:18: 132 | integer :: iat,jat | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:133:19: 133 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:133:24: 133 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:18: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:132:22: 132 | integer :: iat,jat | 1 Warning: Unused variable ‘jat’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:20: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:22: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:131:24: 131 | integer :: i,j,k,l,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:149:25: 149 | real(wp) :: moments(3) | 1 Warning: Unused variable ‘moments’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:323:18: 323 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:323:23: 323 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:462:29: 462 | subroutine calc_torsions(n,at,xyz,bond,maxtrsn,ntrsn,trsn,it) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/geometry.f90:290:18: 290 | integer :: imax,imin | 1 Warning: Unused variable ‘imax’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:290:23: 290 | integer :: imax,imin | 1 Warning: Unused variable ‘imin’ declared at (1) [-Wunused-variable] ../src/main/geometry.f90:419:27: 419 | subroutine calc_angles(n,at,xyz,bond,maxbend,nbend,bend,ib) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] [238/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_docking_param.f90.o -c ../src/docking/param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/docking/param.f90:1014:41: 1014 | real(wp) :: dx, dy, dz, r, damp, rr, rco, r2 | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:995:20: 995 | integer :: iat, i, j | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:995:26: 995 | integer :: iat, i, j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:969:37: 969 | real(wp) :: r, tr, xi(3), cntmp | 1 Warning: Unused variable ‘cntmp’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:969:19: 969 | real(wp) :: r, tr, xi(3), cntmp | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:897:29: 897 | & lmo1, lmo2, rlmo1, rlmo2) | 1 Warning: Unused dummy argument ‘lmo1’ at (1) [-Wunused-dummy-argument] ../src/docking/param.f90:897:35: 897 | & lmo1, lmo2, rlmo1, rlmo2) | 1 Warning: Unused dummy argument ‘lmo2’ at (1) [-Wunused-dummy-argument] ../src/docking/param.f90:708:18: 708 | integer :: i, j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:575:18: 575 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:562:18: 562 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/param.f90:325:59: 325 | 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.f90:325:63: 325 | 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] ../src/docking/param.f90: In function ‘__xtb_docking_param_MOD_rot4’: ../src/docking/param.f90:578:29: warning: ‘__var_11_mmb.offset’ is used uninitialized [-Wuninitialized] 578 | tmp = matmul(rotm, tmp) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_11_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:578:29: warning: ‘__var_11_mmb.dim[0].lbound’ is used uninitialized [-Wuninitialized] 578 | tmp = matmul(rotm, tmp) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_11_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:578:29: warning: ‘__var_11_mmb.dim[0].ubound’ is used uninitialized [-Wuninitialized] 578 | tmp = matmul(rotm, tmp) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_11_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:578:29: warning: ‘__var_11_mmb.dim[1].lbound’ is used uninitialized [-Wuninitialized] 578 | tmp = matmul(rotm, tmp) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_11_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:578:29: warning: ‘__var_11_mmb.dim[1].ubound’ is used uninitialized [-Wuninitialized] 578 | tmp = matmul(rotm, tmp) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_11_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90: In function ‘__xtb_docking_param_MOD_rot3’: ../src/docking/param.f90:564:29: warning: ‘__var_7_mmb.offset’ is used uninitialized [-Wuninitialized] 564 | xyz = matmul(rotm, xyz) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_7_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:564:29: warning: ‘__var_7_mmb.dim[0].lbound’ is used uninitialized [-Wuninitialized] 564 | xyz = matmul(rotm, xyz) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_7_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:564:29: warning: ‘__var_7_mmb.dim[0].ubound’ is used uninitialized [-Wuninitialized] 564 | xyz = matmul(rotm, xyz) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_7_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:564:29: warning: ‘__var_7_mmb.dim[1].lbound’ is used uninitialized [-Wuninitialized] 564 | xyz = matmul(rotm, xyz) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_7_mmb’ declared here 1231 | end module xtb_docking_param | ^ ../src/docking/param.f90:564:29: warning: ‘__var_7_mmb.dim[1].ubound’ is used uninitialized [-Wuninitialized] 564 | xyz = matmul(rotm, xyz) | ^ ../src/docking/param.f90:1231:28: note: ‘__var_7_mmb’ declared here 1231 | end module xtb_docking_param | ^ [239/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_scc_core.f90.o -c ../src/scc_core.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:1462:23: 1462 | real(wp) ntot,fracz | 1 Warning: Unused variable ‘fracz’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1450:59: 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.f90:1463:41: 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.f90:1463:36: 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.f90:1416:59: 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.f90:1427:45: 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.f90:1427:40: 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.f90:1397:17: 1397 | integer i,j,ii,jj,js,mmm(20) | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1355:23: 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.f90:1323:23: 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.f90:1274:23: 1274 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1274:26: 1274 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1274:29: 1274 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1245:23: 1245 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1245:26: 1245 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘is’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1245:29: 1245 | integer i,j,ii,jj,ij,is,js | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:1194:44: 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.f90:1159:31: 1159 | subroutine get_wiberg(n,ndim,at,xyz,P,S,wb,fila2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:970:31: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:34: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:24: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:28: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:970:26: 970 | integer :: ncycle,i,j,m,k,i1,i2 | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:874:36: 874 | subroutine solve(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:886:12: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:42: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:14: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:46: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:886:39: 886 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:20: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:23: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:14: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:889:17: 889 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:772:37: 772 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:787:35: 787 | real(wp),allocatable :: aux (:) | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:12: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:772:33: 772 | subroutine solve4(full,ndim,ihomo,acc,H,S,X,P,e,fail) | 1 Warning: Unused dummy argument ‘ihomo’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:785:42: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘iu’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:14: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:46: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nbf’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:785:39: 785 | integer i,j,info,lwork,liwork,nfound,iu,nbf | 1 Warning: Unused variable ‘nfound’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:20: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:23: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:14: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:788:17: 788 | real(wp) w0,w1,t0,t1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:729:31: 729 | pure subroutine setespot(nshell, qsh, jmat, shellShift) | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:704:21: 704 | real(wp) :: rab,k1,rr,r,rf1,rf2,dx,dy,dz,a | 1 Warning: Unused variable ‘k1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:655:28: 655 | pure subroutine electro(n,at,nbf,nshell,ies,H0,P,dq,dqsh,es,scc) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:668:18: 668 | real(wp) :: ehb ! not used | 1 Warning: Unused variable ‘ehb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:671:18: 671 | real(wp) :: h,t | 1 Warning: Unused variable ‘t’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:22: 368 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:18: 368 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:19: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:366:21: 366 | integer :: ishell,jshell | 1 Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:24: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:366:28: 366 | integer :: ishell,jshell | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:29: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:31: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:365:33: 365 | integer :: i,ii,j,jj,k,kk,l,m | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:241:23: 241 | & minpr,pr, & | 1 Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:231:33: 231 | & q,dipm,qp,qq,qlmom,qsh,zsh, & | 1 Warning: Unused dummy argument ‘qlmom’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:367:17: 367 | real(wp) :: t8,t9 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:367:20: 367 | real(wp) :: t8,t9 | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:368:26: 368 | real(wp) :: eh1,dum,tgb | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:239:35: 239 | & H0,H,S,dpint,qpint,X,P,ies, & | 1 Warning: Unused dummy argument ‘x’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:229:26: 229 | subroutine scc(env,xtbData,solver,n,nel,nopen,ndim,ndp,nqp,nmat,nshell, & | 1 Warning: Unused dummy argument ‘xtbdata’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:151:61: 151 | H,S,dpint,qpint,vs,vd,vq,aoat2,ao2sh) | 1 Warning: Unused dummy argument ‘ao2sh’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:150:32: 150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:176:21: 176 | integer :: ishell,jshell | 1 Warning: Unused variable ‘ishell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:176:28: 176 | integer :: ishell,jshell | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:175:23: 175 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:150:44: 150 | subroutine addAnisotropicH1(n,at,ndim,nshell,nmat,ndp,nqp,matlist,mdlst,mqlst,& | 1 Warning: Unused dummy argument ‘nshell’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:177:25: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:177:28: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:177:32: 177 | real(wp) :: dum,eh1,t8,t9,tgb | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:111:32: 111 | & H0, S, shellShift, aoat2, ao2sh) | 1 Warning: Unused dummy argument ‘aoat2’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:110:33: 110 | subroutine buildIsotropicH1(n, at, ndim, nshell, nmat, matlist, H, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/scc_core.f90:129:18: 129 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:17: 128 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:20: 128 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:128:23: 128 | integer :: ii,jj,kk | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:21: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:24: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘t9’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:130:28: 130 | real(wp) :: eh1,t8,t9,tgb,h1 | 1 Warning: Unused variable ‘tgb’ declared at (1) [-Wunused-variable] ../src/scc_core.f90:729:24: 729 | pure subroutine setespot(nshell, qsh, jmat, shellShift) | ^ Warning: ‘setespot’ defined but not used [-Wunused-function] [240/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gfnff_qm.f90.o -c ../src/gfnff/gfnff_qm.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_qm.f90:22:26: 22 | subroutine gfnffqmsolve(pr,A,S,ovlp,et,ndim,nopen,nel,eel,focc,e) | 1 Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] [241/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_grad_core.f90.o -c ../src/grad_core.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/grad_core.f90:33:41: 33 | integer, private, parameter :: mmm(20)=(/1,2,2,2,3,3,3,3,3,3,4,4,4,4,4,4,4,4,4,4/) | 1 Warning: Unused PRIVATE module variable ‘mmm’ declared at (1) [-Wunused-value] ../src/grad_core.f90:47:35: 47 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:47:39: 47 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘rf1’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:47:43: 47 | real(wp) :: rab,k1,k2,rr,r,a,dum,rf1,rf2,dx,dy,dz | 1 Warning: Unused variable ‘rf2’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:42: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t10’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:46: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t11’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:54: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t13’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:34: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t20’ declared at (1) [-Wunused-variable] ../src/grad_core.f90:48:50: 48 | real(wp) :: t14,t15,t17,t22,t20,t23,t10,t11,t35,t13 | 1 Warning: Unused variable ‘t35’ declared at (1) [-Wunused-variable] [242/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_intmodes.f90.o -c ../src/intmodes.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/intmodes.f90:897:26: 897 | pure subroutine cma(nat,at,xyz,sum3) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:275:18: 275 | integer :: i,j,k,m,nm,ntot,mm | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:275:33: 275 | integer :: i,j,k,m,nm,ntot,mm | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:264:33: 264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,& | 1 Warning: Unused dummy argument ‘molvec’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:264:40: 264 | subroutine cart2zmat(xyzin,molvec,at,nat,n,n2,nmol,& | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:276:16: 276 | real(wp) :: r,sum3(3),one | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:106:21: 106 | subroutine bzmat(n,at,xyzin,bmat) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/intmodes.f90:117:23: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:29: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:117:26: 117 | integer :: i,k,n3,ia,ii,ic,n36,j,kl | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:37:28: 37 | integer k,j,kl,l,lend,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/intmodes.f90:36:16: 36 | real(wp) norm | 1 Warning: Unused variable ‘norm’ declared at (1) [-Wunused-variable] [243/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_pocketscan.f90.o -c ../src/pocketscan.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/pocketscan.f90:120:30: 120 | subroutine pocketrotation(n,at,xyz,cma,trfm,ifrag,npath,xyzpath) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/pocketscan.f90:243:16: 243 | integer i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90:234:30: 234 | subroutine ifaceaxis(numat,nat,coord,cma1,trfm1,cma2,trfm2) | 1 Warning: Unused dummy argument ‘nat’ at (1) [-Wunused-dummy-argument] ../src/pocketscan.f90:32:20: 32 | character*2 dummy | 1 Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90:28:22: 28 | integer n,at(n),i,j,k,ios,ierr,npath,nout | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/pocketscan.f90: In function ‘pocketrotation_’: ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.offset’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[0].lbound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[0].ubound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[1].lbound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ ../src/pocketscan.f90:150:33: warning: ‘__var_1_mmb.dim[1].ubound’ is used uninitialized [-Wuninitialized] 150 | turncrd0=matmul(trfm,turncrd0) | ^ ../src/pocketscan.f90:22:21: note: ‘__var_1_mmb’ declared here 22 | subroutine pocketscan(n,at,xyz,nout) | ^ [244/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_constr.f90.o -c ../src/constr.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constr.f90:174:13: 174 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘c1’ declared at (1) [-Wunused-variable] ../src/constr.f90:174:60: 174 | real(wp)c1,phi0,phi,dphi1,x1cos,x1sin,dij,valijkl,ff,dum1,dum2 | 1 Warning: Unused variable ‘dum1’ declared at (1) [-Wunused-variable] ../src/constr.f90:173:66: 173 | real(wp)c0,rab2,rcb2,theta,dt,rmul1,rmul2,deddt,rp,cosa,ea,vlen,d | 1 Warning: Unused variable ‘vlen’ declared at (1) [-Wunused-variable] ../src/constr.f90:495:42: 495 | & sinphi,cosphi,onenner,thab,thbc,& | 1 Warning: Unused variable ‘thab’ declared at (1) [-Wunused-variable] ../src/constr.f90:495:47: 495 | & sinphi,cosphi,onenner,thab,thbc,& | 1 Warning: Unused variable ‘thbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:500:52: 500 | & xyz(3,nat),phi,vecnorm,nenner,eps,vz | 1 Warning: Unused variable ‘vz’ declared at (1) [-Wunused-variable] ../src/constr.f90:653:15: 653 | & rab,rbc,thab,thbc,valijk,& | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/constr.f90:653:19: 653 | & rab,rbc,thab,thbc,valijk,& | 1 Warning: Unused variable ‘rbc’ declared at (1) [-Wunused-variable] ../src/constr.f90:654:31: 654 | & vecnorm,nan,nbn,rcn,snanb,deter,pi,test,& | 1 Warning: Unused variable ‘rcn’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:26: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘a1’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:29: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘a2’ declared at (1) [-Wunused-variable] ../src/constr.f90:87:23: 87 | real(wp) phi,valijkl,a1,a2 | 1 Warning: Unused variable ‘valijkl’ declared at (1) [-Wunused-variable] ../src/constr.f90:777:27: 777 | & vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rkjn’ declared at (1) [-Wunused-variable] ../src/constr.f90:777:32: 777 | & vecnorm,rkjn,rljn,rnn,rvn | 1 Warning: Unused variable ‘rljn’ declared at (1) [-Wunused-variable] [245/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_hessian.F90.o -c ../src/hessian.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/hessian.F90:515:43: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘a’ declared at (1) [-Wunused-variable] ../src/hessian.F90:515:45: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/hessian.F90:489:11: 489 | & env,mol,hbias) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:515:19: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/hessian.F90:515:21: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/hessian.F90:515:23: 515 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,a,b | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/hessian.F90:76:24: 76 | type(TRestart) :: chk | 1 Warning: Unused variable ‘chk’ declared at (1) [-Wunused-variable] ../src/hessian.F90:80:43: 80 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1 Warning: Unused variable ‘dipole’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:46: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:42: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘dumi’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:19: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘dumj’ declared at (1) [-Wunused-variable] ../src/hessian.F90:67:20: 67 | real(wp) :: ebias | 1 Warning: Unused variable ‘ebias’ declared at (1) [-Wunused-variable] ../src/hessian.F90:66:18: 66 | real(wp) :: eel | 1 Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable] ../src/hessian.F90:113:17: 113 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:15: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:33:28: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘etot’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:111:16: 111 | logical :: ex,rd | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/hessian.F90:114:46: 114 | character(len=:),allocatable :: hname,fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:31: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘gr’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:79:59: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:54: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘hof’ declared at (1) [-Wunused-variable] ../src/hessian.F90:112:17: 112 | integer :: ich ! file handle | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/hessian.F90:83:33: 83 | integer :: nread,kend,lowmode | 1 Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/hessian.F90:33:23: 33 | & egap,et,maxiter,etot,gr,sr,res) | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/hessian.F90:89:20: 89 | !$ integer :: nproc | 1 Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable] ../src/hessian.F90:83:20: 83 | integer :: nread,kend,lowmode | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/hessian.F90:82:59: 82 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj | 1 Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:21: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/hessian.F90:82:62: 82 | integer :: n3,i,j,k,ic,jc,ia,ja,ii,jj,info,lwork,a,b,ri,rj | 1 Warning: Unused variable ‘rj’ declared at (1) [-Wunused-variable] ../src/hessian.F90:77:33: 77 | type(scc_results) :: sccr,sccl | 1 Warning: Unused variable ‘sccl’ declared at (1) [-Wunused-variable] ../src/hessian.F90:81:31: 81 | real(wp) :: trpol(3),sl(3,3) | 1 Warning: Unused variable ‘sl’ declared at (1) [-Wunused-variable] ../src/hessian.F90:80:19: 80 | real(wp) :: sum1,sum2,trdip(3),dipole(3) | 1 Warning: Unused variable ‘sum1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:37: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:34: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:109:26: 109 | type(TMolecule) :: tmol | 1 Warning: Unused variable ‘tmol’ declared at (1) [-Wunused-variable] ../src/hessian.F90:81:23: 81 | real(wp) :: trpol(3),sl(3,3) | 1 Warning: Unused variable ‘trpol’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:26: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/hessian.F90:79:29: 79 | real(wp) :: dumj,acc,w0,w1,step2,aa,bb,cc,scalh,hof,h298 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/hessian.F90:78:31: 78 | real(wp) :: rij(3),step,zpve,t1,t0,dumi,dum,xsum | 1 Warning: Unused variable ‘zpve’ declared at (1) [-Wunused-variable] ../src/hessian.F90: In function ‘__xtb_hessian_MOD_distort’: ../src/hessian.F90:621:17: warning: ‘xyz2.offset’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[0].lbound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[0].ubound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[1].lbound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ ../src/hessian.F90:621:17: warning: ‘xyz2.dim[1].ubound’ is used uninitialized [-Wuninitialized] 621 | xyz2 = mol%xyz | ^ ../src/hessian.F90:618:37: note: ‘xyz2’ declared here 618 | real(wp), allocatable :: xyz2(:,:) | ^ [246/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_dynamic.f90.o -c ../src/dynamic.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:897:14: 897 | real x,ranf | 1 Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:862:35: 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.f90:858:14: 858 | real x,ranf | 1 Warning: Unused variable ‘ranf’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:835:40: 835 | character(len=:),allocatable :: fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:787:23: 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.f90:180:38: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘b0’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:32: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘be’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:177:47: 177 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt | 1 Warning: Unused variable ‘cma’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:177:40: 177 | real(wp) :: Tinit,Tav,T,epav,ekav,dav,cma(3),bave,bavt | 1 Warning: Unused variable ‘dav’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:49: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:178:18: 178 | real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:175:24: 175 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1 Warning: Unused variable ‘eel1’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:182:17: 182 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:202:19: 202 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:200:40: 200 | character(len=:),allocatable :: fname | 1 Warning: Unused variable ‘fname’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:184:28: 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.f90:184:58: 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.f90:184:22: 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.f90:184:34: 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.f90:184:31: 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.f90:184:25: 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.f90:184:37: 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.f90:182:59: 182 | logical :: ex,thermostat,restart,confdump,equi,gmd,ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:184:42: 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.f90:175:19: 175 | real(wp) :: step,eel1,tstep,taut,xlam2,accu,driftthr | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:193:36: 193 | real(wp),allocatable :: tmpx(:,:) | 1 Warning: Unused variable ‘tmpx’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:180:42: 180 | real(wp) :: tors(mol%n),be(3),b0(3),tor,dip(3) | 1 Warning: Unused variable ‘tor’ declared at (1) [-Wunused-variable] ../src/dynamic.f90:178:37: 178 | real(wp) :: dum,edum,eerror,xx(10),molmass,slope,maxtime | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/dynamic.f90: In function ‘__xtb_dynamic_MOD_md’: ../src/dynamic.f90:633:15: 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.f90:196:38: 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.f90:196:38: note: ‘intgeo.offset’ was declared here 196 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^ ../src/dynamic.f90:649:45: warning: ‘intgeoav.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 649 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:197:40: note: ‘intgeoav.dim[0].ubound’ was declared here 197 | real(wp),allocatable :: intgeoav(:,:),tmpg(:,:) | ^ ../src/dynamic.f90:649:45: warning: ‘intgeoav.dim[1].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 649 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:197:40: note: ‘intgeoav.dim[1].ubound’ was declared here 197 | real(wp),allocatable :: intgeoav(:,:),tmpg(:,:) | ^ ../src/dynamic.f90:649:45: warning: ‘intgeo.dim[1].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 649 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:196:38: note: ‘intgeo.dim[1].lbound’ was declared here 196 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^ ../src/dynamic.f90:649:45: warning: ‘intgeo.dim[0].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 649 | intgeoav = intgeoav + intgeo-intgeo0 | ^ ../src/dynamic.f90:196:38: note: ‘intgeo.dim[0].lbound’ was declared here 196 | real(wp),allocatable :: intgeo(:,:),intgeo0(:,:) | ^ [247/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_hamiltonian.f90.o -c ../src/xtb/hamiltonian.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/hamiltonian.f90:612:49: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:61: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:35: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:43: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:14: 613 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:613:17: 613 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:14: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:38: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:41: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:35: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:44: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:18: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:29: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:20: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:47: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:50: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:617:32: 617 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:566:16: 566 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:566:21: 566 | & nat, nao, nbf, at, xyz, caoshell, saoshell, nprim, primcount, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:614:47: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:57: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:48: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:18: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:21: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:37: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:44: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:25: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:34: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:614:43: 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:615:30: 615 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:57: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:53: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:48: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:15: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:616:22: 616 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:31: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:37: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:43: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:27: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:30: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:33: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:36: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:16: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:21: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:611:26: 611 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:612:24: 612 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:49: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:61: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:35: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:43: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:413:14: 413 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:413:17: 413 | real(wp) f1,f2,point(3),tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:53: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:14: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:38: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:41: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:35: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:44: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:18: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:29: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:20: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:47: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:50: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:417:32: 417 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:368:75: 368 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:368:80: 368 | subroutine build_dSDQH0(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:414:47: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:57: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:48: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:18: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:21: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:37: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:44: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:414:25: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:414:34: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:414:43: 414 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:415:30: 415 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:57: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:53: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:48: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:15: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:416:22: 416 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:31: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:37: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:43: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:27: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:30: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:33: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:36: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:16: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:21: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:411:26: 411 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:412:24: 412 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:49: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:52: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:190:19: 190 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:14: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:17: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:20: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dz’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:43: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:189:27: 189 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:189:30: 189 | real(wp) ra(3),rb(3),f1,f2,point(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:14: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:38: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:41: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:35: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:44: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:18: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:29: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:20: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:47: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:50: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:184:32: 184 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:146:50: 146 | subroutine build_SDQH0(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian.f90:190:27: 190 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(3,6,6),qq(6,6,6),tmp(6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:18: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:21: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:34: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:30: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:186:25: 186 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:15: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:36: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:42: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:27: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:30: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:33: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:36: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:41: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:26: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:185:31: 185 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90:187:24: 187 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cc,cj,alpi,rab2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian.f90: In function ‘__xtb_xtb_hamiltonian_MOD_build_dsdqh0_noreset._omp_fn.0’: ../src/xtb/hamiltonian.f90:712:64: warning: ‘stmp’ may be used uninitialized [-Wmaybe-uninitialized] 712 | g_xyz(ixyz) = g_xyz(ixyz)+stmp+dtmp+qtmp | ^ ../src/xtb/hamiltonian.f90:614:16: note: ‘stmp’ was declared here 614 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | ^ [248/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_sphereparam.f90.o -c ../src/sphereparam.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/sphereparam.f90:655:24: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:655:35: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:655:38: 655 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:606:24: 606 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1 | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:606:38: 606 | real(wp) :: rij(3),dr,r,term,dum,r0,r2,rx,ry,rz,term1,term3,a2,am1 | 1 Warning: Unused variable ‘r0’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:512:39: 512 | subroutine polynomial_cavity_all(nat,at,xyz,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:478:40: 478 | subroutine polynomial_cavity_frag(nat,at,xyz,fragment,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:444:40: 444 | subroutine polynomial_cavity_list(nat,at,xyz,nlist,list,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:410:37: 410 | subroutine logfermi_cavity_all(nat,at,xyz,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:374:38: 374 | subroutine logfermi_cavity_frag(nat,at,xyz,fragment,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:338:38: 338 | subroutine logfermi_cavity_list(nat,at,xyz,nlist,list,temp,alpha,center,radius,& | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:154:28: 154 | subroutine getsphererad(n,at,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/sphereparam.f90:160:21: 160 | real(wp) :: dum(3),rx,ry,rz | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:22: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:16: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘x’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:18: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘y’ declared at (1) [-Wunused-variable] ../src/sphereparam.f90:161:20: 161 | real(wp) :: x,y,z,f,rr,r | 1 Warning: Unused variable ‘z’ declared at (1) [-Wunused-variable] [249/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_hamiltonian_gpu.f90.o -c ../src/xtb/hamiltonian_gpu.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:815:62: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘ab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:49: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:61: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘dda’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:35: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ddc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:43: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘f’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:816:14: 816 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:816:17: 816 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:53: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:14: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:38: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:41: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:35: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kk’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:44: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘kl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:29: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:20: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:47: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mi’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:50: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:820:32: 820 | integer i,j,k,l,m,ii,jj,ll,mm,kk,ki,kj,kl,mi,mj,ij,jshmax | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:771:79: 771 | subroutine build_dSDQH0_gpu(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:771:84: 771 | subroutine build_dSDQH0_gpu(nShell, hData, selfEnergy, dSEdcn, intcut, nat, nao, nbf, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:817:47: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘pre’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:57: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘qqa’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:48: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘qqc’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:18: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:21: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:37: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:44: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘r2r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:817:25: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘ral’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:817:34: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rar’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:817:43: 817 | real(wp) stmp,ral(3,3),rar(3,3),rbl(3,3),pre | 1 Warning: Unused variable ‘rbl’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:818:30: 818 | real(wp) dtmp,qtmp,rbr(3,3),r2l(3),r2r(3),qqa(6,6,6,3) | 1 Warning: Unused variable ‘rbr’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:57: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:53: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:48: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:15: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:819:22: 819 | real(wp) ss(6,6,3),ddc(3,6,6,3),qqc(6,6,6,3),dda(3,6,6,3) | 1 Warning: Unused variable ‘ss’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:31: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:37: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:43: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘step3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:27: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:30: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:33: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:36: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:816:26: 816 | real(wp) f1,f2,tmp(6,6),rij(3),ri(3),rj(3) | 1 Warning: Unused variable ‘tmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:16: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:21: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:814:26: 814 | real(wp) tmp1,tmp2,tmp3,step,step2,step3,s00r,s00l,s00,alpj,gama,t(0:8) | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:815:24: 815 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4,thr2,f,ci,cj,alpi,rij2,ab,est | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:238:25: 238 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘cj’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:241:19: 241 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘dtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:242:65: 242 | integer ip,jp,iat,jat,izp,jzp,ish,jsh,icao,jcao,iao,jao,jshmax | 1 Warning: Unused variable ‘jshmax’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:237:18: 237 | integer i,j,k,l,m,ii,jj,ij,ioff,joff,kk | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:199:59: 199 | subroutine build_SDQH0_gpu(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, & | 1 Warning: Unused dummy argument ‘nao’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:199:54: 199 | subroutine build_SDQH0_gpu(nShell, hData, nat, at, nbf, nao, xyz, trans, selfEnergy, & | 1 Warning: Unused dummy argument ‘nbf’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:241:27: 241 | real(wp) dtmp(3),qtmp(6),ss(6,6),dd(6,6,3),qq(6,6,6),tmp(6,6),dd2(3,6,6) | 1 Warning: Unused variable ‘qtmp’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:238:16: 238 | real(wp) thr2,ci,cc,cj,alpi,rab2,ab,est,alpj | 1 Warning: Unused variable ‘thr2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:90:51: 90 | pure subroutine build_dsdq_ints_gpu(a,b,c,alpi,alpj,t,e,la,lb,v,g) | 1 Warning: Unused dummy argument ‘alpj’ at (1) [-Wunused-dummy-argument] ../src/xtb/hamiltonian_gpu.f90:103:30: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:101:20: 101 | real(wp) :: gama,kab | 1 Warning: Unused variable ‘gama’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:33: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘gm’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:101:24: 101 | real(wp) :: gama,kab | 1 Warning: Unused variable ‘kab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:26: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:103:19: 103 | real(wp) :: rab2,rab(3),est,gm | 1 Warning: Unused variable ‘rab2’ declared at (1) [-Wunused-variable] ../src/xtb/hamiltonian_gpu.f90:1065:19: 1065 | subroutine dtrf_gpu(s,li,lj) | ^ Warning: ‘dtrf_gpu’ defined but not used [-Wunused-function] [250/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gfnff_ini.f90.o -c ../src/gfnff/gfnff_ini.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_ini.f90:397:24: 397 | rabd(k, i) = param%rad(mol%at(i)) + param%rad(mol%at(k)) | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/gfnff/gfnff_ini.f90:56:33: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘aat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:29: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘atb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:101:29: 101 | character(len=255) atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:25: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘bat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:79:45: 79 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘cnij’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:37: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘current’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:66:39: 66 | real(wp) shift,dum,dum1,dum2,dum4,qafac,fqq,feta | 1 Warning: Unused variable ‘dum4’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:79:40: 79 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:37: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hat’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:17: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hba’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:56:21: 56 | integer hbA,hbH,Bat,atB,Aat,Hat | 1 Warning: Unused variable ‘hbh’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:79:19: 79 | logical heavy,triple,piat,sp3kl,ex,cnij,frag_charges_known | 1 Warning: Unused variable ‘heavy’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:77: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘jdum’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:69: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘ka’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:25: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘ki’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:50:33: 50 | integer ati,atj,atk,i,j,k,l,lin,nn,ii,jj,kk,ll,m,rings,ia,ja,ij,ix,nnn,idum,ip,ji,no,nbi | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:22: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘maxhb’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:53:29: 53 | integer nm,maxhb,ki,n13,current,ncarbo,mtyp1,mtyp2 | 1 Warning: Unused variable ‘n13’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:48: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘nn1’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:52: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘nn2’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:72:24: 72 | real(wp) fkl,qreps,fbsmall,bohr | 1 Warning: Unused variable ‘qreps’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:51:44: 51 | integer ineig,jneig,nrot,bbtyp,ringtyp,nn1,nn2,hybi,hybj,pis,ka,nh,jdum,hcalc,nc | 1 Warning: Unused variable ‘ringtyp’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:78:60: 78 | logical lring,picon,notpicon,bridge,sp3ij,ccij,success | 1 Warning: Unused variable ‘success’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90:71:21: 71 | real(wp) xx(20) | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/gfnff/gfnff_ini.f90: In function ‘specialtorslist.1’: ../src/gfnff/gfnff_ini.f90:1936:41: warning: ‘jj’ may be used uninitialized [-Wmaybe-uninitialized] 1936 | & .and.mol%at(jj).eq.6.and.mol%at(kk).eq.6) then | ^ ../src/gfnff/gfnff_ini.f90:1911:24: note: ‘jj’ was declared here 1911 | integer :: i,j,k,ii,jj,kk,ll,idx | ^ ../src/gfnff/gfnff_ini.f90:1936:41: warning: ‘kk’ may be used uninitialized [-Wmaybe-uninitialized] 1936 | & .and.mol%at(jj).eq.6.and.mol%at(kk).eq.6) then | ^ ../src/gfnff/gfnff_ini.f90:1911:27: note: ‘kk’ was declared here 1911 | integer :: i,j,k,ii,jj,kk,ll,idx | ^ ../src/gfnff/gfnff_ini.f90: In function ‘__xtb_gfnff_ini_MOD_gfnff_ini’: ../src/gfnff/gfnff_ini.f90:541:41: warning: ‘ifrag’ may be used uninitialized [-Wmaybe-uninitialized] 541 | dum2=topo%qfrag(ifrag) ! save | ^ ../src/gfnff/gfnff_ini.f90:55:51: note: ‘ifrag’ was declared here 55 | integer qloop_count,nf,nsi,nmet,nhi,nhj,ifrag | ^ [251/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_local.f90.o -c ../src/local.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:72:29: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘aa’ declared at (1) [-Wunused-variable] ../src/local.f90:73:28: 73 | character(len=80) :: atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/local.f90:72:32: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘bb’ declared at (1) [-Wunused-variable] ../src/local.f90:72:35: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘cc’ declared at (1) [-Wunused-variable] ../src/local.f90:70:25: 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.f90:20:72: 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.f90:66:47: 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.f90:66:29: 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.f90:66:34: 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.f90:61:33: 61 | integer, allocatable :: ind(:) | 1 Warning: Unused variable ‘ind’ declared at (1) [-Wunused-variable] ../src/local.f90:77:34: 77 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/local.f90:65:46: 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.f90:65:50: 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.f90:66:39: 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.f90:66:44: 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.f90:77:22: 77 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/local.f90:66:17: 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.f90:66:24: 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.f90:77:29: 77 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘liwork’ declared at (1) [-Wunused-variable] ../src/local.f90:77:16: 77 | integer LWORK,IWORK,LIWORK,INFO | 1 Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/local.f90:68:43: 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.f90:45:36: 45 | real(wp),allocatable :: oc(:,:,:) | 1 Warning: Unused variable ‘oc’ declared at (1) [-Wunused-variable] ../src/local.f90:72:26: 72 | real(wp) :: praxis(3,3),aa,bb,cc | 1 Warning: Unused variable ‘praxis’ declared at (1) [-Wunused-variable] ../src/local.f90:48:36: 48 | real(wp),allocatable :: qua (:,:) | 1 Warning: Unused variable ‘qua’ declared at (1) [-Wunused-variable] ../src/local.f90:71:53: 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.f90:71:56: 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.f90:57:32: 57 | real(wp),allocatable :: rr(:) | 1 Warning: Unused variable ‘rr’ declared at (1) [-Wunused-variable] ../src/local.f90:70:72: 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.f90:59:38: 59 | real(wp),allocatable :: xyztmp(:,:) | 1 Warning: Unused variable ‘xyztmp’ declared at (1) [-Wunused-variable] [252/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_extern_mopac.f90.o -c ../src/extern/mopac.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/mopac.f90:361:36: 361 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:361:25: 361 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:270:42: 270 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:297:19: 297 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:301:19: 301 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:298:25: 298 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:270:63: 270 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/mopac.f90:202:27: 202 | real(wp) :: dum(10),edum | 1 Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/extern/mopac.f90:65:15: 65 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [253/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_extern_orca.f90.o -c ../src/extern/orca.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/orca.f90:610:31: 610 | pure function to_hex(val, width) result(string) | 1 Warning: Unused dummy argument ‘width’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:574:36: 574 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:505:40: 505 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘chk0’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:524:17: 524 | integer :: i,j,err | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:527:39: 527 | character(len=:),allocatable :: line | 1 Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:505:46: 505 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘list’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:505:52: 505 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘step’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:413:42: 413 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:440:19: 440 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:444:19: 444 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:441:25: 441 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:413:63: 413 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/orca.f90:338:17: 338 | integer :: i,j,err | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:342:39: 342 | character(len=:),allocatable :: line | 1 Warning: Unused variable ‘line’ declared at (1) [-Wunused-variable] ../src/extern/orca.f90:74:28: 74 | character(len=5) :: chdum | 1 Warning: Unused variable ‘chdum’ declared at (1) [-Wunused-variable] [254/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_gfnff_setup.f90.o -c ../src/gfnff/gfnff_setup.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/gfnff_setup.f90:49:26: 49 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] [255/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_tblite_calculator.F90.o -c ../src/tblite/calculator.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/tblite/calculator.F90:311:36: 311 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:311:25: 311 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:311:31: 311 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘unit’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:245:42: 245 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:246:14: 246 | & 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.F90:246:24: 246 | & 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.F90:246:38: 246 | & 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.F90:245:37: 245 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:245:54: 245 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘printlevel’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:245:63: 245 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:245:27: 245 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:246:31: 246 | & 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.F90:203:47: 203 | subroutine newTBLiteWavefunction(env, mol, calc, chk) | 1 Warning: Unused dummy argument ‘calc’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:203:52: 203 | subroutine newTBLiteWavefunction(env, mol, calc, chk) | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:203:41: 203 | subroutine newTBLiteWavefunction(env, mol, calc, chk) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:108:52: 108 | subroutine newTBLiteCalculator(env, mol, calc, input) | 1 Warning: Unused dummy argument ‘input’ at (1) [-Wunused-dummy-argument] ../src/tblite/calculator.F90:108:39: 108 | subroutine newTBLiteCalculator(env, mol, calc, input) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] [256/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_extern_turbomole.f90.o -c ../src/extern/turbomole.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/turbomole.f90:562:40: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘chk0’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:562:46: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘list’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:562:23: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:562:52: 562 | subroutine hessian(self, env, mol0, chk0, list, step, hess, dipgrad) | 1 Warning: Unused dummy argument ‘step’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:547:36: 547 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/turbomole.f90:547:25: 547 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ 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.f90:212:26: 212 | character(len=255) atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:180:88: 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.f90:180:46: 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.f90:180:52: 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.f90:112:19: 112 | integer :: i,ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:116:19: 116 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:113:25: 113 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/turbomole.f90:85:63: 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.f90:467:26: note: ‘nl’ was declared here 467 | integer n, iunit, i, nl, j, nn | ^ [257/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_iff_iff_energy.f90.o -c ../src/iff/iff_energy.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/iff_energy.f90:909:63: 909 | 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.f90:909:56: 909 | 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.f90:853:35: 853 | 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.f90:853:39: 853 | 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.f90:839:68: 839 | 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.f90:851:21: 851 | integer :: i, j, iat | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:839:63: 839 | 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.f90:853:23: 853 | 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.f90:853:47: 853 | 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.f90:854:35: 854 | real(wp) :: R06, R08, dc6, t6, t8 | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:854:39: 854 | real(wp) :: R06, R08, dc6, t6, t8 | 1 Warning: Unused variable ‘t8’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:853:58: 853 | 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.f90:694:26: 694 | integer :: i, j, ati, atj | 1 Warning: Unused variable ‘ati’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:694:31: 694 | integer :: i, j, ati, atj | 1 Warning: Unused variable ‘atj’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:691:48: 691 | 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.f90:691:55: 691 | 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.f90:691:65: 691 | 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.f90:691:59: 691 | 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.f90:693:56: 693 | 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.f90:693:65: 693 | 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.f90:692:63: 692 | 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.f90:649:25: 649 | real(wp) :: apb, fn, s, e1, e2, c1, c2 | 1 Warning: Unused variable ‘fn’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:573:21: 573 | 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.f90:573:25: 573 | 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.f90:573:67: 573 | 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.f90:574:21: 574 | real(wp) :: vv1, vv2, v1, v2, abcd, eabcd | 1 Warning: Unused variable ‘vv1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:574:26: 574 | real(wp) :: vv1, vv2, v1, v2, abcd, eabcd | 1 Warning: Unused variable ‘vv2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:390:59: 390 | &xyz2, q2, xyzdr2, qdr2, at1, at2, alpab, r0, kode,& | 1 Warning: Unused dummy argument ‘alpab’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:411:22: 411 | real(wp) :: edr1, edr2, edr3 | 1 Warning: Unused variable ‘edr1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:411:28: 411 | real(wp) :: edr1, edr2, edr3 | 1 Warning: Unused variable ‘edr2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:411:34: 411 | real(wp) :: edr1, edr2, edr3 | 1 Warning: Unused variable ‘edr3’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:408:21: 408 | integer :: i, j, k, i1, i2, ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:408:24: 408 | integer :: i, j, k, i1, i2, ij | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:389:31: 389 | 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.f90:389:36: 389 | 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.f90:409:38: 409 | real(wp) :: rab, rabd, r2, onedr, dum, dum2, oner | 1 Warning: Unused variable ‘onedr’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:390:63: 390 | &xyz2, q2, xyzdr2, qdr2, at1, at2, alpab, r0, kode,& | 1 Warning: Unused dummy argument ‘r0’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:347:21: 347 | logical :: echo | 1 Warning: Unused variable ‘echo’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:349:36: 349 | integer :: i, k, ii, j, jj, i0 | 1 Warning: Unused variable ‘i0’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:349:28: 349 | integer :: i, k, ii, j, jj, i0 | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:349:32: 349 | integer :: i, k, ii, j, jj, i0 | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:349:21: 349 | integer :: i, k, ii, j, jj, i0 | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:348:19: 348 | logical :: lp | 1 Warning: Unused variable ‘lp’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:82:20: 82 | 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.f90:35:44: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1 Warning: Unused dummy argument ‘alp1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:35:50: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1 Warning: Unused dummy argument ‘alp2’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:75:26: 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.f90:82:35: 82 | 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.f90:82:24: 82 | 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.f90:78:27: 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.f90:75:29: 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.f90:82:28: 82 | 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.f90:78:42: 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.f90:35:33: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1 Warning: Unused dummy argument ‘cn1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:35:38: 35 | & cn1, cn2, alp1, alp2, alpab, qct1, qct2,& | 1 Warning: Unused dummy argument ‘cn2’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_energy.f90:75:68: 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.f90:75:74: 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.f90:75:51: 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.f90:75:46: 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.f90:82:79: 82 | 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.f90:82:51: 82 | 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.f90:73:62: 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.f90:82:45: 82 | 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.f90:89:32: 89 | integer :: i, j, k, kk, i1, j2, iat, jat, n3, metal(86) | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:91:33: 91 | logical :: linear, ATM, ijh, ijx | 1 Warning: Unused variable ‘ijh’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:91:38: 91 | logical :: linear, ATM, ijh, ijx | 1 Warning: Unused variable ‘ijx’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:89:36: 89 | integer :: i, j, k, kk, i1, j2, iat, jat, n3, metal(86) | 1 Warning: Unused variable ‘j2’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:91:23: 91 | logical :: linear, ATM, ijh, ijx | 1 Warning: Unused variable ‘linear’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:89:50: 89 | integer :: i, j, k, kk, i1, j2, iat, jat, n3, metal(86) | 1 Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:80:70: 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.f90:92:32: 92 | character(len=4) :: pgroup | 1 Warning: Unused variable ‘pgroup’ declared at (1) [-Wunused-variable] ../src/iff/iff_energy.f90:76:48: 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.f90:76:53: 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.f90:75:20: 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.f90:76:21: 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.f90:75:23: 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.f90:77:68: 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.f90:77:74: 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.f90:82:68: 82 | 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.f90:75:58: 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.f90:76:39: 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.f90:76:43: 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.f90:77:56: 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.f90:76:59: 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.f90:82:58: 82 | 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.f90:82:39: 82 | 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.f90:82:62: 82 | 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] [258/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_calculator.f90.o -c ../src/gfnff/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/gfnff/calculator.f90:327:36: 327 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:299:52: 299 | subroutine print_gfnff_results(iunit,res_gff,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:185:19: 185 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:183:25: 183 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/gfnff/calculator.f90:142:63: 142 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/gfnff/calculator.f90:93:26: 93 | logical :: exist, okbas | 1 Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] [259/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_extern_driver.f90.o -c ../src/extern/driver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/extern/driver.f90:185:38: 185 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:185:27: 185 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:69:44: 69 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:96:21: 96 | integer :: i, ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/extern/driver.f90:97:26: 97 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] ../src/extern/driver.f90:69:65: 69 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90:57:42: 57 | subroutine newDriverCalculator(self, env, ext) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/extern/driver.f90: In function ‘__xtb_extern_driver_MOD_singlepoint’: ../src/extern/driver.f90:123:13: warning: ‘cache’ may be used uninitialized [-Wmaybe-uninitialized] 123 | if (.not. cache) then | ^ ../src/extern/driver.f90:100:20: note: ‘cache’ was declared here 100 | logical :: cache, exist | ^ [260/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_stm.f.o -c ../src/stm.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/stm.f:226:46: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘arg’ declared at (1) [-Wunused-variable] ../src/stm.f:226:38: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘est’ declared at (1) [-Wunused-variable] ../src/stm.f:226:42: 226 | real(wp) xyza(3),xyzb(3),rab,est,gam,arg | 1 Warning: Unused variable ‘gam’ declared at (1) [-Wunused-variable] ../src/stm.f:207:42: 207 | subroutine densints(n,nbf,xyz,intcut,point,pthr,P, | 1 Warning: Unused dummy argument ‘intcut’ at (1) [-Wunused-dummy-argument] ../src/stm.f:224:21: 224 | integer i,j,k,l,iprimcount,jprimcount,ppp | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/stm.f:225:45: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘li’ declared at (1) [-Wunused-variable] ../src/stm.f:225:48: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘lj’ declared at (1) [-Wunused-variable] ../src/stm.f:225:40: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/stm.f:225:42: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/stm.f:225:51: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘mm’ declared at (1) [-Wunused-variable] ../src/stm.f:225:54: 225 | integer npri,nprj,ii,iii,jj,jjj,ll,m,li,lj,mm,nn | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/stm.f:227:26: 227 | real(wp) tt1,ttt,thr,cce,pthr2 | 1 Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] ../src/stm.f:25:36: 25 | subroutine stmpic(n,nmo,nbf,at,xyz,C,efermi,emo,basis) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/stm.f:40:61: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘av’ declared at (1) [-Wunused-variable] ../src/stm.f:46:28: 46 | integer i,j,k,l,m,done,mprim,npp,ind1,ind2,np,m1,m2,m3 | 1 Warning: Unused variable ‘done’ declared at (1) [-Wunused-variable] ../src/stm.f:40:26: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘rx’ declared at (1) [-Wunused-variable] ../src/stm.f:40:29: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘ry’ declared at (1) [-Wunused-variable] ../src/stm.f:40:32: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘rz’ declared at (1) [-Wunused-variable] ../src/stm.f:40:44: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/stm.f:40:47: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/stm.f:40:50: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/stm.f:40:53: 40 | real(wp) point(3),rx,ry,rz,r,intcut,t0,t1,w0,w1,pthr,av,scal,alp | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] [261/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_surfac.f.o -c ../src/surfac.f f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/surfac.f:30:51: 30 | real(wp) :: point(3),rx,ry,rz,r,r2,rsas | 1 Warning: Unused variable ‘point’ declared at (1) [-Wunused-variable] ../src/surfac.f:30:62: 30 | real(wp) :: point(3),rx,ry,rz,r,r2,rsas | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] [262/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_constrain_param.f90.o -c ../src/constrain_param.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/constrain_param.f90:1494:19: 1494 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1492:18: 1492 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1493:19: 1493 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1495:19: 1495 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1448:40: 1448 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1460:19: 1460 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1463:16: 1463 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1448:46: 1448 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1463:18: 1463 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1461:19: 1461 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1462:24: 1462 | integer :: list(nat),nlist | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1462:30: 1462 | integer :: list(nat),nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1448:50: 1448 | subroutine set_freeze(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1351:20: 1351 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1333:51: 1333 | subroutine set_metadyn(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1286:38: 1286 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1302:19: 1302 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1306:16: 1306 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1286:44: 1286 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1306:18: 1306 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1303:19: 1303 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1304:20: 1304 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1286:48: 1286 | subroutine set_path(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1239:41: 1239 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1255:19: 1255 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1259:16: 1259 | integer :: i,j | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1239:47: 1239 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1259:18: 1259 | integer :: i,j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1256:19: 1256 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1257:20: 1257 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1239:51: 1239 | subroutine set_reactor(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1168:19: 1168 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1170:34: 1170 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1154:48: 1154 | subroutine set_hess(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1076:39: 1076 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1089:19: 1089 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1076:45: 1076 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:1090:19: 1090 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:1076:49: 1076 | subroutine set_split(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:952:29: 952 | real(wp) :: ddum,darray(3) | 1 Warning: Unused variable ‘darray’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:938:44: 938 | subroutine set_wall(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘idmap’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:953:19: 953 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:849:19: 849 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:404:20: 404 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:289:19: 289 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:284:16: 284 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:287:20: 287 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:268:47: 268 | subroutine set_fix(env,key,val,nat,at,idMap,xyz) | 1 Warning: Unused dummy argument ‘xyz’ at (1) [-Wunused-dummy-argument] ../src/constrain_param.f90:121:19: 121 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:116:15: 116 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:118:16: 118 | integer :: ic | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:119:16: 119 | integer :: ie | 1 Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:112:38: 112 | character(len=:),allocatable :: key | 1 Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:114:42: 114 | character(len=:),allocatable :: newname | 1 Warning: Unused variable ‘newname’ declared at (1) [-Wunused-variable] ../src/constrain_param.f90:113:38: 113 | character(len=:),allocatable :: val | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] [263/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_thermo.f90.o -c ../src/thermo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/thermo.f90:254:72: 254 | subroutine oldthermo(a,b,c,avmom,linear,atom,sym,molmass,vibs,nvibs,escf, & | 1 Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument] ../src/thermo.f90:304:43: 304 | real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot | 1 Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:26: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/thermo.f90:80:36: 80 | & vibs,nvibs,escf,T,sthr_rcm,et,ht,g,ts,zp,pr) | 1 Warning: Unused dummy argument ‘escf’ at (1) [-Wunused-dummy-argument] ../src/thermo.f90:116:43: 116 | real(wp) :: q_tr,q_rot,q_vib,q_int,q_tot | 1 Warning: Unused variable ‘q_tot’ declared at (1) [-Wunused-variable] ../src/thermo.f90:120:24: 120 | real(wp) :: wofrot,RT | 1 Warning: Unused variable ‘rt’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:37: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘xmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:119:32: 119 | real(wp) :: ewj,omega,e,xxmom,xmom,mu | 1 Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/thermo.f90:35:37: 35 | integer,allocatable :: ictdum(:,:) | 1 Warning: Unused variable ‘ictdum’ declared at (1) [-Wunused-variable] [264/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_timing.f90.o -c ../src/timing.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [265/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_vertical.f90.o -c ../src/vertical.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [266/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_wrbas.f90.o -c ../src/wrbas.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrbas.f90:18:56: 18 | subroutine write_tm_basis(iunit,xtbData,nat,at,basis,wfn) | 1 Warning: Unused dummy argument ‘wfn’ at (1) [-Wunused-dummy-argument] [267/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_topology.f90.o -c ../src/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/topology.f90:137:17: 137 | integer :: iat, neigh | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] [268/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_wrgbw.f90.o -c ../src/wrgbw.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrgbw.f90:82:55: 82 | integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount | 1 Warning: Unused variable ‘icount’ declared at (1) [-Wunused-variable] [269/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_peeq_module.f90.o -c ../src/peeq_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/peeq_module.f90:1516:27: 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.f90:1520:61: 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.f90:1520:35: 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.f90:1519:16: 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.f90:1517:14: 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.f90:1517:17: 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.f90:1521:53: 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.f90:1522:72: 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.f90:1522:28: 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.f90:1521:38: 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.f90:1521:41: 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.f90:1521:35: 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.f90:1521:44: 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.f90:1521:57: 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.f90:1521:29: 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.f90:1521:47: 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.f90:1521:50: 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.f90:1521:32: 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.f90:1475:21: 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.f90:1518:47: 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.f90:1519:57: 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.f90:1520:48: 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.f90:1519:21: 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.f90:1515:18: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:21: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1519:37: 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.f90:1519:44: 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.f90:1518:25: 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.f90:1518:34: 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.f90:1518:43: 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.f90:1519:30: 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.f90:1514:57: 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.f90:1514:53: 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.f90:1514:48: 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.f90:1515:15: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1520:22: 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.f90:1514:31: 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.f90:1514:37: 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.f90:1514:43: 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.f90:1515:27: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:30: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:33: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1515:36: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1516:16: 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.f90:1514:16: 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.f90:1514:21: 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.f90:1514:26: 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.f90:1515:24: 1515 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1535:17: 1535 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1535:20: 1535 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1535:23: 1535 | integer :: tx,ty,tz | 1 Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1282:27: 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.f90:1286:61: 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.f90:1286:35: 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.f90:1285:16: 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.f90:1283:14: 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.f90:1283:17: 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.f90:1287:53: 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.f90:1288:72: 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.f90:1287:38: 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.f90:1287:41: 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.f90:1287:35: 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.f90:1287:44: 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.f90:1287:57: 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.f90:1287:29: 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.f90:1287:47: 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.f90:1287:50: 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.f90:1287:32: 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.f90:1240:21: 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.f90:1284:47: 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.f90:1285:57: 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.f90:1286:48: 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.f90:1285:21: 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.f90:1281:18: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:21: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1285:37: 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.f90:1285:44: 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.f90:1284:25: 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.f90:1284:34: 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.f90:1284:43: 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.f90:1285:30: 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.f90:1280:57: 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.f90:1280:53: 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.f90:1280:48: 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.f90:1281:15: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘skj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1286:22: 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.f90:1280:31: 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.f90:1280:37: 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.f90:1280:43: 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.f90:1281:27: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:30: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:33: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1281:36: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘t4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1282:16: 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.f90:1280:16: 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.f90:1280:21: 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.f90:1280:26: 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.f90:1281:24: 1281 | real(wp) skj,r1,r2,tt,t1,t2,t3,t4 | 1 Warning: Unused variable ‘tt’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:47: 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.f90:1086:45: 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.f90:1086:19: 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.f90:1075:14: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:17: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:20: 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.f90:1084:27: 1084 | real(wp) ri(3),rj(3),f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1084:30: 1084 | real(wp) ri(3),rj(3),f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1092:14: 1092 | integer kat | 1 Warning: Unused variable ‘kat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1073:38: 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.f90:1073:41: 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.f90:1073:35: 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.f90:1073:44: 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.f90:1073:29: 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.f90:1073:47: 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.f90:1073:50: 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.f90:1073:32: 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.f90:1043:71: 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.f90:1086:55: 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.f90:1086:27: 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.f90:1076:18: 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.f90:1076:21: 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.f90:1075:34: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:30: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1075:25: 1075 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:15: 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.f90:1087:22: 1087 | real(wp) sstmp(6,6) !TESTST | 1 Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:36: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:42: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:27: 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.f90:1076:30: 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.f90:1076:33: 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.f90:1076:36: 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.f90:1074:16: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:21: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:26: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1074:31: 1074 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:1076:24: 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.f90:884:47: 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.f90:894:45: 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.f90:894:19: 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.f90:883:14: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:17: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘dy’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:20: 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.f90:892:32: 892 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1 Warning: Unused variable ‘f1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:892:35: 892 | real(wp) ri(3),rj(3),t(3),f1,f2 | 1 Warning: Unused variable ‘f2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:881:38: 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.f90:881:41: 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.f90:881:35: 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.f90:881:44: 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.f90:881:29: 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.f90:881:47: 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.f90:881:50: 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.f90:881:32: 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.f90:849:71: 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.f90:894:55: 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.f90:894:27: 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.f90:884:18: 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.f90:884:21: 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.f90:883:34: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:30: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00l’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:883:25: 883 | real(wp) dx,dy,dz,s00r,s00l,s00,alpj | 1 Warning: Unused variable ‘s00r’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:884:15: 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.f90:895:22: 895 | real(wp) sstmp(6,6) !TESTST | 1 Warning: Unused variable ‘sstmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:36: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:42: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘step2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:884:27: 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.f90:884:30: 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.f90:884:33: 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.f90:884:36: 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.f90:882:16: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp1’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:21: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:26: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp3’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:882:31: 882 | real(wp) tmp1,tmp2,tmp3,tmp4,step,step2 | 1 Warning: Unused variable ‘tmp4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:884:24: 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.f90:740:17: 740 | real(wp) :: r2,r,dr,rab | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:733:24: 733 | integer :: i,j,k,wsAt | 1 Warning: Unused variable ‘wsat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:664:26: 664 | real(wp) :: ri(3),dr(3) | 1 Warning: Unused variable ‘dr’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:663:17: 663 | integer :: iat,jat,ati,atj | 1 Warning: Unused variable ‘iat’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:663:21: 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.f90:662:23: 662 | integer :: i,j,k,lin | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:664:20: 664 | real(wp) :: ri(3),dr(3) | 1 Warning: Unused variable ‘ri’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:674:27: 674 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘tx’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:674:30: 674 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘ty’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:674:33: 674 | integer :: latrep(3),tx,ty,tz,itr | 1 Warning: Unused variable ‘tz’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:130:43: 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.f90:198:51: 198 | real(wp),allocatable,dimension(:) :: aux | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:165:19: 165 | real(wp) :: den2 | 1 Warning: Unused variable ‘den2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:166:19: 166 | real(wp) :: den4 | 1 Warning: Unused variable ‘den4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:160:51: 160 | real(wp) , allocatable, dimension(:,:,:) :: dlcn | 1 Warning: Unused variable ‘dlcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:138:18: 138 | real(wp) :: dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:195:52: 195 | real(wp),allocatable,dimension(:) :: ev_s | 1 Warning: Unused variable ‘ev_s’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:140:16: 140 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:158:52: 158 | real(wp) , allocatable, dimension(:,:,:) :: grab0 | 1 Warning: Unused variable ‘grab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:48:57: 48 | (env,mol,wfn,basis,xtbData,gbsa,egap,et,prlevel,grd,ccm,acc,etot,gradient,sigma,res) | 1 Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument] ../src/peeq_module.f90:161:51: 161 | real(wp), dimension(2) :: hbpi | 1 Warning: Unused variable ‘hbpi’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:162:51: 162 | real(wp), dimension(2) :: hbpj | 1 Warning: Unused variable ‘hbpj’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:171:18: 171 | integer :: ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:131:16: 131 | integer :: il,jl | 1 Warning: Unused variable ‘il’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:196:52: 196 | integer :: info | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:130:19: 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.f90:131:19: 131 | integer :: il,jl | 1 Warning: Unused variable ‘jl’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:167:19: 167 | real(wp) :: ken2 | 1 Warning: Unused variable ‘ken2’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:168:19: 168 | real(wp) :: ken4 | 1 Warning: Unused variable ‘ken4’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:130:46: 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.f90:159:50: 159 | real(wp) , allocatable, dimension(:) :: lcn | 1 Warning: Unused variable ‘lcn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:197:53: 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.f90:170:17: 170 | integer :: nh | 1 Warning: Unused variable ‘nh’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:169:18: 169 | integer :: nhb | 1 Warning: Unused variable ‘nhb’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:157:51: 157 | real(wp) , allocatable, dimension(:) :: rab0 | 1 Warning: Unused variable ‘rab0’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:121:23: 121 | integer :: rep_cn(3) | 1 Warning: Unused variable ‘rep_cn’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:194:52: 194 | real(wp),allocatable,dimension(:,:) :: Stmp | 1 Warning: Unused variable ‘stmp’ declared at (1) [-Wunused-variable] ../src/peeq_module.f90:199:22: 199 | real(wp) :: test(1) | 1 Warning: Unused variable ‘test’ declared at (1) [-Wunused-variable] [270/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_wrmo.f90.o -c ../src/wrmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrmo.f90:18:34: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/wrmo.f90:18:40: 18 | subroutine write_tm_mos(iunit,n,at,basis,wfn) | 1 Warning: Unused dummy argument ‘basis’ at (1) [-Wunused-dummy-argument] [271/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_set_module.f90.o -c ../src/set_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/set_module.f90:2564:19: 2564 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2562:18: 2562 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2563:19: 2563 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2565:19: 2565 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2545:24: 2545 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2545:28: 2545 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘key’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2545:32: 2545 | subroutine set_split(env,key,val) | 1 Warning: Unused dummy argument ‘val’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2534:24: 2534 | subroutine set_natom(env,arg) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/set_module.f90:2539:18: 2539 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2470:18: 2470 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2473:19: 2473 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2446:19: 2446 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2444:18: 2444 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2445:19: 2445 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2447:19: 2447 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2384:18: 2384 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2396:23: 2396 | logical,save :: set8 = .true. | 1 Warning: Unused variable ‘set8’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2336:62: 2336 | character(len=p_str_length),dimension(p_arg_length) :: argv | 1 Warning: Unused variable ‘argv’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2329:18: 2329 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2334:16: 2334 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2335:19: 2335 | integer :: narg | 1 Warning: Unused variable ‘narg’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2288:18: 2288 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2289:19: 2289 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2266:18: 2266 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2267:19: 2267 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2269:19: 2269 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2217:19: 2217 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2215:18: 2215 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2216:19: 2216 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2218:19: 2218 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2188:18: 2188 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2191:19: 2191 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2152:18: 2152 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2153:19: 2153 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2155:19: 2155 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2119:18: 2119 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2120:19: 2120 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2122:19: 2122 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2125:23: 2125 | logical,save :: set3 = .true. | 1 Warning: Unused variable ‘set3’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2075:18: 2075 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2078:19: 2078 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:2002:18: 2002 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1968:18: 1968 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1971:19: 1971 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1940:18: 1940 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1941:19: 1941 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1943:19: 1943 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1887:18: 1887 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1784:18: 1784 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1729:18: 1729 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1732:19: 1732 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1547:18: 1547 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1499:18: 1499 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1502:19: 1502 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1406:18: 1406 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1337:19: 1337 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1335:18: 1335 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1194:19: 1194 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1192:18: 1192 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1193:19: 1193 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1171:18: 1171 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1151:18: 1151 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:1106:18: 1106 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/set_module.f90:736:19: 736 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:729:15: 729 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:731:16: 731 | integer :: ic | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/set_module.f90:732:16: 732 | integer :: ie | 1 Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/set_module.f90:726:38: 726 | character(len=:),allocatable :: key | 1 Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/set_module.f90:727:38: 727 | character(len=:),allocatable :: val | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/set_module.f90:689:19: 689 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/set_module.f90:571:15: 571 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:461:15: 461 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/set_module.f90:436:15: 436 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] [272/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_scf_module.F90.o -c ../src/scf_module.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/scf_module.F90:65:36: 65 | integer, parameter :: metal(1:86) = [& | 1 Warning: Unused PRIVATE module variable ‘metal’ declared at (1) [-Wunused-value] ../src/scf_module.F90:185:37: 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.F90:205:29: 205 | character(len=128) :: atmp,ftmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:167:34: 167 | real(wp),allocatable :: aw(:,:) | 1 Warning: Unused variable ‘aw’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:168:36: 168 | real(wp),allocatable :: c6ab(:,:) | 1 Warning: Unused variable ‘c6ab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:122:24: 122 | type(TCosmo) :: cosmo | 1 Warning: Unused variable ‘cosmo’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:48: 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.F90:188:37: 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.F90:185:43: 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.F90:185:46: 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.F90:185:49: 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.F90:186:18: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘efa’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:22: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘efb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:48: 183 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1 Warning: Unused variable ‘efix’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:23: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘eh1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:48: 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.F90:184:32: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘eold’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:192:20: 192 | real(wp) :: esave,eel | 1 Warning: Unused variable ‘esave’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:206:16: 206 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:191:43: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘exc’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:53: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘ff’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:205:34: 205 | character(len=128) :: atmp,ftmp | 1 Warning: Unused variable ‘ftmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:206:34: 206 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘fulldiag’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:23: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘gi’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:26: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘gj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:75:48: 75 | & egap, et, maxiter, prlevel, restart, grd, acc, energy, gradient, res) | 1 Warning: Unused dummy argument ‘grd’ at (1) [-Wunused-dummy-argument] ../src/scf_module.F90:191:39: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘gtmp’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:52: 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.F90:188:19: 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.F90:185:31: 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.F90:186:39: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘hdii’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:44: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘hdjj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:183:43: 183 | real(wp) :: dipol(3),dip,gsolv,eat,hlgap,efix | 1 Warning: Unused variable ‘hlgap’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:57: 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.F90:202:19: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:202:22: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:33: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:206:50: 206 | logical :: ex,minpr,pr,fulldiag,lastdiag,iniqsh,fail | 1 Warning: Unused variable ‘iniqsh’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:48: 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.F90:203:19: 203 | integer :: is,js,gav | 1 Warning: Unused variable ‘js’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:27: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘jshell’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:56: 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.F90:193:39: 193 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘kexpe’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:26: 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.F90:200:58: 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.F90:202:16: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘ll’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:45: 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.F90:200:61: 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.F90:200:64: 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.F90:166:20: 166 | real(wp) :: molc6,molc8,molpol | 1 Warning: Unused variable ‘molc6’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:166:26: 166 | real(wp) :: molc6,molc8,molpol | 1 Warning: Unused variable ‘molc8’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:39: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘ndimv’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:28: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘nfoda’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:186:34: 186 | real(wp) :: efa,efb,nfoda,nfodb,hdii,hdjj,qconv,ff | 1 Warning: Unused variable ‘nfodb’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:202:25: 202 | integer :: ll,i1,i2,nn,ati,nxb,lin,startpdiag | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:201:30: 201 | integer :: ishell,jshell,np,ia,ndimv,l,nmat,nmat2 | 1 Warning: Unused variable ‘np’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:200:17: 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.F90:185:58: 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.F90:185:62: 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.F90:184:42: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘r2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:27: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘rab’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:62: 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.F90:188:59: 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.F90:189:42: 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.F90:185:27: 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.F90:169:34: 169 | real(wp),allocatable :: rvol(:) | 1 Warning: Unused variable ‘rvol’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:128:35: 128 | real(wp),allocatable :: S12(:,:) | 1 Warning: Unused variable ‘s12’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:185:17: 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.F90:185:20: 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.F90:193:22: 193 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘t6’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:193:25: 193 | real(wp) :: eaes,t6,t7,pi,epol,kexpe | 1 Warning: Unused variable ‘t7’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:188:63: 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.F90:188:55: 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.F90:189:61: 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.F90:191:17: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:191:20: 191 | real(wp) :: w0,w1,damp,damp0,gtmp(3),exc | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:17: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:187:17: 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.F90:187:20: 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.F90:189:21: 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.F90:189:24: 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.F90:140:36: 140 | real(wp),allocatable :: Xcao(:,:) | 1 Warning: Unused variable ‘xcao’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:190:20: 190 | real(wp) :: w2,xj,gi,gj,eatoms,neglect2 | 1 Warning: Unused variable ‘xj’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:19: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:184:39: 184 | real(wp) :: xsum,eh1,rab,eold,dum,xx,r2 | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/scf_module.F90:189:27: 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.F90:189:30: 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.F90:188:51: 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.F90:189:33: 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.F90:189:36: 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.F90:934:0: 934 | pure elemental function early3d(i) result(bool) | Warning: ‘early3d’ defined but not used [-Wunused-function] [273/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_wrmodef.f90.o -c ../src/wrmodef.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/wrmodef.f90:37:37: 37 | integer i,k,j,ik,kl,l,root,lend,b1,b2,n3 | 1 Warning: Unused variable ‘b1’ declared at (1) [-Wunused-variable] ../src/wrmodef.f90:37:40: 37 | integer i,k,j,ik,kl,l,root,lend,b1,b2,n3 | 1 Warning: Unused variable ‘b2’ declared at (1) [-Wunused-variable] ../src/wrmodef.f90:30:21: 30 | real(wp) :: norm,w | 1 Warning: Unused variable ‘w’ declared at (1) [-Wunused-variable] ../src/wrmodef.f90:18:37: 18 | subroutine wrmodef(typ,n,at,xyzin,wbo,rmass,freq,u,udum,vthr,linear) | 1 Warning: Unused dummy argument ‘wbo’ at (1) [-Wunused-dummy-argument] [274/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xhelp.f90.o -c ../src/xhelp.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [275/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_docking_set_module.f90.o -c ../src/docking/set_module.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/docking/set_module.f90:306:22: 306 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:304:21: 304 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:305:22: 305 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:307:22: 307 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:240:22: 240 | real(wp) :: ddum | 1 Warning: Unused variable ‘ddum’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:235:19: 235 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:238:23: 238 | integer :: nlist | 1 Warning: Unused variable ‘nlist’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:223:55: 223 | 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.f90:211:18: 211 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:164:21: 164 | integer :: err | 1 Warning: Unused variable ‘err’ declared at (1) [-Wunused-variable] ../src/docking/set_module.f90:167:22: 167 | logical :: ldum | 1 Warning: Unused variable ‘ldum’ declared at (1) [-Wunused-variable] [276/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_iff_iff_lmo.f90.o -c ../src/iff/iff_lmo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/iff_lmo.f90:560:35: 560 | real(wp) :: ZERO, SINTH, COTH, ANORM, BNORM, COSTH | 1 Warning: Unused variable ‘coth’ declared at (1) [-Wunused-variable] ../src/iff/iff_lmo.f90:504:51: 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.f90:504:56: 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.f90:504:61: 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.f90:77:53: 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.f90:89:71: 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.f90:90:20: 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.f90:90:48: 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.f90:88:36: 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.f90:89:56: 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.f90:90:29: 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.f90:90:35: 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.f90:31:20: 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.f90:506:41: 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.f90:506:48: 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.f90:504:36: 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.f90:504:46: 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.f90:498:20, 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.f90:504:21: 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.f90:498:20, 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.f90:504:31: note: ‘xl2’ was declared here 504 | real(wp) :: XI2, XJ2, XL2, YI2, YJ2, YL2, ZI2, ZJ2, ZL2 | ^ [277/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_rdcoord2.f90.o -c ../src/rdcoord2.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/rdcoord2.f90:286:20: 286 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/rdcoord2.f90:281:40: 281 | character(len=:),allocatable :: wfile | 1 Warning: Unused variable ‘wfile’ declared at (1) [-Wunused-variable] ../src/rdcoord2.f90:41:18: 41 | integer :: j,k,ich,cs,cf,ncheck | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] [278/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_zmatpr.f90.o -c ../src/zmatpr.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/zmatpr.f90:29:17: 29 | logical :: ex | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] [279/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/symmetry_symmetry.f90.o -c ../symmetry/symmetry.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [280/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_iff_iff_ini.f90.o -c ../src/iff/iff_ini.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:551:41: 551 | real(wp) :: aw(23, nat), covcn(nat) | 1 Warning: Unused variable ‘covcn’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:85:35: 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.f90:85:24: 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.f90:88:82: 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.f90:87:47: 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.f90:87:62: 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.f90:85:28: 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.f90:86:50: 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.f90:81:39: 81 | integer, allocatable :: dum_at(:) | 1 Warning: Unused variable ‘dum_at’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:84:22: 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.f90:86:29: 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.f90:86:42: 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.f90:85:51: 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.f90:87:73: 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.f90:85:45: 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.f90:105:23: 105 | logical :: linear | 1 Warning: Unused variable ‘linear’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:83:31: 83 | integer :: i, j, k, nfreq, np | 1 Warning: Unused variable ‘nfreq’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:104:24: 104 | character*4 pgroup | 1 Warning: Unused variable ‘pgroup’ declared at (1) [-Wunused-variable] ../src/iff/iff_ini.f90:44:25: 44 | & pr) | 1 Warning: Unused dummy argument ‘pr’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_ini.f90:42:51: 42 | & den1, den2, gab1, gab2, qcm1, qcm2,& | 1 Warning: Unused dummy argument ‘qcm1’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_ini.f90:42:57: 42 | & den1, den2, gab1, gab2, qcm1, qcm2,& | 1 Warning: Unused dummy argument ‘qcm2’ at (1) [-Wunused-dummy-argument] ../src/iff/iff_ini.f90:85:68: 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.f90:85:58: 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.f90:85:39: 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.f90:85:62: 85 | real(wp) :: aa, bb, cc, avmom, wt, h298, g298, ts298, zp, symn | 1 Warning: Unused variable ‘zp’ declared at (1) [-Wunused-variable] [281/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_xtb_calculator.f90.o -c ../src/xtb/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/xtb/calculator.f90:390:47: 390 | subroutine print_gfn2_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:371:47: 371 | subroutine print_gfn1_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:354:53: 354 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘lsolv’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:354:47: 354 | subroutine print_gfn0_results(iunit,res,verbose,lsolv) | 1 Warning: Unused dummy argument ‘verbose’ at (1) [-Wunused-dummy-argument] ../src/xtb/calculator.f90:238:19: 238 | logical :: inmol | 1 Warning: Unused variable ‘inmol’ declared at (1) [-Wunused-variable] ../src/xtb/calculator.f90:236:25: 236 | integer :: mode_sp_run = 1 | 1 Warning: Unused variable ‘mode_sp_run’ declared at (1) [-Wunused-variable] [282/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_main_property.F90.o -c ../src/main/property.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/main/property.F90:1190:27: 1190 | real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom | 1 Warning: Unused variable ‘e’ declared at (1) [-Wunused-variable] ../src/main/property.F90:1190:25: 1190 | real(wp) :: beta,xxmom,e,ewj,mu,RT,sthr,avmom | 1 Warning: Unused variable ‘xxmom’ declared at (1) [-Wunused-variable] ../src/main/property.F90:994:25: 994 | logical linear,atom,da | 1 Warning: Unused variable ‘da’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:36: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘fswitch’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:42: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘lnq_r’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:48: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘lnq_v’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:28: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘maxfreq’ declared at (1) [-Wunused-variable] ../src/main/property.F90:982:26: 982 | integer nn,nvib,i,j,k,n,nvib_theo,isthr | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/main/property.F90:982:13: 982 | integer nn,nvib,i,j,k,n,nvib_theo,isthr | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/main/property.F90:980:20: 980 | real(wp) :: omega,maxfreq,fswitch,lnq_r,lnq_v | 1 Warning: Unused variable ‘omega’ declared at (1) [-Wunused-variable] ../src/main/property.F90:977:18: 977 | real(wp) xx(10),sthr,temp,scale_factor | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/main/property.F90:899:48: 899 | subroutine print_fod_population(iunit,ifile,n,at,sym,nao,S,C,etemp,emo,ihomoa, & | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:863:43: 863 | subroutine print_spin_population(iunit,n,at,sym,nao,focca,foccb,S,C,aoat2,lao2) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:820:34: 820 | subroutine print_dipole(iunit,n,at,xyz,z,nao,P,dpint) | 1 Warning: Unused dummy argument ‘at’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:677:18: 677 | integer :: i,j,k,nfrag | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.F90:677:20: 677 | integer :: i,j,k,nfrag | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.F90:678:19: 678 | real(wp) :: xsum | 1 Warning: Unused variable ‘xsum’ declared at (1) [-Wunused-variable] ../src/main/property.F90:427:28: 427 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/main/property.F90:427:19: 427 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] ../src/main/property.F90:427:24: 427 | real(wp) :: etot,h298,dum | 1 Warning: Unused variable ‘h298’ declared at (1) [-Wunused-variable] ../src/main/property.F90:421:41: 421 | character(len=:),allocatable :: hname | 1 Warning: Unused variable ‘hname’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:19: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:21: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:24: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:26: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/main/property.F90:420:28: 420 | integer :: i,ii,j,jj,k,l | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/main/property.F90:428:22: 428 | integer :: lowmode | 1 Warning: Unused variable ‘lowmode’ declared at (1) [-Wunused-variable] ../src/main/property.F90:294:18: 294 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/main/property.F90:293:18: 293 | real(wp) :: dip,dipol(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/main/property.F90:293:27: 293 | real(wp) :: dip,dipol(3) | 1 Warning: Unused variable ‘dipol’ declared at (1) [-Wunused-variable] ../src/main/property.F90:294:25: 294 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘intcut’ declared at (1) [-Wunused-variable] ../src/main/property.F90:292:19: 292 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndim’ declared at (1) [-Wunused-variable] ../src/main/property.F90:292:23: 292 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:294:33: 294 | real(wp) :: acc,intcut,neglect | 1 Warning: Unused variable ‘neglect’ declared at (1) [-Wunused-variable] ../src/main/property.F90:292:27: 292 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:254:33: 254 | (lverbose,mol,wfx,basis,res) | 1 Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] ../src/main/property.F90:120:23: 120 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘ndp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:120:27: 120 | integer :: ndim,ndp,nqp | 1 Warning: Unused variable ‘nqp’ declared at (1) [-Wunused-variable] ../src/main/property.F90:74:42: 74 | (iunit,env,mol,wfx,basis,xtbData,res,solvModel,acc) | 1 Warning: Unused dummy argument ‘res’ at (1) [-Wunused-dummy-argument] [283/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_api_environment.f90.o -c ../src/api/environment.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/environment.f90:191:43: 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) & | ^ [284/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_api_molecule.f90.o -c ../src/api/molecule.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/api/molecule.f90:124:28: 124 | real(wp) :: latvecs(3, 3) | 1 Warning: Unused variable ‘latvecs’ declared at (1) [-Wunused-variable] [285/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_optimizer.f90.o -c ../src/optimizer.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/optimizer.f90:527:20: 527 | parameter (r4dum=1.e-8) | 1 Warning: Change of value in conversion from ‘REAL(8)’ to ‘REAL(4)’ at (1) [-Wconversion] ../src/optimizer.f90:683:28: 683 | Aaug(1:npvar) = anc%hess | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:684:28: 684 | Aaug(npvar+1:npvar1-1) = gint | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:694:17: 694 | Uaug = Uaug/dsnrm | 1 Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) [-Wconversion] ../src/optimizer.f90:1018:16: 1018 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:799:19: 799 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:771:19: 771 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:519:33: 519 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘dnorm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:520:33: 520 | real(wp) :: depred,echng,dummy,maxd,alp,gchng,smallreal,gnold | 1 Warning: Unused variable ‘dummy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:473:31: 473 | & 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.f90:517:16: 517 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:517:52: 517 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:517:43: 517 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:517:27: 517 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:517:30: 517 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:519:21: 519 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘lambda’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:517:37: 517 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘lwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:517:46: 517 | integer :: i, j, ii, jj, k, lwork, info, m, idum, imax(3) | 1 Warning: Unused variable ‘m’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:473:39: 473 | & 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.f90:518:49: 518 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:518:55: 518 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:518:52: 518 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:518:58: 518 | real(wp) :: energy,ethr,gthr,dsnrm,maxdispl,t0,w0,t1,w1 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:519:48: 519 | real(wp) :: lambda,gnorm,dnorm,ddot,eold,xdum,estart,acc,e_in | 1 Warning: Unused variable ‘xdum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:174:26: 174 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘amu2au’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:174:32: 174 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘au2cm’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:185:33: 185 | real(wp),allocatable :: aux(:) | 1 Warning: Unused variable ‘aux’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:182:34: 182 | real(wp),allocatable :: b (:,:) | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:174:47: 174 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘damp’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:174:57: 174 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘edum’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:152:18: 152 | real(wp) :: eel | 1 Warning: Unused variable ‘eel’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:175:45: 175 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘energy’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:186:34: 186 | real(wp),allocatable :: hess(:) | 1 Warning: Unused variable ‘hess’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:38: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ia’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:32: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:44: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ii’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:52: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘info’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:177:53: 177 | integer :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii | 1 Warning: Unused variable ‘itry’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:187:35: 187 | integer, allocatable :: iwork(:) | 1 Warning: Unused variable ‘iwork’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:41: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘ja’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:35: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jc’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:47: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:29: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘jjj’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:25: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘l’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:176:17: 176 | integer :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info,lwork,nat3,liwork | 1 Warning: Unused variable ‘n3’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:177:30: 177 | integer :: nvar,iter,nread,maxcycle,maxmicro,itry,maxopt,iupdat,iii | 1 Warning: Unused variable ‘nread’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:171:27: 171 | type(scc_results) :: res | 1 Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:175:56: 175 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘rij’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:174:19: 174 | real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,hlow,edum,s6,thr,aaa,bbb | 1 Warning: Unused variable ‘step’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:175:62: 175 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:175:59: 175 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:188:36: 188 | integer, allocatable :: totsym(:) | 1 Warning: Unused variable ‘totsym’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:175:68: 175 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/optimizer.f90:175:65: 175 | real(wp) :: maxdispl,gthr,ethr,hmax,energy,acc,rij(3),t1,t0,w1,w0,ccc | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] [286/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_iff_calculator.f90.o -c ../src/iff/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/iff/calculator.f90:161:39: 161 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:161:28: 161 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:161:34: 161 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘unit’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:45: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘chk’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:40: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:57: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘printlevel’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:105:66: 105 | subroutine singlepoint(self, env, mol, chk, printlevel, restart, & | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/iff/calculator.f90:70:35: 70 | integer, allocatable :: at(:) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/iff/calculator.f90:74:43: 74 | character(len=:), allocatable :: fnam | 1 Warning: Unused variable ‘fnam’ declared at (1) [-Wunused-variable] ../src/iff/calculator.f90:73:24: 73 | real(wp) :: molA_e,molB_e | 1 Warning: Unused variable ‘mola_e’ declared at (1) [-Wunused-variable] ../src/iff/calculator.f90:73:31: 73 | real(wp) :: molA_e,molB_e | 1 Warning: Unused variable ‘molb_e’ declared at (1) [-Wunused-variable] [287/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_api_results.f90.o -c ../src/api/results.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [288/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_oniom.f90.o -c ../src/oniom.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/oniom.f90:1402:32: 1402 | integer, allocatable :: at(:) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1400:18: 1400 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1400:24: 1400 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1378:39: 1378 | function calculateCharge(self, env, mol, chk) result(chrg_model) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:1400:21: 1400 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘n’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1400:34: 1400 | integer :: i, j, n, k, pre_last | 1 Warning: Unused variable ‘pre_last’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1354:15: 1354 | integer :: b | 1 Warning: Unused variable ‘b’ declared at (1) [-Wunused-variable] ../src/oniom.f90:1328:33: 1328 | subroutine checkfororder(env, mol, idx1, idx2, bond, hybrid) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:1250:18: 1250 | integer :: i, j | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/oniom.f90:972:15: 972 | integer :: i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/oniom.f90:972:17: 972 | integer :: i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/oniom.f90:972:19: 972 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/oniom.f90:623:47: 623 | integer, allocatable :: brokenBondPairs(:,:) | 1 Warning: Unused variable ‘brokenbondpairs’ declared at (1) [-Wunused-variable] ../src/oniom.f90:572:36: 572 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘mol’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:572:25: 572 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘self’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:572:31: 572 | subroutine writeInfo(self, unit, mol) | 1 Warning: Unused dummy argument ‘unit’ at (1) [-Wunused-dummy-argument] ../src/oniom.f90:257:27: 257 | integer :: i, coord_unit | 1 Warning: Unused variable ‘coord_unit’ declared at (1) [-Wunused-variable] ../src/oniom.f90:123:15: 123 | integer :: i | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/oniom.f90:120:45: 120 | 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.f90:1422:12: warning: ‘chrg_model’ may be used uninitialized [-Wmaybe-uninitialized] 1422 | return | ^ ../src/oniom.f90:1378:64: note: ‘chrg_model’ was declared here 1378 | function calculateCharge(self, env, mol, chk) result(chrg_model) | ^ [289/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_main_setup.f90.o -c ../src/main/setup.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [290/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_main_defaults.f90.o -c ../src/main/defaults.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [291/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_api_calculator.f90.o -c ../src/api/calculator.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [292/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_iff_iff_prepare.f90.o -c ../src/iff/iff_prepare.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:109:27: 109 | integer :: gsolvstate !Should be gas | 1 Warning: Unused variable ‘gsolvstate’ declared at (1) [-Wunused-variable] ../src/iff/iff_prepare.f90:61:35: 61 | integer, allocatable :: at(:) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../src/iff/iff_prepare.f90:62:40: 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.f90:120:27: 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.f90:122:28: note: ‘newdisp_tmp’ was declared here 122 | logical :: newdisp_tmp | ^ [293/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_api_interface.f90.o -c ../src/api/interface.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [294/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_relaxation_engine.f90.o -c ../src/relaxation_engine.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:940:21: 940 | real(wp) :: depred | 1 Warning: Unused variable ‘depred’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:934:20: 934 | integer :: i,j,ij | 1 Warning: Unused variable ‘ij’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:934:17: 934 | integer :: i,j,ij | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:941:31: 941 | real(wp) :: max_displacement | 1 Warning: Unused variable ‘max_displacement’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:826:22: 826 | integer :: lastiter | 1 Warning: Unused variable ‘lastiter’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90:193:19: 193 | real(wp) :: time | 1 Warning: Unused variable ‘time’ declared at (1) [-Wunused-variable] ../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_inertial_relax’: ../src/relaxation_engine.f90:1320:70: warning: ‘lat_apar’ may be used uninitialized [-Wmaybe-uninitialized] 1320 | & - lat_apar * lat_gradient/lat_gnorm * lat_speed | ^ ../src/relaxation_engine.f90:1227:23: note: ‘lat_apar’ was declared here 1227 | real(wp) :: lat_apar | ^ ../src/relaxation_engine.f90:1320:70: warning: ‘lat_gnorm’ may be used uninitialized [-Wmaybe-uninitialized] 1320 | & - lat_apar * lat_gradient/lat_gnorm * lat_speed | ^ ../src/relaxation_engine.f90:1223:24: note: ‘lat_gnorm’ was declared here 1223 | real(wp) :: lat_gnorm | ^ ../src/relaxation_engine.f90:1330:50: warning: ‘lat_time_step’ may be used uninitialized [-Wmaybe-uninitialized] 1330 | lat_time_step = lat_time_step*opt%fdec | ^ ../src/relaxation_engine.f90:1226:28: note: ‘lat_time_step’ was declared here 1226 | real(wp) :: lat_time_step | ^ ../src/relaxation_engine.f90: In function ‘__xtb_relaxation_engine_MOD_l_ancopt’: ../src/relaxation_engine.f90:524:34: warning: ‘pr’ may be used uninitialized [-Wmaybe-uninitialized] 524 | if (avconv%nlog > 0 .and. pr) then | ^ ../src/relaxation_engine.f90:452:16: note: ‘pr’ declared here 452 | logical :: pr | ^ [295/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_geoopt_driver.f90.o -c ../src/geoopt_driver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [296/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_mdoptim.f90.o -c ../src/mdoptim.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:40:46: 40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/mdoptim.f90:59:13: 59 | logical ex, fail | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:48:20: 48 | integer :: icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:40:55: 40 | subroutine mdopt(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘maxiter’ at (1) [-Wunused-dummy-argument] ../src/mdoptim.f90:57:30: 57 | integer i,j,iz1,iz2,nall,ol | 1 Warning: Unused variable ‘ol’ declared at (1) [-Wunused-variable] ../src/mdoptim.f90:52:27: 52 | type(scc_results) :: res | 1 Warning: Unused variable ‘res’ declared at (1) [-Wunused-variable] [297/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_getkopt.f90.o -c ../src/getkopt.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/getkopt.f90:112:43: 112 | & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,& | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:132:53: 132 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/getkopt.f90:112:27: 112 | & calc,env,restart,mol,chk,egap,et,maxiter,maxcycle,optlev,& | 1 Warning: Unused dummy argument ‘restart’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:41:27: 41 | & etot,g,sigma,acc) | 1 Warning: Unused dummy argument ‘acc’ at (1) [-Wunused-dummy-argument] ../src/getkopt.f90:67:53: 67 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../src/getkopt.f90:62:53: 62 | integer :: idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] [298/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_gfnff_struc_converter.f90.o -c ../src/gfnff/struc_converter.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:26:38: 26 | & env,restart,mol,chk,egap,et,maxiter,maxcycle,& | 1 Warning: Unused dummy argument ‘et’ at (1) [-Wunused-dummy-argument] ../src/gfnff/struc_converter.f90:67:54: 67 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../src/gfnff/struc_converter.f90:59:52: 59 | integer :: ich | 1 Warning: Unused variable ‘ich’ declared at (1) [-Wunused-variable] [299/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_scan_driver.f90.o -c ../src/scan_driver.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/scan_driver.f90:55:20: 55 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] [300/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_screening.f90.o -c ../src/screening.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:279:35: 279 | integer :: i,j,k,l,m,ndum,nstep,dumpstep | 1 Warning: Unused variable ‘nstep’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:32: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘acc’ declared at (1) [-Wunused-variable] ../src/screening.f90:71:23: 71 | logical :: checkrmsd | 1 Warning: Unused variable ‘checkrmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:27: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1 Warning: Unused variable ‘dens’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:55: 70 | logical :: fail,equalrot2,ohbonded,include_enan,enan,ex | 1 Warning: Unused variable ‘enan’ declared at (1) [-Wunused-variable] ../src/screening.f90:65:22: 65 | real(wp) :: e,gnorm,dens,emin,ethr,ethr2,gg,ss | 1 Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:24: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘i1’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:27: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘i2’ declared at (1) [-Wunused-variable] ../src/screening.f90:49:16: 49 | integer icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:19: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:39: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘lin’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:53: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/screening.f90:67:43: 67 | integer :: i,j,k,m,i1,i2,iz1,iz2,lin,nst,ncnf,ndum,olev | 1 Warning: Unused variable ‘nst’ declared at (1) [-Wunused-variable] ../src/screening.f90:68:24: 68 | integer :: nall,ntemp,ncnf1,icyc,maxoptiter | 1 Warning: Unused variable ‘ntemp’ declared at (1) [-Wunused-variable] ../src/screening.f90:70:37: 70 | logical :: fail,equalrot2,ohbonded,include_enan,enan,ex | 1 Warning: Unused variable ‘ohbonded’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:23: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘r’ declared at (1) [-Wunused-variable] ../src/screening.f90:59:34: 59 | real(wp),allocatable :: rmat(:),eread(:) | 1 Warning: Unused variable ‘rmat’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:28: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable] ../src/screening.f90:66:21: 66 | real(wp) :: xx(10),r,rmsd,acc,T,beta,A,dum | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] [301/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_modef.f90.o -c ../src/modef.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/modef.f90:98:7: 98 | tag=365*val(1) + 30.5*val(2) + val(3) ! actual date | 1 Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at (1) [-Wconversion] ../src/modef.f90:561:15: 561 | integer n3,i,nprj | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:34: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘aa1’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:46: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘aa2’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:38: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘bb1’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:50: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘bb2’ declared at (1) [-Wunused-variable] ../src/modef.f90:67:71: 67 | real(wp),allocatable:: coord0(:,:), displ(:), xyzmin(:,:), bmat(:,:) | 1 Warning: Unused variable ‘bmat’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:42: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘cc1’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:54: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘cc2’ declared at (1) [-Wunused-variable] ../src/modef.f90:71:68: 71 | real(wp) :: norm,fc,updscal,aa1,bb1,cc1,aa2,bb2,cc2,ee,thr,dip(3) | 1 Warning: Unused variable ‘dip’ declared at (1) [-Wunused-variable] ../src/modef.f90:59:19: 59 | integer :: icall,maxiter | 1 Warning: Unused variable ‘icall’ declared at (1) [-Wunused-variable] ../src/modef.f90:74:36: 74 | integer :: m,ifind,isave,imod,kkk,minpos,tag,n36 | 1 Warning: Unused variable ‘kkk’ declared at (1) [-Wunused-variable] ../src/modef.f90:74:51: 74 | integer :: m,ifind,isave,imod,kkk,minpos,tag,n36 | 1 Warning: Unused variable ‘n36’ declared at (1) [-Wunused-variable] ../src/modef.f90:80:31: 80 | logical :: ex,fail,vecupdate,scfonly,ldum,intermol | 1 Warning: Unused variable ‘vecupdate’ declared at (1) [-Wunused-variable] [302/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_bias_path.f90.o -c ../src/bias_path.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../src/bias_path.f90:862:31: 862 | real(wp) :: dum, ddot | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:863:31: 863 | integer :: i,j,k,l | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:852:34: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | 1 Warning: Unused dummy argument ‘xyz0’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:852:39: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | 1 Warning: Unused dummy argument ‘xyz1’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:770:17: 770 | real(wp) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:770:23: 770 | real(wp) fs_x0,fs_x1,fss_x0,fss_x1 | 1 Warning: Unused variable ‘fs_x1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:776:17: 776 | integer :: i,j,nf | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:14: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:17: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:20: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘x2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:23: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:26: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:771:29: 771 | real(wp) x0,x1,x2,y0,y1,y2 | 1 Warning: Unused variable ‘y2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:602:28: 602 | real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3) | 1 Warning: Unused variable ‘strecke_x_inc’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:602:43: 602 | real(wp) :: strecke_X_inc,temp_strecke_X,xyz_0(3),xyz_1(3),xyz_diff(3) | 1 Warning: Unused variable ‘temp_strecke_x’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:564:43: 564 | real(wp), allocatable, dimension(:) :: v | 1 Warning: Unused variable ‘v’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:525:15: 525 | integer :: i,j,k | 1 Warning: Unused variable ‘i’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:526:25: 526 | integer :: modef, idat | 1 Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:514:34: 514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull) | 1 Warning: Unused dummy argument ‘its’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:525:17: 525 | integer :: i,j,k | 1 Warning: Unused variable ‘j’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:525:19: 525 | integer :: i,j,k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:526:19: 526 | integer :: modef, idat | 1 Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:524:36: 524 | real(wp), allocatable :: pvec1(:), pvec2(:) | 1 Warning: Unused variable ‘pvec1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:524:46: 524 | real(wp), allocatable :: pvec1(:), pvec2(:) | 1 Warning: Unused variable ‘pvec2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:514:42: 514 | subroutine metadyn_tsmode(n,sn,its,xyzpath,xyzact,kpull) | 1 Warning: Unused dummy argument ‘xyzpath’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:88:18: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘de_min’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:49: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘distort’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:42: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘drms’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:55: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘dum0’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:50: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘e1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:88:32: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘e_ed’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:88:37: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘e_pr’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:86:57: 86 | real(wp) fnat,rmsd_prod_thr,alp_change,k_change,edrmsd,ppull | 1 Warning: Unused variable ‘edrmsd’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:30:65: 30 | subroutine bias_path(env, mol, chk, calc, egap, et, maxiter, epot, grd, sigma) | 1 Warning: Unused dummy argument ‘epot’ at (1) [-Wunused-dummy-argument] ../src/bias_path.f90:91:18: 91 | logical fail,ex,done,degen | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:47: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘gnew’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:55: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘gnorm’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:88:27: 88 | real(wp) de_min,grad_min,e_ed,e_pr,de,ddot,gthr | 1 Warning: Unused variable ‘grad_min’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:82:26: 82 | integer ilog,ilog2,idat ! file handle | 1 Warning: Unused variable ‘idat’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:80:60: 80 | integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath | 1 Warning: Unused variable ‘maxcycle’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:81:28: 81 | integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100) | 1 Warning: Unused variable ‘modef’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:80:22: 80 | integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath | 1 Warning: Unused variable ‘nn’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:84:66: 84 | real(wp) U(3,3),x(3),y(3),rms,barr,drms,gnew,e1,dum0,r,rco,rms2,factor2 | 1 Warning: Unused variable ‘rms2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:80:32: 80 | integer i,j,k,ii,nn,olev,skip,irun,maxoptiter,nk,maxcycle,idum,maxpath | 1 Warning: Unused variable ‘skip’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:23: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘t3’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:64: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘thr’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:81:48: 81 | integer np,iter,its,modef,run,npathk,tsmodeav,ialp,nrefine,nalp,imem(100) | 1 Warning: Unused variable ‘tsmodeav’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:71: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:74: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘w2’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:17: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘x3’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:85:30: 85 | real(wp) x3(3),t3(3),xx(10),dum,factor,distort,gnorm,dum1,thr,scc,w1,w2 | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/bias_path.f90:665:28: 665 | subroutine cqpath_repos_asym(n,x1,x2) | ^ Warning: ‘cqpath_repos_asym’ defined but not used [-Wunused-function] ../src/bias_path.f90:698:29: 698 | subroutine cqpath_cube_spline(n,x,y,x2,y2) | ^ Warning: ‘cqpath_cube_spline’ defined but not used [-Wunused-function] ../src/bias_path.f90:852:20: 852 | subroutine cleanpath(np,n,xyz,xyz0,xyz1,pthr) | ^ Warning: ‘cleanpath’ defined but not used [-Wunused-function] In function ‘__xtb_biaspath_MOD_cqpath_damped_cube_spline’, inlined from ‘__xtb_biaspath_MOD_alignpath’ at ../src/bias_path.f90:626:83, inlined from ‘__xtb_biaspath_MOD_bias_path’ at ../src/bias_path.f90:383:38: ../src/bias_path.f90:746:20: warning: ‘y_wert’ may be used uninitialized [-Wmaybe-uninitialized] 746 | y2(i) = y_wert | ^ ../src/bias_path.f90: In function ‘__xtb_biaspath_MOD_bias_path’: ../src/bias_path.f90:737:18: note: ‘y_wert’ was declared here 737 | real(wp) y_wert | ^ [303/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -fPIC -pthread -fopenmp -DWITH_TBLITE=0 -Jlibxtb.so.6.6.1.p -o libxtb.so.6.6.1.p/src_docking_search_nci.f90.o -c ../src/docking/search_nci.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:1150:24: 1150 | integer :: i, j, k | 1 Warning: Unused variable ‘k’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:1114:35: 1114 | subroutine constrain_xTB_gff(env, mol) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/docking/search_nci.f90:999:29: 999 | 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.f90:124:32: 124 | 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.f90:124:36: 124 | 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.f90:124:40: 124 | 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.f90:181:23: 181 | character*80 atmp | 1 Warning: Unused variable ‘atmp’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:144:30: 144 | type(TTopology) :: bonds | 1 Warning: Unused variable ‘bonds’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:121:51: 121 | 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.f90:68:90: 68 | & 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.f90:68:83: 68 | & 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.f90:122:79: 122 | 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.f90:157:26: 157 | 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.f90:142:38: 142 | type(TGFFCalculator) :: gff_calc | 1 Warning: Unused variable ‘gff_calc’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:164:47: 164 | integer :: itopo = 32, ipocket = 53, ichr = 33, iscreen = 34 | 1 Warning: Unused variable ‘ichr’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:131:84: 131 | 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.f90:163:45: 163 | integer :: itemp = 64, iopt = 96, iprob = 30, ifinal = 31 | 1 Warning: Unused variable ‘iprob’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:164:61: 164 | integer :: itopo = 32, ipocket = 53, ichr = 33, iscreen = 34 | 1 Warning: Unused variable ‘iscreen’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:129:70: 129 | 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.f90:164:22: 164 | integer :: itopo = 32, ipocket = 53, ichr = 33, iscreen = 34 | 1 Warning: Unused variable ‘itopo’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:129:42: 129 | 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.f90:131:49: 131 | 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.f90:131:55: 131 | 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.f90:129:60: 129 | 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.f90:136:25: 136 | integer :: maxstruc | 1 Warning: Unused variable ‘maxstruc’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:174:23: 174 | integer :: minpos | 1 Warning: Unused variable ‘minpos’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:129:30: 129 | 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.f90:129:34: 129 | 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.f90:129:46: 129 | 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.f90:146:44: 146 | character(len=:), allocatable :: pfile | 1 Warning: Unused variable ‘pfile’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:124:28: 124 | 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.f90:128:20: 128 | real*4 :: r4 | 1 Warning: Unused variable ‘r4’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:126:43: 126 | real(wp) :: rmsd(n_opt*(n_opt + 1)/2) | 1 Warning: Unused variable ‘rmsd’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:124:68: 124 | 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.f90:124:72: 124 | 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.f90:172:23: 172 | real(wp) :: tmp_e | 1 Warning: Unused variable ‘tmp_e’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:124:64: 124 | 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.f90:135:25: 135 | logical :: tooclose | 1 Warning: Unused variable ‘tooclose’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:143:49: 143 | type(TGFFTopology) :: topo_backup, topo_xTB | 1 Warning: Unused variable ‘topo_xtb’ declared at (1) [-Wunused-variable] ../src/docking/search_nci.f90:124:76: 124 | 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.f90:124:80: 124 | 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.f90:137:35: 137 | 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.f90:649:16: warning: ‘bestsofar’ may be used uninitialized [-Wmaybe-uninitialized] 649 | if (rprob(1)*au .lt. bestsofar) then | ^ ../src/docking/search_nci.f90:121:68: note: ‘bestsofar’ was declared here 121 | real(wp) :: found_tmp(6), displ(6), c2(3, n2), f(6), bestsofar | ^ ../src/docking/search_nci.f90:981:32: warning: ‘.fnv’ may be used uninitialized [-Wmaybe-uninitialized] 981 | end subroutine docking_search | ^ ../src/docking/search_nci.f90:1016:27: note: ‘.fnv’ was declared here 1016 | end subroutine sortxyz_e | ^ ../src/docking/search_nci.f90:887:47: warning: ‘topo_backup.nbond’ may be used uninitialized [-Wmaybe-uninitialized] 887 | calc%topo%nbond = topo_backup%nbond | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.nbond’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:892:47: warning: ‘topo_backup.nfrag’ may be used uninitialized [-Wmaybe-uninitialized] 892 | calc%topo%nfrag = topo_backup%nfrag | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.nfrag’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:143:39: warning: ‘topo_backup.nb.offset’ may be used uninitialized [-Wmaybe-uninitialized] ../src/docking/search_nci.f90:540:44: warning: ‘topo_backup.nb.dim[0].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 540 | calc%topo%nb = topo_backup%nb | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.nb.dim[0].lbound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:540:44: warning: ‘topo_backup.nb.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 540 | calc%topo%nb = topo_backup%nb | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.nb.dim[0].ubound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:888:41: warning: ‘topo_backup.nb.dim[1].stride’ may be used uninitialized [-Wmaybe-uninitialized] 888 | calc%topo%nb = topo_backup%nb | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.nb.dim[1].stride’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:540:44: warning: ‘topo_backup.nb.dim[1].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 540 | calc%topo%nb = topo_backup%nb | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.nb.dim[1].lbound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:540:44: warning: ‘topo_backup.nb.dim[1].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 540 | calc%topo%nb = topo_backup%nb | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.nb.dim[1].ubound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:143:39: warning: ‘topo_backup.fraglist.offset’ may be used uninitialized [-Wmaybe-uninitialized] ../src/docking/search_nci.f90:543:56: warning: ‘topo_backup.fraglist.dim[0].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 543 | calc%topo%fraglist = topo_backup%fraglist | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.fraglist.dim[0].lbound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:543:56: warning: ‘topo_backup.fraglist.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 543 | calc%topo%fraglist = topo_backup%fraglist | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.fraglist.dim[0].ubound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:143:39: warning: ‘topo_backup.qa.offset’ may be used uninitialized [-Wmaybe-uninitialized] ../src/docking/search_nci.f90:542:44: warning: ‘topo_backup.qa.dim[0].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 542 | calc%topo%qa = topo_backup%qa | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.qa.dim[0].lbound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:542:44: warning: ‘topo_backup.qa.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 542 | calc%topo%qa = topo_backup%qa | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.qa.dim[0].ubound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:143:39: warning: ‘topo_backup.qfrag.offset’ may be used uninitialized [-Wmaybe-uninitialized] ../src/docking/search_nci.f90:541:50: warning: ‘topo_backup.qfrag.dim[0].lbound’ may be used uninitialized [-Wmaybe-uninitialized] 541 | calc%topo%qfrag = topo_backup%qfrag | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.qfrag.dim[0].lbound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:541:50: warning: ‘topo_backup.qfrag.dim[0].ubound’ may be used uninitialized [-Wmaybe-uninitialized] 541 | calc%topo%qfrag = topo_backup%qfrag | ^ ../src/docking/search_nci.f90:143:39: note: ‘topo_backup.qfrag.dim[0].ubound’ was declared here 143 | type(TGFFTopology) :: topo_backup, topo_xTB | ^ ../src/docking/search_nci.f90:928:64: warning: ‘xyz_pocket.offset’ may be used uninitialized [-Wmaybe-uninitialized] 928 | xyz_opt(i, j, n_opt + k) = xyz_pocket(i, j, k) | ^ ../src/docking/search_nci.f90:166:50: note: ‘xyz_pocket.offset’ was declared here 166 | real(wp), allocatable :: xyz_pocket(:, :, :) | ^ ../src/docking/search_nci.f90:928:64: warning: ‘xyz_pocket.dim[2].stride’ may be used uninitialized [-Wmaybe-uninitialized] 928 | xyz_opt(i, j, n_opt + k) = xyz_pocket(i, j, k) | ^ ../src/docking/search_nci.f90:166:50: note: ‘xyz_pocket.dim[2].stride’ was declared here 166 | real(wp), allocatable :: xyz_pocket(:, :, :) | ^ [304/343] rm -f libxtb.a && gcc-ar csrD libxtb.a libxtb.so.6.6.1.p/src_api_calculator.f90.o libxtb.so.6.6.1.p/src_api_environment.f90.o libxtb.so.6.6.1.p/src_api_molecule.f90.o libxtb.so.6.6.1.p/src_api_interface.f90.o libxtb.so.6.6.1.p/src_api_results.f90.o libxtb.so.6.6.1.p/src_api_utils.f90.o libxtb.so.6.6.1.p/src_api_version.f90.o libxtb.so.6.6.1.p/src_coulomb_ewald.f90.o libxtb.so.6.6.1.p/src_coulomb_gaussian.f90.o libxtb.so.6.6.1.p/src_coulomb_klopmanohno.f90.o libxtb.so.6.6.1.p/src_disp_coordinationnumber.f90.o libxtb.so.6.6.1.p/src_disp_dftd3.f.o libxtb.so.6.6.1.p/src_disp_dftd3.f90.o libxtb.so.6.6.1.p/src_disp_dftd3_parameters.f90.o libxtb.so.6.6.1.p/src_disp_dftd4.F90.o libxtb.so.6.6.1.p/src_disp_dftd4_parameters.f90.o libxtb.so.6.6.1.p/src_disp_encharges.f90.o libxtb.so.6.6.1.p/src_disp_ncoord.f90.o libxtb.so.6.6.1.p/src_docking_search_nci.f90.o libxtb.so.6.6.1.p/src_docking_param.f90.o libxtb.so.6.6.1.p/src_docking_set_module.f90.o libxtb.so.6.6.1.p/src_extern_driver.f90.o libxtb.so.6.6.1.p/src_extern_mopac.f90.o libxtb.so.6.6.1.p/src_extern_orca.f90.o libxtb.so.6.6.1.p/src_extern_turbomole.f90.o libxtb.so.6.6.1.p/src_freq_io.f90.o libxtb.so.6.6.1.p/src_freq_project.f90.o libxtb.so.6.6.1.p/src_freq_utils.f90.o libxtb.so.6.6.1.p/src_gfnff_calculator.f90.o libxtb.so.6.6.1.p/src_gfnff_data.f90.o libxtb.so.6.6.1.p/src_gfnff_frag_hess.f90.o libxtb.so.6.6.1.p/src_gfnff_gdisp0.f90.o libxtb.so.6.6.1.p/src_gfnff_generator.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_eg.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_ini.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_ini2.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_param.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_qm.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_rab.f.o libxtb.so.6.6.1.p/src_gfnff_gfnff_setup.f90.o libxtb.so.6.6.1.p/src_gfnff_math.f.o libxtb.so.6.6.1.p/src_gfnff_mrec.f90.o libxtb.so.6.6.1.p/src_gfnff_neighbourlist.f90.o libxtb.so.6.6.1.p/src_gfnff_shake_module.f90.o libxtb.so.6.6.1.p/src_gfnff_struc_converter.f90.o libxtb.so.6.6.1.p/src_gfnff_topology.f90.o libxtb.so.6.6.1.p/src_io_reader_genformat.f90.o libxtb.so.6.6.1.p/src_io_reader_orca.f90.o libxtb.so.6.6.1.p/src_io_reader_turbomole.f90.o libxtb.so.6.6.1.p/src_io_writer_gaussian.f90.o libxtb.so.6.6.1.p/src_io_writer_orca.f90.o libxtb.so.6.6.1.p/src_io_writer_turbomole.f90.o libxtb.so.6.6.1.p/src_io_reader.f90.o libxtb.so.6.6.1.p/src_io_writer.f90.o libxtb.so.6.6.1.p/src_iff_calculator.f90.o libxtb.so.6.6.1.p/src_iff_data.f90.o libxtb.so.6.6.1.p/src_iff_iff_energy.f90.o libxtb.so.6.6.1.p/src_iff_iff_ini.f90.o libxtb.so.6.6.1.p/src_iff_iff_lmo.f90.o libxtb.so.6.6.1.p/src_iff_iff_prepare.f90.o libxtb.so.6.6.1.p/src_main_defaults.f90.o libxtb.so.6.6.1.p/src_main_geometry.f90.o libxtb.so.6.6.1.p/src_main_json.f90.o libxtb.so.6.6.1.p/src_main_property.F90.o libxtb.so.6.6.1.p/src_main_setup.f90.o libxtb.so.6.6.1.p/src_mctc_blas_level1.F90.o libxtb.so.6.6.1.p/src_mctc_blas_level2.F90.o libxtb.so.6.6.1.p/src_mctc_blas_level3.F90.o libxtb.so.6.6.1.p/src_mctc_blas_wrap1.f90.o libxtb.so.6.6.1.p/src_mctc_blas_wrap2.f90.o libxtb.so.6.6.1.p/src_mctc_blas_wrap3.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_eigensolve.F90.o libxtb.so.6.6.1.p/src_mctc_lapack_geneigval.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_gst.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_stdeigval.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_trf.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_tri.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_trs.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_wrap.f90.o libxtb.so.6.6.1.p/src_mctc_accuracy.f90.o libxtb.so.6.6.1.p/src_mctc_boundaryconditions.f90.o libxtb.so.6.6.1.p/src_mctc_chartools.f90.o libxtb.so.6.6.1.p/src_mctc_convert.f90.o libxtb.so.6.6.1.p/src_mctc_filetypes.f90.o libxtb.so.6.6.1.p/src_mctc_io.f90.o libxtb.so.6.6.1.p/src_mctc_math.f90.o libxtb.so.6.6.1.p/src_mctc_namegen.f90.o libxtb.so.6.6.1.p/src_mctc_resize.f90.o libxtb.so.6.6.1.p/src_mctc_runtypes.f90.o libxtb.so.6.6.1.p/src_mctc_search.f90.o libxtb.so.6.6.1.p/src_mctc_sort.f90.o libxtb.so.6.6.1.p/src_mctc_symbols.f90.o libxtb.so.6.6.1.p/src_mctc_systools.F90.o libxtb.so.6.6.1.p/src_mctc_thresholds.f90.o libxtb.so.6.6.1.p/src_mctc_version.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_global.F90.o libxtb.so.6.6.1.p/src_mctc_mctc_strings.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_constants.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_param.f90.o libxtb.so.6.6.1.p/src_mctc_param_atomic_masses.f90.o libxtb.so.6.6.1.p/src_mctc_param_chemical_hardnesses.f90.o libxtb.so.6.6.1.p/src_mctc_param_covalent_radii.f90.o libxtb.so.6.6.1.p/src_mctc_param_electronegativities.f90.o libxtb.so.6.6.1.p/src_mctc_param_pse.f90.o libxtb.so.6.6.1.p/src_mctc_param_r4r2_expectation_values.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_timings.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_filetools.f90.o libxtb.so.6.6.1.p/src_mctc_linalg.f90.o libxtb.so.6.6.1.p/src_mctc_lapack.f90.o libxtb.so.6.6.1.p/src_mctc_blas.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_init.F90.o libxtb.so.6.6.1.p/src_mctc_error.f90.o libxtb.so.6.6.1.p/src_mctc_signal.c.o libxtb.so.6.6.1.p/src_param_atomicmass.f90.o libxtb.so.6.6.1.p/src_param_atomicrad.f90.o libxtb.so.6.6.1.p/src_param_covalentradd3.f90.o libxtb.so.6.6.1.p/src_param_paulingen.f90.o libxtb.so.6.6.1.p/src_param_sqrtzr4r2.f90.o libxtb.so.6.6.1.p/src_param_vdwradd3.f90.o libxtb.so.6.6.1.p/src_param_vdwradcosmo.f90.o libxtb.so.6.6.1.p/src_solv_ddcosmo_core.f90.o libxtb.so.6.6.1.p/src_solv_ddcosmo_solver.f90.o libxtb.so.6.6.1.p/src_solv_born.f90.o libxtb.so.6.6.1.p/src_solv_cm5.f90.o libxtb.so.6.6.1.p/src_solv_cosmo.f90.o libxtb.so.6.6.1.p/src_solv_gbsa.f90.o libxtb.so.6.6.1.p/src_solv_input.F90.o libxtb.so.6.6.1.p/src_solv_kernel.f90.o libxtb.so.6.6.1.p/src_solv_lebedev.f90.o libxtb.so.6.6.1.p/src_solv_model.f90.o libxtb.so.6.6.1.p/src_solv_sasa.f90.o libxtb.so.6.6.1.p/src_solv_state.f90.o libxtb.so.6.6.1.p/src_tblite_calculator.F90.o libxtb.so.6.6.1.p/src_tblite_restart.F90.o libxtb.so.6.6.1.p/src_type_anc.f90.o libxtb.so.6.6.1.p/src_type_atomlist.f90.o libxtb.so.6.6.1.p/src_type_basisset.f90.o libxtb.so.6.6.1.p/src_type_buffer.f90.o libxtb.so.6.6.1.p/src_type_calculator.f90.o libxtb.so.6.6.1.p/src_type_coulomb.f90.o libxtb.so.6.6.1.p/src_type_data.f90.o libxtb.so.6.6.1.p/src_type_dispersion_model.f90.o libxtb.so.6.6.1.p/src_type_environment.f90.o libxtb.so.6.6.1.p/src_type_fragments.f90.o libxtb.so.6.6.1.p/src_type_identitymap.f90.o libxtb.so.6.6.1.p/src_type_iohandler.f90.o libxtb.so.6.6.1.p/src_type_molecule.f90.o libxtb.so.6.6.1.p/src_type_neighbourlist.f90.o libxtb.so.6.6.1.p/src_type_latticepoint.f90.o libxtb.so.6.6.1.p/src_type_options.f90.o libxtb.so.6.6.1.p/src_type_param.f90.o libxtb.so.6.6.1.p/src_type_pcem.f90.o libxtb.so.6.6.1.p/src_type_reader.F90.o libxtb.so.6.6.1.p/src_type_restart.F90.o libxtb.so.6.6.1.p/src_type_setvar.f90.o libxtb.so.6.6.1.p/src_type_solvation.f90.o libxtb.so.6.6.1.p/src_type_timer.f90.o libxtb.so.6.6.1.p/src_type_topology.f90.o libxtb.so.6.6.1.p/src_type_wavefunction.f90.o libxtb.so.6.6.1.p/src_type_wignerseitzcell.f90.o libxtb.so.6.6.1.p/src_type_wsc.f90.o libxtb.so.6.6.1.p/src_type_vendordata.f90.o libxtb.so.6.6.1.p/src_xtb_basisset.f90.o libxtb.so.6.6.1.p/src_xtb_calculator.f90.o libxtb.so.6.6.1.p/src_xtb_coulomb.f90.o libxtb.so.6.6.1.p/src_xtb_data.f90.o libxtb.so.6.6.1.p/src_xtb_dispersion.f90.o libxtb.so.6.6.1.p/src_xtb_eeq.f90.o libxtb.so.6.6.1.p/src_xtb_gfn0.f90.o libxtb.so.6.6.1.p/src_xtb_gfn1.f90.o libxtb.so.6.6.1.p/src_xtb_gfn2.f90.o libxtb.so.6.6.1.p/src_xtb_halogen.f90.o libxtb.so.6.6.1.p/src_xtb_hamiltonian.f90.o libxtb.so.6.6.1.p/src_xtb_hamiltonian_gpu.f90.o libxtb.so.6.6.1.p/src_xtb_multipole.f90.o libxtb.so.6.6.1.p/src_xtb_repulsion.F90.o libxtb.so.6.6.1.p/src_xtb_thirdorder.f90.o libxtb.so.6.6.1.p/src_aespot.f90.o libxtb.so.6.6.1.p/src_anharmlib.f90.o libxtb.so.6.6.1.p/src_aoparam.f90.o libxtb.so.6.6.1.p/src_approxrab.f90.o libxtb.so.6.6.1.p/src_axis_trafo.f90.o libxtb.so.6.6.1.p/src_basic_geo.f90.o libxtb.so.6.6.1.p/src_bfgs.f90.o libxtb.so.6.6.1.p/src_bias_path.f90.o libxtb.so.6.6.1.p/src_blowsy.f90.o libxtb.so.6.6.1.p/src_broyden.f90.o libxtb.so.6.6.1.p/src_charge_model.f90.o libxtb.so.6.6.1.p/src_coffee.f90.o libxtb.so.6.6.1.p/src_constrain_param.f90.o libxtb.so.6.6.1.p/src_constrain_pot.f90.o libxtb.so.6.6.1.p/src_constr.f90.o libxtb.so.6.6.1.p/src_cqpath.f90.o libxtb.so.6.6.1.p/src_cube.f90.o libxtb.so.6.6.1.p/src_david2.f90.o libxtb.so.6.6.1.p/src_david.f.o libxtb.so.6.6.1.p/src_define.f90.o libxtb.so.6.6.1.p/src_detrotra.f90.o libxtb.so.6.6.1.p/src_dipole.f90.o libxtb.so.6.6.1.p/src_drsp.f.o libxtb.so.6.6.1.p/src_dtrafo.f90.o libxtb.so.6.6.1.p/src_dynamic.f90.o libxtb.so.6.6.1.p/src_eeq_model.f90.o libxtb.so.6.6.1.p/src_elem.f90.o libxtb.so.6.6.1.p/src_embedding.f90.o libxtb.so.6.6.1.p/src_enso_printout.f90.o libxtb.so.6.6.1.p/src_eqrot.f90.o libxtb.so.6.6.1.p/src_esp.f.o libxtb.so.6.6.1.p/src_expire.f90.o libxtb.so.6.6.1.p/src_features.F90.o libxtb.so.6.6.1.p/src_filetools.F90.o libxtb.so.6.6.1.p/src_fixparam.f90.o libxtb.so.6.6.1.p/src_foden.f90.o libxtb.so.6.6.1.p/src_fragment.f90.o libxtb.so.6.6.1.p/src_generate_wsc.f90.o libxtb.so.6.6.1.p/src_geoopt_driver.f90.o libxtb.so.6.6.1.p/src_geosum.f90.o libxtb.so.6.6.1.p/src_getkopt.f90.o libxtb.so.6.6.1.p/src_getname.f90.o libxtb.so.6.6.1.p/src_getsymnum.f90.o libxtb.so.6.6.1.p/src_gfn0param.f90.o libxtb.so.6.6.1.p/src_gfn_paramset.f90.o libxtb.so.6.6.1.p/src_gfn_prparam.f90.o libxtb.so.6.6.1.p/src_grad_core.f90.o libxtb.so.6.6.1.p/src_header.f90.o libxtb.so.6.6.1.p/src_hessian.F90.o libxtb.so.6.6.1.p/src_hlex.f90.o libxtb.so.6.6.1.p/src_ifind.f90.o libxtb.so.6.6.1.p/src_iniq.f90.o libxtb.so.6.6.1.p/src_intgrad.f90.o libxtb.so.6.6.1.p/src_intmodes.f90.o libxtb.so.6.6.1.p/src_intpack.f90.o libxtb.so.6.6.1.p/src_lidep.f90.o libxtb.so.6.6.1.p/src_lindh.f90.o libxtb.so.6.6.1.p/src_lin.f90.o libxtb.so.6.6.1.p/src_lin_mod.f90.o libxtb.so.6.6.1.p/src_local.f90.o libxtb.so.6.6.1.p/src_locmode.f90.o libxtb.so.6.6.1.p/src_lopt.f90.o libxtb.so.6.6.1.p/src_ls_rmsd.f90.o libxtb.so.6.6.1.p/src_makel.f90.o libxtb.so.6.6.1.p/src_matinv.f90.o libxtb.so.6.6.1.p/src_mdoptim.f90.o libxtb.so.6.6.1.p/src_metadynamic.f90.o libxtb.so.6.6.1.p/src_modef.f90.o libxtb.so.6.6.1.p/src_model_hessian.f90.o libxtb.so.6.6.1.p/src_neighbor.f90.o libxtb.so.6.6.1.p/src_onetri.f90.o libxtb.so.6.6.1.p/src_oniom.f90.o libxtb.so.6.6.1.p/src_optimizer.f90.o libxtb.so.6.6.1.p/src_pbc.f90.o libxtb.so.6.6.1.p/src_pbc_tools.f90.o libxtb.so.6.6.1.p/src_peeq_module.f90.o libxtb.so.6.6.1.p/src_pocketscan.f90.o libxtb.so.6.6.1.p/src_pqn.f90.o libxtb.so.6.6.1.p/src_printmold.f90.o libxtb.so.6.6.1.p/src_printout.f90.o libxtb.so.6.6.1.p/src_prmat.f90.o libxtb.so.6.6.1.p/src_pseudodiag.f90.o libxtb.so.6.6.1.p/src_qpot.f90.o libxtb.so.6.6.1.p/src_qsort.f90.o libxtb.so.6.6.1.p/src_rdcoord2.f90.o libxtb.so.6.6.1.p/src_read_gfn_param.f90.o libxtb.so.6.6.1.p/src_readin.f90.o libxtb.so.6.6.1.p/src_readl2.f90.o libxtb.so.6.6.1.p/src_readl.f90.o libxtb.so.6.6.1.p/src_relaxation_engine.f90.o libxtb.so.6.6.1.p/src_restart.f90.o libxtb.so.6.6.1.p/src_rmrottr.f90.o libxtb.so.6.6.1.p/src_rmsd.f90.o libxtb.so.6.6.1.p/src_scan_driver.f90.o libxtb.so.6.6.1.p/src_scanparam.f90.o libxtb.so.6.6.1.p/src_scc_core.f90.o libxtb.so.6.6.1.p/src_scf_module.F90.o libxtb.so.6.6.1.p/src_screening.f90.o libxtb.so.6.6.1.p/src_set_module.f90.o libxtb.so.6.6.1.p/src_setparam.f90.o libxtb.so.6.6.1.p/src_shake_module.f90.o libxtb.so.6.6.1.p/src_shiftlp.f90.o libxtb.so.6.6.1.p/src_single.f90.o libxtb.so.6.6.1.p/src_slater.f90.o libxtb.so.6.6.1.p/src_sphereparam.f90.o libxtb.so.6.6.1.p/src_spline2.f90.o libxtb.so.6.6.1.p/src_spline3.f90.o libxtb.so.6.6.1.p/src_splitparam.f90.o libxtb.so.6.6.1.p/src_stm.f.o libxtb.so.6.6.1.p/src_surfac.f.o libxtb.so.6.6.1.p/src_thermo.f90.o libxtb.so.6.6.1.p/src_timing.f90.o libxtb.so.6.6.1.p/src_topology.f90.o libxtb.so.6.6.1.p/src_vertical.f90.o libxtb.so.6.6.1.p/src_wrbas.f90.o libxtb.so.6.6.1.p/src_wrgbw.f90.o libxtb.so.6.6.1.p/src_wrmodef.f90.o libxtb.so.6.6.1.p/src_wrmo.f90.o libxtb.so.6.6.1.p/src_xhelp.f90.o libxtb.so.6.6.1.p/src_zmatpr.f90.o libxtb.so.6.6.1.p/symmetry_symmetry.f90.o libxtb.so.6.6.1.p/symmetry_symmetry_i.c.o [305/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_submodules.f90.o -c ../src/prog/submodules.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [306/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_argparser.f90.o -c ../src/prog/argparser.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [307/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_atomlist.f90:108:34: 108 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:93:42: 93 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:82:34: 82 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:81:42: 81 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:70:34: 70 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:69:42: 69 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:57:34: 57 | integer, allocatable :: list(:) | 1 Warning: Unused variable ‘list’ declared at (1) [-Wunused-variable] ../test/unit/test_atomlist.f90:56:42: 56 | character(len=:), allocatable :: string | 1 Warning: Unused variable ‘string’ declared at (1) [-Wunused-variable] [308/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [309/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_info.f90.o -c ../src/prog/info.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [310/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_irmod.f90.o -c ../src/prog/irmod.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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 | ^ [311/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_thermo.f90.o -c ../src/prog/thermo.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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] [312/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_topology.f90.o -c ../src/prog/topology.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:149:45: 149 | character(len=:), allocatable :: flag, sec | 1 Warning: Unused variable ‘sec’ declared at (1) [-Wunused-variable] [313/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_dock.f90.o -c ../src/prog/dock.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-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.f90:1045:36: 1045 | subroutine get_attractive_pot(env,comb) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/prog/dock.f90:1002:35: 1002 | subroutine get_repulsive_pot(env,xyz,comb) | 1 Warning: Unused dummy argument ‘env’ at (1) [-Wunused-dummy-argument] ../src/prog/dock.f90:959:22: 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.f90:956:19: 956 | integer :: ic | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:957:19: 957 | integer :: ie | 1 Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:950:41: 950 | character(len=:),allocatable :: key | 1 Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:952:45: 952 | character(len=:),allocatable :: newname | 1 Warning: Unused variable ‘newname’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:951:41: 951 | character(len=:),allocatable :: val | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:873:22: 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.f90:868:19: 868 | integer :: ic | 1 Warning: Unused variable ‘ic’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:869:19: 869 | integer :: ie | 1 Warning: Unused variable ‘ie’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:861:42: 861 | character(len=:), allocatable :: key | 1 Warning: Unused variable ‘key’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:862:42: 862 | character(len=:), allocatable :: val | 1 Warning: Unused variable ‘val’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:338:29: 338 | integer :: nFlags, idum | 1 Warning: Unused variable ‘idum’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:103:24: 103 | real(wp) :: e, dum, xx(10), zeffqmdff(86) ! various | 1 Warning: Unused variable ‘dum’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:95:44: 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.f90:103:32: 103 | real(wp) :: e, dum, xx(10), zeffqmdff(86) ! various | 1 Warning: Unused variable ‘xx’ declared at (1) [-Wunused-variable] ../src/prog/dock.f90:103:47: 103 | real(wp) :: e, dum, xx(10), zeffqmdff(86) ! various | 1 Warning: Unused variable ‘zeffqmdff’ declared at (1) [-Wunused-variable] [314/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [315/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_main.F90.o -c ../src/prog/main.F90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] ../src/prog/main.F90:21:7: 21 | use xtb_mctc_timings | 1 Warning: Type specified for intrinsic function ‘kind’ at (1) is ignored [-Wsurprising] ../src/prog/main.F90:1170:24: 1170 | integer :: idum, ndum | 1 Warning: Unused variable ‘ndum’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:121:33: 121 | type(chrg_parameter) :: chrgeq | 1 Warning: Unused variable ‘chrgeq’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:191:22: 191 | logical :: epr,diff,murks | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:182:19: 182 | real(wp) :: dum5,egap,etot,ipeashift | 1 Warning: Unused variable ‘dum5’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:156:45: 156 | real(wp),allocatable :: dumdumdum (:,:,:) | 1 Warning: Unused variable ‘dumdumdum’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:191:17: 191 | logical :: epr,diff,murks | 1 Warning: Unused variable ‘epr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:190:16: 190 | logical :: ex,okbas | 1 Warning: Unused variable ‘ex’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:197:21: 197 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:183:46: 183 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘g298’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:153:33: 153 | type(TxTBParameter) :: globpar | 1 Warning: Unused variable ‘globpar’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:195:23: 195 | logical :: newreader | 1 Warning: Unused variable ‘newreader’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:202:19: 202 | integer :: nproc | 1 Warning: Unused variable ‘nproc’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:190:22: 190 | logical :: ex,okbas | 1 Warning: Unused variable ‘okbas’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:201:38: 201 | 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.F90:201:58: 201 | 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.F90:157:33: 157 | real(wp),allocatable :: q (:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:158:34: 158 | real(wp),allocatable :: ql (:) | 1 Warning: Unused variable ‘ql’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:159:34: 159 | real(wp),allocatable :: qr (:) | 1 Warning: Unused variable ‘qr’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:183:22: 183 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘t0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:183:25: 183 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘t1’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:201:17: 201 | integer :: TID, OMP_GET_NUM_THREADS, OMP_GET_THREAD_NUM | 1 Warning: Unused variable ‘tid’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:183:28: 183 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘w0’ declared at (1) [-Wunused-variable] ../src/prog/main.F90:183:31: 183 | real(wp) :: zero,t0,t1,w0,w1,acc,etot2,g298 | 1 Warning: Unused variable ‘w1’ declared at (1) [-Wunused-variable] ../src/prog/main.F90: In function ‘__xtb_prog_main_MOD_xtbmain’: ../src/prog/main.F90:764:35: warning: ‘ip’ may be used uninitialized [-Wmaybe-uninitialized] 764 | vomega=(ip+ea)**2/(8*(ip-ea)) | ^ ../src/prog/main.F90:185:20: note: ‘ip’ was declared here 185 | real(wp) :: ea,ip | ^ [316/343] gfortran -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -Jxtb.p -o xtb.p/src_prog_primary.f90.o -c ../src/prog/primary.f90 f951: Warning: Nonexistent include directory ‘/usr/include/mctc-lib/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [317/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_dftd3.f90:664:32: 664 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:661:53: 661 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:488:32: 488 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:485:53: 485 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:298:32: 298 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:295:53: 295 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd3.f90:113:32: 113 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] [318/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_dftd4.f90:741:58: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:741:45: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:733:32: 733 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:741:32: 741 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:730:53: 730 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:58: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdl’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:45: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘dqdr’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:550:32: 550 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:558:32: 558 | real(wp), allocatable :: q(:), dqdr(:,:,:), dqdL(:,:,:) | 1 Warning: Unused variable ‘q’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:547:53: 547 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:335:32: 335 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:332:53: 332 | real(wp), allocatable :: trans(:, :), trans2(:, :) | 1 Warning: Unused variable ‘trans2’ declared at (1) [-Wunused-variable] ../test/unit/test_dftd4.f90:120:32: 120 | real(wp) :: er, el, eps(3, 3) | 1 Warning: Unused variable ‘eps’ declared at (1) [-Wunused-variable] [319/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_docking.f90:67:19: 67 | integer :: at(n) | 1 Warning: Unused variable ‘at’ declared at (1) [-Wunused-variable] ../test/unit/test_docking.f90:73:40: 73 | type(TMolecule) :: molA,molB,comb | 1 Warning: Unused variable ‘comb’ declared at (1) [-Wunused-variable] ../test/unit/test_docking.f90:79:20: 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.f90:68:23: 68 | real(wp) :: xyz(3,n) | 1 Warning: Unused variable ‘xyz’ declared at (1) [-Wunused-variable] [320/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_eeq.f90:554:35: 554 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1 Warning: Unused variable ‘fgb’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:554:42: 554 | real(wp),allocatable :: fgb(:,:),fhb(:) | 1 Warning: Unused variable ‘fhb’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:185:21: 185 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] ../test/unit/test_eeq.f90:77:21: 77 | logical :: exitRun | 1 Warning: Unused variable ‘exitrun’ declared at (1) [-Wunused-variable] [321/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_coulomb.f90:1507:18: 1507 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:1335:18: 1335 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:1174:18: 1174 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:895:18: 895 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:697:18: 697 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:437:18: 437 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:263:18: 263 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_coulomb.f90:94:18: 94 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [322/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn0.f90:102:37: 102 | logical :: okpar,okbas,exist,diff | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [323/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn1.f90:795:18: 795 | integer :: iMol | 1 Warning: Unused variable ‘imol’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:535:29: 535 | type(tb_pcem) :: pcem | 1 Warning: Unused variable ‘pcem’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:543:26: 543 | real(wp) :: stress(3,3) | 1 Warning: Unused variable ‘stress’ declared at (1) [-Wunused-variable] ../test/unit/test_gfn1.f90:100:31: 100 | logical :: okpar,okbas,diff,exitRun | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [324/343] gcc -o test/api/xtb_c_test test/api/xtb_c_test.p/c_api_example.c.o -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -Wl,--as-needed -Wl,--no-undefined -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [325/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfn2.f90:1014:18: 1014 | integer :: iMol | 1 Warning: Unused variable ‘imol’ declared at (1) [-Wunused-variable] [326/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [327/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [328/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [329/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_gfnff.f90:258:20: 258 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:255:38: 255 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:256:19: 256 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:173:20: 173 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:170:38: 170 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:171:19: 171 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:91:20: 91 | logical :: exist | 1 Warning: Unused variable ‘exist’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:88:38: 88 | character(len=:),allocatable :: fnv | 1 Warning: Unused variable ‘fnv’ declared at (1) [-Wunused-variable] ../test/unit/test_gfnff.f90:89:19: 89 | integer :: ipar | 1 Warning: Unused variable ‘ipar’ declared at (1) [-Wunused-variable] [330/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [331/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [332/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_repulsion.f90:218:18: 218 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] ../test/unit/test_repulsion.f90:86:18: 86 | logical :: fail | 1 Warning: Unused variable ‘fail’ declared at (1) [-Wunused-variable] [333/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_c20’: ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:220:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 220 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:151:37: note: ‘xyz’ declared here 151 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_pcl3’: ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:129:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 129 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:117:37: note: ‘xyz’ declared here 117 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_li8’: ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:97:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 97 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:81:37: note: ‘xyz’ declared here 81 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90: In function ‘__test_symmetry_MOD_test_symmetry_water’: ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.offset’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[0].lbound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[0].ubound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[1].lbound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ ../test/unit/test_symmetry.f90:61:18: warning: ‘xyz.dim[1].ubound’ is used uninitialized [-Wuninitialized] 61 | & ],[3,nat]) | ^ ../test/unit/test_symmetry.f90:50:37: note: ‘xyz’ declared here 50 | real(wp), allocatable :: xyz(:, :) | ^ [334/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_oniom.f90:282:38: 282 | integer,allocatable :: idx_orig(:) | 1 Warning: Unused variable ‘idx_orig’ declared at (1) [-Wunused-variable] ../test/unit/test_oniom.f90:275:37: 275 | type(TMolecule) :: mol, inner_mol | 1 Warning: Unused variable ‘inner_mol’ declared at (1) [-Wunused-variable] ../test/unit/test_oniom.f90:281:40: 281 | real(wp),allocatable :: jacobian(:,:) | 1 Warning: Unused variable ‘jacobian’ declared at (1) [-Wunused-variable] [335/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_thermo.f90:242:19: 242 | real(wp) :: etot, htot, gtot | 1 Warning: Unused variable ‘etot’ declared at (1) [-Wunused-variable] ../test/unit/test_thermo.f90:71:38: 71 | real(wp) :: eval3(3), coord3(3,nat) | 1 Warning: Unused variable ‘coord3’ declared at (1) [-Wunused-variable] ../test/unit/test_thermo.f90:71:23: 71 | real(wp) :: eval3(3), coord3(3,nat) | 1 Warning: Unused variable ‘eval3’ declared at (1) [-Wunused-variable] [336/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-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.f90:110:25: 110 | logical :: okbas,diff | 1 Warning: Unused variable ‘diff’ declared at (1) [-Wunused-variable] [337/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [338/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined ../test/unit/test_tblite.f90:238:35: 238 | subroutine test_gfn1_mindless_basic(error) | ^ Warning: ‘test_gfn1_mindless_basic’ defined but not used [-Wunused-function] [339/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [340/343] gfortran -Itest/unit/tester.p -Itest/unit -I../test/unit -I../include -Ilibxtb.so.6.6.1.p -Ilibxtb.a.p -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/include/test-drive/GNU-13.1.1 -I/usr/lib64/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -pthread -fopenmp -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/gcc-13.1.1’ [-Wmissing-include-dirs] f951: Warning: Nonexistent include directory ‘/usr/include/test-drive/GNU-13.1.1’ [-Wmissing-include-dirs] f951: Warning: -D_FORTIFY_SOURCE not defined f951: Warning: -D_GLIBCXX_ASSERTIONS not defined [341/343] gfortran -o xtb xtb.p/src_prog_argparser.f90.o xtb.p/src_prog_dock.f90.o xtb.p/src_prog_info.f90.o xtb.p/src_prog_irmod.f90.o xtb.p/src_prog_main.F90.o xtb.p/src_prog_primary.f90.o xtb.p/src_prog_submodules.f90.o xtb.p/src_prog_thermo.f90.o xtb.p/src_prog_topology.f90.o -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [342/343] gfortran -o libxtb.so.6.6.1 libxtb.so.6.6.1.p/src_api_calculator.f90.o libxtb.so.6.6.1.p/src_api_environment.f90.o libxtb.so.6.6.1.p/src_api_molecule.f90.o libxtb.so.6.6.1.p/src_api_interface.f90.o libxtb.so.6.6.1.p/src_api_results.f90.o libxtb.so.6.6.1.p/src_api_utils.f90.o libxtb.so.6.6.1.p/src_api_version.f90.o libxtb.so.6.6.1.p/src_coulomb_ewald.f90.o libxtb.so.6.6.1.p/src_coulomb_gaussian.f90.o libxtb.so.6.6.1.p/src_coulomb_klopmanohno.f90.o libxtb.so.6.6.1.p/src_disp_coordinationnumber.f90.o libxtb.so.6.6.1.p/src_disp_dftd3.f.o libxtb.so.6.6.1.p/src_disp_dftd3.f90.o libxtb.so.6.6.1.p/src_disp_dftd3_parameters.f90.o libxtb.so.6.6.1.p/src_disp_dftd4.F90.o libxtb.so.6.6.1.p/src_disp_dftd4_parameters.f90.o libxtb.so.6.6.1.p/src_disp_encharges.f90.o libxtb.so.6.6.1.p/src_disp_ncoord.f90.o libxtb.so.6.6.1.p/src_docking_search_nci.f90.o libxtb.so.6.6.1.p/src_docking_param.f90.o libxtb.so.6.6.1.p/src_docking_set_module.f90.o libxtb.so.6.6.1.p/src_extern_driver.f90.o libxtb.so.6.6.1.p/src_extern_mopac.f90.o libxtb.so.6.6.1.p/src_extern_orca.f90.o libxtb.so.6.6.1.p/src_extern_turbomole.f90.o libxtb.so.6.6.1.p/src_freq_io.f90.o libxtb.so.6.6.1.p/src_freq_project.f90.o libxtb.so.6.6.1.p/src_freq_utils.f90.o libxtb.so.6.6.1.p/src_gfnff_calculator.f90.o libxtb.so.6.6.1.p/src_gfnff_data.f90.o libxtb.so.6.6.1.p/src_gfnff_frag_hess.f90.o libxtb.so.6.6.1.p/src_gfnff_gdisp0.f90.o libxtb.so.6.6.1.p/src_gfnff_generator.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_eg.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_ini.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_ini2.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_param.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_qm.f90.o libxtb.so.6.6.1.p/src_gfnff_gfnff_rab.f.o libxtb.so.6.6.1.p/src_gfnff_gfnff_setup.f90.o libxtb.so.6.6.1.p/src_gfnff_math.f.o libxtb.so.6.6.1.p/src_gfnff_mrec.f90.o libxtb.so.6.6.1.p/src_gfnff_neighbourlist.f90.o libxtb.so.6.6.1.p/src_gfnff_shake_module.f90.o libxtb.so.6.6.1.p/src_gfnff_struc_converter.f90.o libxtb.so.6.6.1.p/src_gfnff_topology.f90.o libxtb.so.6.6.1.p/src_io_reader_genformat.f90.o libxtb.so.6.6.1.p/src_io_reader_orca.f90.o libxtb.so.6.6.1.p/src_io_reader_turbomole.f90.o libxtb.so.6.6.1.p/src_io_writer_gaussian.f90.o libxtb.so.6.6.1.p/src_io_writer_orca.f90.o libxtb.so.6.6.1.p/src_io_writer_turbomole.f90.o libxtb.so.6.6.1.p/src_io_reader.f90.o libxtb.so.6.6.1.p/src_io_writer.f90.o libxtb.so.6.6.1.p/src_iff_calculator.f90.o libxtb.so.6.6.1.p/src_iff_data.f90.o libxtb.so.6.6.1.p/src_iff_iff_energy.f90.o libxtb.so.6.6.1.p/src_iff_iff_ini.f90.o libxtb.so.6.6.1.p/src_iff_iff_lmo.f90.o libxtb.so.6.6.1.p/src_iff_iff_prepare.f90.o libxtb.so.6.6.1.p/src_main_defaults.f90.o libxtb.so.6.6.1.p/src_main_geometry.f90.o libxtb.so.6.6.1.p/src_main_json.f90.o libxtb.so.6.6.1.p/src_main_property.F90.o libxtb.so.6.6.1.p/src_main_setup.f90.o libxtb.so.6.6.1.p/src_mctc_blas_level1.F90.o libxtb.so.6.6.1.p/src_mctc_blas_level2.F90.o libxtb.so.6.6.1.p/src_mctc_blas_level3.F90.o libxtb.so.6.6.1.p/src_mctc_blas_wrap1.f90.o libxtb.so.6.6.1.p/src_mctc_blas_wrap2.f90.o libxtb.so.6.6.1.p/src_mctc_blas_wrap3.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_eigensolve.F90.o libxtb.so.6.6.1.p/src_mctc_lapack_geneigval.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_gst.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_stdeigval.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_trf.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_tri.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_trs.f90.o libxtb.so.6.6.1.p/src_mctc_lapack_wrap.f90.o libxtb.so.6.6.1.p/src_mctc_accuracy.f90.o libxtb.so.6.6.1.p/src_mctc_boundaryconditions.f90.o libxtb.so.6.6.1.p/src_mctc_chartools.f90.o libxtb.so.6.6.1.p/src_mctc_convert.f90.o libxtb.so.6.6.1.p/src_mctc_filetypes.f90.o libxtb.so.6.6.1.p/src_mctc_io.f90.o libxtb.so.6.6.1.p/src_mctc_math.f90.o libxtb.so.6.6.1.p/src_mctc_namegen.f90.o libxtb.so.6.6.1.p/src_mctc_resize.f90.o libxtb.so.6.6.1.p/src_mctc_runtypes.f90.o libxtb.so.6.6.1.p/src_mctc_search.f90.o libxtb.so.6.6.1.p/src_mctc_sort.f90.o libxtb.so.6.6.1.p/src_mctc_symbols.f90.o libxtb.so.6.6.1.p/src_mctc_systools.F90.o libxtb.so.6.6.1.p/src_mctc_thresholds.f90.o libxtb.so.6.6.1.p/src_mctc_version.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_global.F90.o libxtb.so.6.6.1.p/src_mctc_mctc_strings.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_constants.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_param.f90.o libxtb.so.6.6.1.p/src_mctc_param_atomic_masses.f90.o libxtb.so.6.6.1.p/src_mctc_param_chemical_hardnesses.f90.o libxtb.so.6.6.1.p/src_mctc_param_covalent_radii.f90.o libxtb.so.6.6.1.p/src_mctc_param_electronegativities.f90.o libxtb.so.6.6.1.p/src_mctc_param_pse.f90.o libxtb.so.6.6.1.p/src_mctc_param_r4r2_expectation_values.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_timings.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_filetools.f90.o libxtb.so.6.6.1.p/src_mctc_linalg.f90.o libxtb.so.6.6.1.p/src_mctc_lapack.f90.o libxtb.so.6.6.1.p/src_mctc_blas.f90.o libxtb.so.6.6.1.p/src_mctc_mctc_init.F90.o libxtb.so.6.6.1.p/src_mctc_error.f90.o libxtb.so.6.6.1.p/src_mctc_signal.c.o libxtb.so.6.6.1.p/src_param_atomicmass.f90.o libxtb.so.6.6.1.p/src_param_atomicrad.f90.o libxtb.so.6.6.1.p/src_param_covalentradd3.f90.o libxtb.so.6.6.1.p/src_param_paulingen.f90.o libxtb.so.6.6.1.p/src_param_sqrtzr4r2.f90.o libxtb.so.6.6.1.p/src_param_vdwradd3.f90.o libxtb.so.6.6.1.p/src_param_vdwradcosmo.f90.o libxtb.so.6.6.1.p/src_solv_ddcosmo_core.f90.o libxtb.so.6.6.1.p/src_solv_ddcosmo_solver.f90.o libxtb.so.6.6.1.p/src_solv_born.f90.o libxtb.so.6.6.1.p/src_solv_cm5.f90.o libxtb.so.6.6.1.p/src_solv_cosmo.f90.o libxtb.so.6.6.1.p/src_solv_gbsa.f90.o libxtb.so.6.6.1.p/src_solv_input.F90.o libxtb.so.6.6.1.p/src_solv_kernel.f90.o libxtb.so.6.6.1.p/src_solv_lebedev.f90.o libxtb.so.6.6.1.p/src_solv_model.f90.o libxtb.so.6.6.1.p/src_solv_sasa.f90.o libxtb.so.6.6.1.p/src_solv_state.f90.o libxtb.so.6.6.1.p/src_tblite_calculator.F90.o libxtb.so.6.6.1.p/src_tblite_restart.F90.o libxtb.so.6.6.1.p/src_type_anc.f90.o libxtb.so.6.6.1.p/src_type_atomlist.f90.o libxtb.so.6.6.1.p/src_type_basisset.f90.o libxtb.so.6.6.1.p/src_type_buffer.f90.o libxtb.so.6.6.1.p/src_type_calculator.f90.o libxtb.so.6.6.1.p/src_type_coulomb.f90.o libxtb.so.6.6.1.p/src_type_data.f90.o libxtb.so.6.6.1.p/src_type_dispersion_model.f90.o libxtb.so.6.6.1.p/src_type_environment.f90.o libxtb.so.6.6.1.p/src_type_fragments.f90.o libxtb.so.6.6.1.p/src_type_identitymap.f90.o libxtb.so.6.6.1.p/src_type_iohandler.f90.o libxtb.so.6.6.1.p/src_type_molecule.f90.o libxtb.so.6.6.1.p/src_type_neighbourlist.f90.o libxtb.so.6.6.1.p/src_type_latticepoint.f90.o libxtb.so.6.6.1.p/src_type_options.f90.o libxtb.so.6.6.1.p/src_type_param.f90.o libxtb.so.6.6.1.p/src_type_pcem.f90.o libxtb.so.6.6.1.p/src_type_reader.F90.o libxtb.so.6.6.1.p/src_type_restart.F90.o libxtb.so.6.6.1.p/src_type_setvar.f90.o libxtb.so.6.6.1.p/src_type_solvation.f90.o libxtb.so.6.6.1.p/src_type_timer.f90.o libxtb.so.6.6.1.p/src_type_topology.f90.o libxtb.so.6.6.1.p/src_type_wavefunction.f90.o libxtb.so.6.6.1.p/src_type_wignerseitzcell.f90.o libxtb.so.6.6.1.p/src_type_wsc.f90.o libxtb.so.6.6.1.p/src_type_vendordata.f90.o libxtb.so.6.6.1.p/src_xtb_basisset.f90.o libxtb.so.6.6.1.p/src_xtb_calculator.f90.o libxtb.so.6.6.1.p/src_xtb_coulomb.f90.o libxtb.so.6.6.1.p/src_xtb_data.f90.o libxtb.so.6.6.1.p/src_xtb_dispersion.f90.o libxtb.so.6.6.1.p/src_xtb_eeq.f90.o libxtb.so.6.6.1.p/src_xtb_gfn0.f90.o libxtb.so.6.6.1.p/src_xtb_gfn1.f90.o libxtb.so.6.6.1.p/src_xtb_gfn2.f90.o libxtb.so.6.6.1.p/src_xtb_halogen.f90.o libxtb.so.6.6.1.p/src_xtb_hamiltonian.f90.o libxtb.so.6.6.1.p/src_xtb_hamiltonian_gpu.f90.o libxtb.so.6.6.1.p/src_xtb_multipole.f90.o libxtb.so.6.6.1.p/src_xtb_repulsion.F90.o libxtb.so.6.6.1.p/src_xtb_thirdorder.f90.o libxtb.so.6.6.1.p/src_aespot.f90.o libxtb.so.6.6.1.p/src_anharmlib.f90.o libxtb.so.6.6.1.p/src_aoparam.f90.o libxtb.so.6.6.1.p/src_approxrab.f90.o libxtb.so.6.6.1.p/src_axis_trafo.f90.o libxtb.so.6.6.1.p/src_basic_geo.f90.o libxtb.so.6.6.1.p/src_bfgs.f90.o libxtb.so.6.6.1.p/src_bias_path.f90.o libxtb.so.6.6.1.p/src_blowsy.f90.o libxtb.so.6.6.1.p/src_broyden.f90.o libxtb.so.6.6.1.p/src_charge_model.f90.o libxtb.so.6.6.1.p/src_coffee.f90.o libxtb.so.6.6.1.p/src_constrain_param.f90.o libxtb.so.6.6.1.p/src_constrain_pot.f90.o libxtb.so.6.6.1.p/src_constr.f90.o libxtb.so.6.6.1.p/src_cqpath.f90.o libxtb.so.6.6.1.p/src_cube.f90.o libxtb.so.6.6.1.p/src_david2.f90.o libxtb.so.6.6.1.p/src_david.f.o libxtb.so.6.6.1.p/src_define.f90.o libxtb.so.6.6.1.p/src_detrotra.f90.o libxtb.so.6.6.1.p/src_dipole.f90.o libxtb.so.6.6.1.p/src_drsp.f.o libxtb.so.6.6.1.p/src_dtrafo.f90.o libxtb.so.6.6.1.p/src_dynamic.f90.o libxtb.so.6.6.1.p/src_eeq_model.f90.o libxtb.so.6.6.1.p/src_elem.f90.o libxtb.so.6.6.1.p/src_embedding.f90.o libxtb.so.6.6.1.p/src_enso_printout.f90.o libxtb.so.6.6.1.p/src_eqrot.f90.o libxtb.so.6.6.1.p/src_esp.f.o libxtb.so.6.6.1.p/src_expire.f90.o libxtb.so.6.6.1.p/src_features.F90.o libxtb.so.6.6.1.p/src_filetools.F90.o libxtb.so.6.6.1.p/src_fixparam.f90.o libxtb.so.6.6.1.p/src_foden.f90.o libxtb.so.6.6.1.p/src_fragment.f90.o libxtb.so.6.6.1.p/src_generate_wsc.f90.o libxtb.so.6.6.1.p/src_geoopt_driver.f90.o libxtb.so.6.6.1.p/src_geosum.f90.o libxtb.so.6.6.1.p/src_getkopt.f90.o libxtb.so.6.6.1.p/src_getname.f90.o libxtb.so.6.6.1.p/src_getsymnum.f90.o libxtb.so.6.6.1.p/src_gfn0param.f90.o libxtb.so.6.6.1.p/src_gfn_paramset.f90.o libxtb.so.6.6.1.p/src_gfn_prparam.f90.o libxtb.so.6.6.1.p/src_grad_core.f90.o libxtb.so.6.6.1.p/src_header.f90.o libxtb.so.6.6.1.p/src_hessian.F90.o libxtb.so.6.6.1.p/src_hlex.f90.o libxtb.so.6.6.1.p/src_ifind.f90.o libxtb.so.6.6.1.p/src_iniq.f90.o libxtb.so.6.6.1.p/src_intgrad.f90.o libxtb.so.6.6.1.p/src_intmodes.f90.o libxtb.so.6.6.1.p/src_intpack.f90.o libxtb.so.6.6.1.p/src_lidep.f90.o libxtb.so.6.6.1.p/src_lindh.f90.o libxtb.so.6.6.1.p/src_lin.f90.o libxtb.so.6.6.1.p/src_lin_mod.f90.o libxtb.so.6.6.1.p/src_local.f90.o libxtb.so.6.6.1.p/src_locmode.f90.o libxtb.so.6.6.1.p/src_lopt.f90.o libxtb.so.6.6.1.p/src_ls_rmsd.f90.o libxtb.so.6.6.1.p/src_makel.f90.o libxtb.so.6.6.1.p/src_matinv.f90.o libxtb.so.6.6.1.p/src_mdoptim.f90.o libxtb.so.6.6.1.p/src_metadynamic.f90.o libxtb.so.6.6.1.p/src_modef.f90.o libxtb.so.6.6.1.p/src_model_hessian.f90.o libxtb.so.6.6.1.p/src_neighbor.f90.o libxtb.so.6.6.1.p/src_onetri.f90.o libxtb.so.6.6.1.p/src_oniom.f90.o libxtb.so.6.6.1.p/src_optimizer.f90.o libxtb.so.6.6.1.p/src_pbc.f90.o libxtb.so.6.6.1.p/src_pbc_tools.f90.o libxtb.so.6.6.1.p/src_peeq_module.f90.o libxtb.so.6.6.1.p/src_pocketscan.f90.o libxtb.so.6.6.1.p/src_pqn.f90.o libxtb.so.6.6.1.p/src_printmold.f90.o libxtb.so.6.6.1.p/src_printout.f90.o libxtb.so.6.6.1.p/src_prmat.f90.o libxtb.so.6.6.1.p/src_pseudodiag.f90.o libxtb.so.6.6.1.p/src_qpot.f90.o libxtb.so.6.6.1.p/src_qsort.f90.o libxtb.so.6.6.1.p/src_rdcoord2.f90.o libxtb.so.6.6.1.p/src_read_gfn_param.f90.o libxtb.so.6.6.1.p/src_readin.f90.o libxtb.so.6.6.1.p/src_readl2.f90.o libxtb.so.6.6.1.p/src_readl.f90.o libxtb.so.6.6.1.p/src_relaxation_engine.f90.o libxtb.so.6.6.1.p/src_restart.f90.o libxtb.so.6.6.1.p/src_rmrottr.f90.o libxtb.so.6.6.1.p/src_rmsd.f90.o libxtb.so.6.6.1.p/src_scan_driver.f90.o libxtb.so.6.6.1.p/src_scanparam.f90.o libxtb.so.6.6.1.p/src_scc_core.f90.o libxtb.so.6.6.1.p/src_scf_module.F90.o libxtb.so.6.6.1.p/src_screening.f90.o libxtb.so.6.6.1.p/src_set_module.f90.o libxtb.so.6.6.1.p/src_setparam.f90.o libxtb.so.6.6.1.p/src_shake_module.f90.o libxtb.so.6.6.1.p/src_shiftlp.f90.o libxtb.so.6.6.1.p/src_single.f90.o libxtb.so.6.6.1.p/src_slater.f90.o libxtb.so.6.6.1.p/src_sphereparam.f90.o libxtb.so.6.6.1.p/src_spline2.f90.o libxtb.so.6.6.1.p/src_spline3.f90.o libxtb.so.6.6.1.p/src_splitparam.f90.o libxtb.so.6.6.1.p/src_stm.f.o libxtb.so.6.6.1.p/src_surfac.f.o libxtb.so.6.6.1.p/src_thermo.f90.o libxtb.so.6.6.1.p/src_timing.f90.o libxtb.so.6.6.1.p/src_topology.f90.o libxtb.so.6.6.1.p/src_vertical.f90.o libxtb.so.6.6.1.p/src_wrbas.f90.o libxtb.so.6.6.1.p/src_wrgbw.f90.o libxtb.so.6.6.1.p/src_wrmodef.f90.o libxtb.so.6.6.1.p/src_wrmo.f90.o libxtb.so.6.6.1.p/src_xhelp.f90.o libxtb.so.6.6.1.p/src_zmatpr.f90.o libxtb.so.6.6.1.p/symmetry_symmetry.f90.o libxtb.so.6.6.1.p/symmetry_symmetry_i.c.o -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -shared -fPIC -Wl,--start-group -Wl,-soname,libxtb.so.6 -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used [343/343] gfortran -o test/unit/tester test/unit/tester.p/main.f90.o test/unit/tester.p/molstock.f90.o test/unit/tester.p/test_atomlist.f90.o test/unit/tester.p/test_coordinationnumber.f90.o test/unit/tester.p/test_coulomb.f90.o test/unit/tester.p/test_dftd3.f90.o test/unit/tester.p/test_dftd4.f90.o test/unit/tester.p/test_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_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 -L/usr/lib/gcc/ppc64le-redhat-linux/13 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../../../lib64 -L/usr/lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/usr/lib/gcc/ppc64le-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib64/gfortran/modules -Wl,--as-needed -Wl,--no-undefined -Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib64/libmctc-lib.so /usr/lib64/libtest-drive.so -lflexiblas -fopenmp -lgfortran -lm -Wl,--end-group ../src/type/environment.f90:139:49: warning: type of ‘raise’ does not match original declaration [-Wlto-type-mismatch] 139 | call raise('E',"Parsing HOSTNAME failed!",1) | ^ ../src/mctc/error.f90:18:16: note: type mismatch in parameter 3 18 | subroutine raise(mode,message) | ^ ../src/mctc/error.f90:18:16: note: ‘raise’ was previously declared here ../src/mctc/error.f90:18:16: note: code may be misoptimized unless ‘-fno-strict-aliasing’ is used INFO: autodetecting backend as ninja INFO: calculating backend command to run: /usr/bin/ninja -C /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build -j 5 -v + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.rfE2N0 + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le '!=' / ']' + rm -rf /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le ++ dirname /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.6.1 + DESTDIR=/builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le + /usr/bin/meson install -C redhat-linux-build --no-rebuild Installing libxtb.so.6.6.1 to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/lib64 Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/lib64 Installing xtb to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/bin Installing /builddir/build/BUILD/xtb-6.6.1/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/include/ Installing /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/xtb.1 to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/man/man1 Installing /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/xcontrol.7 to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/man/man7 Installing /builddir/build/BUILD/xtb-6.6.1/param_gfn0-xtb.txt to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/param_gfn2-xtb.txt to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/param_gfn1-xtb.txt to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/param_gfn1-si-xtb.txt to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/param_ipea-xtb.txt to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/assets/config_env.bash to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/assets/config_env.csh to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/assets/xtb.pc to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/lib64/pkgconfig Installing /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/assets/xtb.tcl to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/modules/modulefiles/xtb Installing symlink pointing to libxtb.so.6.6.1 to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/lib64/libxtb.so.6 Installing symlink pointing to libxtb.so.6 to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/lib64/libxtb.so + rm /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/lib64/libxtb.a + rm -rf /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/modules + mkdir -p /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/etc/profile.d + cat + cat + /usr/bin/find-debuginfo -j5 --strict-build-id -m -i --build-id-seed 6.6.1-1.fc40 --unique-debug-suffix -6.6.1-1.fc40.ppc64le --unique-debug-src-base xtb-6.6.1-1.fc40.ppc64le --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 50000000 -S debugsourcefiles.list /builddir/build/BUILD/xtb-6.6.1 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-6.6.1-1.fc40.ppc64le cpio: redhat-linux-build/param_alpb_acetone.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_acetonitrile.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_aniline.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_benzaldehyde.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_benzene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ch2cl2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_chcl3.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_cs2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dioxane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dmf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dmso.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ethanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ether.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ethylacetate.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_furane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_hexadecane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_hexane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_methanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_nitromethane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_octanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_phenol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_thf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_toluene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_water.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_woctanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_cosmo.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_cosmo_inf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_acetone.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_acetonitrile.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_benzene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_ch2cl2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_chcl3.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_cs2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_dmf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_dmso.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_ether.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_h2o.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_methanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_nhexan.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_thf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_toluene.fh: Cannot stat: No such file or directory 12135 blocks find-debuginfo: done + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-ldconfig + /usr/lib/rpm/brp-compress + /usr/lib/rpm/redhat/brp-strip-lto /usr/bin/strip + /usr/lib/rpm/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/check-rpaths + /usr/lib/rpm/redhat/brp-mangle-shebangs 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 + env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j5 + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.wju6RX + umask 022 + cd /builddir/build/BUILD + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -mcpu=power8 -mtune=power8 -fasynchronous-unwind-tables -fstack-clash-protection -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Clink-arg=-Wl,-z,relro -Clink-arg=-Wl,-z,now -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.6.1 ++ hostname + export HOSTNAME=c736cface446461b988363d009163c7b + HOSTNAME=c736cface446461b988363d009163c7b + export OMP_NUM_THREADS=1 + OMP_NUM_THREADS=1 + /usr/bin/meson test -C redhat-linux-build --num-processes 5 --print-errorlogs --timeout-multiplier=10 ninja: Entering directory `/builddir/build/BUILD/xtb-6.6.1/redhat-linux-build' ninja: no work to do. 1/30 xtb:unit / atomlist OK 0.02s 2/30 xtb / C API OK 0.09s 3/30 xtb:unit / coordinationnumber OK 0.12s 4/30 xtb:unit / eeq OK 0.10s 5/30 xtb:unit / docking OK 0.23s 6/30 xtb:unit / gfn0 OK 0.44s 7/30 xtb:unit / coulomb OK 1.46s 8/30 xtb:unit / gfnff OK 0.36s 9/30 xtb:unit / hessian OK 0.06s 10/30 xtb:unit / iff OK 0.23s 11/30 xtb:unit / latticepoint OK 0.01s 12/30 xtb:unit / molecule OK 0.01s 13/30 xtb:unit / dftd3 OK 2.16s 14/30 xtb:unit / pbc-tools OK 0.01s 15/30 xtb:unit / oniom OK 0.07s 16/30 xtb:unit / peeq OK 0.19s 17/30 xtb:unit / dftd4 OK 2.40s 18/30 xtb:unit / tblite OK 0.02s 19/30 xtb:unit / thermo OK 0.02s 20/30 xtb:unit / symmetry OK 0.11s 21/30 xtb:unit / wsc OK 0.01s 22/30 xtb / Argparser print version OK 0.01s 23/30 xtb / Argparser print help OK 0.01s 24/30 xtb:unit / vertical OK 0.07s 25/30 xtb / Argparser print license OK 0.01s 26/30 xtb / Info OK 0.01s 27/30 xtb / Argparser no arguments EXPECTEDFAIL 0.11s exit status 1 28/30 xtb:unit / repulsion OK 0.64s 29/30 xtb:unit / gfn1 OK 3.83s 30/30 xtb:unit / gfn2 OK 3.65s Ok: 29 Expected Fail: 1 Fail: 0 Unexpected Pass: 0 Skipped: 0 Timeout: 0 Full log written to /builddir/build/BUILD/xtb-6.6.1/redhat-linux-build/meson-logs/testlog.txt + RPM_EC=0 ++ jobs -p + exit 0 Processing files: xtb-6.6.1-1.fc40.ppc64le Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.RNNFmN + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + DOCDIR=/builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/doc/xtb + export LC_ALL=C + LC_ALL=C + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/doc/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/README.md /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/doc/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/CONTRIBUTING.md /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/doc/xtb + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.lbUwyz + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + LICENSEDIR=/builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/COPYING /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/COPYING.LESSER /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/README.md /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb + RPM_EC=0 ++ jobs -p + exit 0 Provides: xtb = 6.6.1-1.fc40 xtb(ppc-64) = 6.6.1-1.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libflexiblas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(GOMP_5.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libm.so.6(GLIBC_2.29)(64bit) libmctc-lib.so.0()(64bit) rtld(GNU_HASH) Processing files: xtb-data-6.6.1-1.fc40.noarch Provides: xtb-data = 6.6.1-1.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/bash /usr/bin/csh Processing files: xtb-libs-6.6.1-1.fc40.ppc64le Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.vev1M4 + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + LICENSEDIR=/builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb-libs + export LC_ALL=C + LC_ALL=C + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb-libs + cp -pr /builddir/build/BUILD/xtb-6.6.1/COPYING /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb-libs + cp -pr /builddir/build/BUILD/xtb-6.6.1/COPYING.LESSER /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb-libs + cp -pr /builddir/build/BUILD/xtb-6.6.1/README.md /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le/usr/share/licenses/xtb-libs + RPM_EC=0 ++ jobs -p + exit 0 Provides: libxtb.so.6()(64bit) xtb-libs = 6.6.1-1.fc40 xtb-libs(ppc-64) = 6.6.1-1.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libc.so.6()(64bit) libc.so.6(GLIBC_2.17)(64bit) libc.so.6(GLIBC_2.32)(64bit) libflexiblas.so.3()(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libgfortran.so.5()(64bit) libgfortran.so.5(GFORTRAN_10)(64bit) libgfortran.so.5(GFORTRAN_8)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(GOMP_5.0)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.17)(64bit) libm.so.6(GLIBC_2.29)(64bit) libm.so.6(GLIBC_2.38)(64bit) libmctc-lib.so.0()(64bit) rtld(GNU_HASH) Processing files: xtb-devel-6.6.1-1.fc40.ppc64le Provides: pkgconfig(xtb) = 6.6.1 xtb-devel = 6.6.1-1.fc40 xtb-devel(ppc-64) = 6.6.1-1.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/pkg-config libxtb.so.6()(64bit) Processing files: xtb-debugsource-6.6.1-1.fc40.ppc64le Provides: xtb-debugsource = 6.6.1-1.fc40 xtb-debugsource(ppc-64) = 6.6.1-1.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: xtb-debuginfo-6.6.1-1.fc40.ppc64le Provides: debuginfo(build-id) = 632f6d91f0e7fb4ffc49712f78b6510e526a2fd8 xtb-debuginfo = 6.6.1-1.fc40 xtb-debuginfo(ppc-64) = 6.6.1-1.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: xtb-debugsource(ppc-64) = 6.6.1-1.fc40 Processing files: xtb-libs-debuginfo-6.6.1-1.fc40.ppc64le Provides: debuginfo(build-id) = 979a8ee8550b172187616ddf9ab1a8bdb5d2085b libxtb.so.6.6.1-6.6.1-1.fc40.ppc64le.debug()(64bit) xtb-libs-debuginfo = 6.6.1-1.fc40 xtb-libs-debuginfo(ppc-64) = 6.6.1-1.fc40 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: xtb-debugsource(ppc-64) = 6.6.1-1.fc40 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le Wrote: /builddir/build/RPMS/xtb-6.6.1-1.fc40.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-data-6.6.1-1.fc40.noarch.rpm Wrote: /builddir/build/RPMS/xtb-devel-6.6.1-1.fc40.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-libs-6.6.1-1.fc40.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-debuginfo-6.6.1-1.fc40.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-debugsource-6.6.1-1.fc40.ppc64le.rpm Wrote: /builddir/build/RPMS/xtb-libs-debuginfo-6.6.1-1.fc40.ppc64le.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.YFVPaX + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + /usr/bin/rm -rf /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.ppc64le + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.RolHrs + umask 022 + cd /builddir/build/BUILD + rm -rf /builddir/build/BUILD/xtb-6.6.1-SPECPARTS + rm -rf xtb-6.6.1 xtb-6.6.1.gemspec + RPM_EC=0 ++ jobs -p + exit 0 Finish: rpmbuild xtb-6.6.1-1.fc40.src.rpm Finish: build phase for xtb-6.6.1-1.fc40.src.rpm INFO: chroot_scan: 3 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-39-ppc64le-1692102054.535910/root/var/log/dnf.rpm.log /var/lib/mock/fedora-39-ppc64le-1692102054.535910/root/var/log/dnf.librepo.log /var/lib/mock/fedora-39-ppc64le-1692102054.535910/root/var/log/dnf.log INFO: Done(/var/lib/copr-rpmbuild/results/xtb-6.6.1-1.fc40.src.rpm) Config(child) 3 minutes 30 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