Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c190' (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-i386 --chroot fedora-39-i386 Version: 0.68 PID: 5620 Logging PID: 5621 Task: {'appstream': False, 'background': True, 'build_id': 6275742, 'buildroot_pkgs': [], 'chroot': 'fedora-39-i386', '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-i386/', '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-i386', 'timeout': 18000, 'uses_devel_repo': False, 'with_opts': [], 'without_opts': []} Running: git clone https://copr-dist-git.fedorainfracloud.org/git/psimovec/openblas-0.3.23/xtb /var/lib/copr-rpmbuild/workspace/workdir-x2juhrwq/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-x2juhrwq/xtb', '--depth', '500', '--no-single-branch', '--recursive'] cwd: . rc: 0 stdout: stderr: Cloning into '/var/lib/copr-rpmbuild/workspace/workdir-x2juhrwq/xtb'... Running: git checkout e127810d92043241d345d96980df4b3291e8fab9 -- cmd: ['git', 'checkout', 'e127810d92043241d345d96980df4b3291e8fab9', '--'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-x2juhrwq/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 /usr/bin/tail: /var/lib/copr-rpmbuild/main.log: file truncated cmd: ['copr-distgit-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-x2juhrwq/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 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 10.9M 0 --:--:-- --:--:-- --:--:-- 11.0M 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-x2juhrwq/xtb/xtb.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-x2juhrwq/xtb --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1692035958.155212 -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-x2juhrwq/xtb/xtb.spec) Config(fedora-39-i686) 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-i686-bootstrap-1692035958.155212/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-i686-bootstrap-1692035958.155212/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/a79e852a77eed0c76ae62e624668e2ba3357b52f269b9ad9247c2e818436bcaa/merged INFO: umounting image registry.fedoraproject.org/fedora:39 (/var/lib/containers/storage/overlay/a79e852a77eed0c76ae62e624668e2ba3357b52f269b9ad9247c2e818436bcaa/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 45 MB/s | 12 MB 00:00 Additional repo http_kojipkgs_fedoraproject_org 29 MB/s | 69 MB 00:02 local 74 MB/s | 69 MB 00:00 Last metadata expiration check: 0:00:02 ago on Mon Aug 14 17:59:47 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 x86_64 1:1.14.8-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 156 k python3-dateutil noarch 1:2.8.2-10.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 344 k python3-dbus x86_64 1.3.2-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 146 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 x86_64 235-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 101 k Transaction Summary ======================================================================================================================== Install 7 Packages Total download size: 1.1 M Installed size: 3.5 M Downloading Packages: (1/7): python3-dbus-1.3.2-4.fc39.x86_64.rpm 1.8 MB/s | 146 kB 00:00 (2/7): dbus-libs-1.14.8-2.fc39.x86_64.rpm 1.7 MB/s | 156 kB 00:00 (3/7): python3-distro-1.8.0-6.fc39.noarch.rpm 2.3 MB/s | 44 kB 00:00 (4/7): python3-dateutil-2.8.2-10.fc39.noarch.rp 3.3 MB/s | 344 kB 00:00 (5/7): python3-six-1.16.0-12.fc39.noarch.rpm 2.1 MB/s | 41 kB 00:00 (6/7): python3-dnf-plugins-core-4.4.2-1.fc39.no 9.7 MB/s | 278 kB 00:00 (7/7): python3-systemd-235-5.fc39.x86_64.rpm 5.0 MB/s | 101 kB 00:00 -------------------------------------------------------------------------------- Total 8.7 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.x86_64 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.x86_64 5/7 Installing : python3-dbus-1.3.2-4.fc39.x86_64 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.x86_64 1/7 Verifying : python3-dateutil-1:2.8.2-10.fc39.noarch 2/7 Verifying : python3-dbus-1.3.2-4.fc39.x86_64 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.x86_64 7/7 Installed: dbus-libs-1:1.14.8-2.fc39.x86_64 python3-dateutil-1:2.8.2-10.fc39.noarch python3-dbus-1.3.2-4.fc39.x86_64 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.x86_64 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-i686-1692035958.155212/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 50 MB/s | 12 MB 00:00 Additional repo http_kojipkgs_fedoraproject_org 11 MB/s | 59 MB 00:05 local 64 MB/s | 59 MB 00:00 Last metadata expiration check: 0:00:03 ago on Mon Aug 14 18:00:35 2023. Dependencies resolved. ======================================================================================================================================== Package Arch Version Repository Size ======================================================================================================================================== Installing group/module packages: bash i686 5.2.15-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.8 M bzip2 i686 1.0.8-16.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 53 k coreutils i686 9.3-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 M cpio i686 2.14-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 278 k diffutils i686 3.10-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 394 k fedora-release noarch 40-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.2 k findutils i686 1:4.9.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 492 k gawk i686 5.2.2-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 M glibc-minimal-langpack i686 2.38-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 67 k grep i686 3.11-5.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 294 k gzip i686 1.12-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 158 k info i686 7.0.3-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 183 k patch i686 2.7.6-22.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 138 k redhat-rpm-config noarch 262-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 77 k rpm-build i686 4.18.92-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 71 k sed i686 4.8-14.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 300 k shadow-utils i686 2:4.13-8.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 M tar i686 2:1.35-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 865 k unzip i686 6.0-62.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 180 k util-linux i686 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.2 M which i686 2.21-40.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 42 k xz i686 5.4.4-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 534 k Installing dependencies: alternatives i686 1.25-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 39 k ansible-srpm-macros noarch 1-11.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 21 k audit-libs i686 3.1.2-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 125 k authselect i686 1.4.2-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 140 k authselect-libs i686 1.4.2-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 238 k basesystem noarch 11-18.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.2 k binutils i686 2.40-13.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 5.8 M binutils-gold i686 2.40-13.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 865 k bzip2-libs i686 1.0.8-16.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41 k ca-certificates noarch 2023.2.60_v7.0.306-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 837 k coreutils-common i686 9.3-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.1 M cracklib i686 2.9.11-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 83 k crypto-policies noarch 20230731-1.git5ed06e0.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 68 k curl i686 8.2.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 347 k cyrus-sasl-lib i686 2.1.28-11.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 857 k debugedit i686 5.0-10.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 79 k dwz i686 0.15-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 139 k ed i686 1.19-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 78 k efi-srpm-macros noarch 5-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 22 k elfutils i686 0.189-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 551 k elfutils-debuginfod-client i686 0.189-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 39 k elfutils-default-yama-scope noarch 0.189-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 13 k elfutils-libelf i686 0.189-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 201 k elfutils-libs i686 0.189-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 289 k fedora-gpg-keys noarch 40-0.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 119 k fedora-release-common noarch 40-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 17 k fedora-release-identity-basic noarch 40-0.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.0 k fedora-repos noarch 40-0.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.4 k fedora-repos-rawhide noarch 40-0.1 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.0 k file i686 5.44-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 49 k file-libs i686 5.44-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 737 k filesystem i686 3.18-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 M fonts-srpm-macros noarch 1:2.0.5-12.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26 k fpc-srpm-macros noarch 1.3-8.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.4 k gdb-minimal i686 13.2-7.fc40 copr_base 4.5 M gdbm-libs i686 1:1.23-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 60 k ghc-srpm-macros noarch 1.6.1-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.8 k glibc i686 2.38-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 M glibc-common i686 2.38-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 355 k glibc-gconv-extra i686 2.38-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 M gmp i686 1:6.2.1-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 306 k gnat-srpm-macros noarch 6-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.8 k go-srpm-macros noarch 3.2.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 27 k jansson i686 2.13.1-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 46 k kernel-srpm-macros noarch 1.0-20.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 10 k keyutils-libs i686 1.6.1-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 32 k krb5-libs i686 1.21-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 804 k libacl i686 2.3.1-8.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 25 k libarchive i686 3.7.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 450 k libattr i686 2.5.1-8.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18 k libblkid i686 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 127 k libbrotli i686 1.0.9-13.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 318 k libcap i686 2.48-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 69 k libcap-ng i686 0.8.3-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 33 k libcom_err i686 1.47.0-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26 k libcurl i686 8.2.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 355 k libdb i686 5.3.28-56.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 818 k libeconf i686 0.4.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 28 k libevent i686 2.1.12-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 277 k libfdisk i686 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 176 k libffi i686 3.4.4-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 38 k libgcc i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 118 k libgomp i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 322 k libidn2 i686 2.3.4-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 111 k libmount i686 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 161 k libnghttp2 i686 1.55.1-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 81 k libnsl2 i686 2.0.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 31 k libpkgconf i686 1.9.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 41 k libpsl i686 0.21.2-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 63 k libpwquality i686 1.4.5-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 109 k libselinux i686 3.5-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 92 k libsemanage i686 3.5-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 129 k libsepol i686 3.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 337 k libsigsegv i686 2.14-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 27 k libsmartcols i686 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 69 k libssh i686 0.10.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 226 k libssh-config noarch 0.10.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.2 k libstdc++ i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 926 k libtasn1 i686 4.19.0-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 75 k libtirpc i686 1.3.3-1.rc2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 101 k libunistring i686 1.1-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 551 k libutempter i686 1.2.1-10.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 27 k libuuid i686 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 29 k libverto i686 0.3.2-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 21 k libxcrypt i686 4.4.36-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 123 k libxml2 i686 2.10.4-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 743 k libzstd i686 1.5.5-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 290 k lua-libs i686 5.4.6-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 149 k lua-srpm-macros noarch 1-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.6 k lz4-libs i686 1.9.4-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 70 k mpfr i686 4.2.0-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 380 k ncurses-base noarch 6.4-6.20230520.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 63 k ncurses-libs i686 6.4-6.20230520.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 357 k ocaml-srpm-macros noarch 8-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 14 k openblas-srpm-macros noarch 2-14.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.5 k openldap i686 2.6.6-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 273 k openssl-libs i686 1:3.1.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.1 M p11-kit i686 0.25.0-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 470 k p11-kit-trust i686 0.25.0-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 139 k package-notes-srpm-macros noarch 0.5-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11 k pam i686 1.5.3-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 527 k pam-libs i686 1.5.3-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 60 k pcre2 i686 10.42-1.fc39.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 231 k pcre2-syntax noarch 10.42-1.fc39.2 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 143 k perl-srpm-macros noarch 1-51.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.0 k pkgconf i686 1.9.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 43 k pkgconf-m4 noarch 1.9.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 14 k pkgconf-pkg-config i686 1.9.5-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.6 k popt i686 1.19-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 62 k publicsuffix-list-dafsa noarch 20230614-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 57 k pyproject-srpm-macros noarch 1.9.0-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 14 k python-srpm-macros noarch 3.12-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 25 k qt5-srpm-macros noarch 5.15.10-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.3 k qt6-srpm-macros noarch 6.5.2-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 9.2 k readline i686 8.2-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 218 k rpm i686 4.18.92-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 505 k rpm-build-libs i686 4.18.92-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 102 k rpm-libs i686 4.18.92-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 340 k rpm-sequoia i686 1.4.1-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 945 k rpmautospec-rpm-macros noarch 0.3.5-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.8 k rust-srpm-macros noarch 24-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 12 k setup noarch 2.14.4-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 148 k sqlite-libs i686 3.42.0-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 718 k systemd-libs i686 254.1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 728 k tzdata noarch 2023c-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 433 k util-linux-core i686 2.39.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 491 k xxhash-libs i686 0.8.2-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 49 k xz-libs i686 5.4.4-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 118 k zip i686 3.0-38.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 267 k zlib i686 1.2.13-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 93 k zstd i686 1.5.5-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 451 k Installing Groups: build Transaction Summary ======================================================================================================================================== Install 153 Packages Total download size: 53 M Installed size: 177 M Downloading Packages: (1/153): ansible-srpm-macros-1-11.fc39.noarch.r 312 kB/s | 21 kB 00:00 (2/153): alternatives-1.25-1.fc39.i686.rpm 555 kB/s | 39 kB 00:00 (3/153): audit-libs-3.1.2-1.fc39.i686.rpm 4.3 MB/s | 125 kB 00:00 (4/153): authselect-1.4.2-3.fc39.i686.rpm 3.9 MB/s | 140 kB 00:00 (5/153): authselect-libs-1.4.2-3.fc39.i686.rpm 8.3 MB/s | 238 kB 00:00 (6/153): basesystem-11-18.fc39.noarch.rpm 402 kB/s | 7.2 kB 00:00 (7/153): gdb-minimal-13.2-7.fc40.i686.rpm 28 MB/s | 4.5 MB 00:00 (8/153): bash-5.2.15-5.fc39.i686.rpm 33 MB/s | 1.8 MB 00:00 (9/153): bzip2-1.0.8-16.fc39.i686.rpm 2.2 MB/s | 53 kB 00:00 (10/153): bzip2-libs-1.0.8-16.fc39.i686.rpm 1.8 MB/s | 41 kB 00:00 (11/153): binutils-2.40-13.fc39.i686.rpm 50 MB/s | 5.8 MB 00:00 (12/153): ca-certificates-2023.2.60_v7.0.306-2. 24 MB/s | 837 kB 00:00 (13/153): binutils-gold-2.40-13.fc39.i686.rpm 7.2 MB/s | 865 kB 00:00 (14/153): coreutils-9.3-2.fc39.i686.rpm 28 MB/s | 1.2 MB 00:00 (15/153): cpio-2.14-4.fc39.i686.rpm 11 MB/s | 278 kB 00:00 (16/153): cracklib-2.9.11-2.fc39.i686.rpm 3.0 MB/s | 83 kB 00:00 (17/153): coreutils-common-9.3-2.fc39.i686.rpm 40 MB/s | 2.1 MB 00:00 (18/153): crypto-policies-20230731-1.git5ed06e0 3.4 MB/s | 68 kB 00:00 (19/153): curl-8.2.1-2.fc40.i686.rpm 15 MB/s | 347 kB 00:00 (20/153): debugedit-5.0-10.fc39.i686.rpm 3.5 MB/s | 79 kB 00:00 (21/153): diffutils-3.10-3.fc39.i686.rpm 16 MB/s | 394 kB 00:00 (22/153): cyrus-sasl-lib-2.1.28-11.fc39.i686.rp 17 MB/s | 857 kB 00:00 (23/153): dwz-0.15-3.fc39.i686.rpm 6.2 MB/s | 139 kB 00:00 (24/153): ed-1.19-4.fc39.i686.rpm 3.4 MB/s | 78 kB 00:00 (25/153): efi-srpm-macros-5-9.fc39.noarch.rpm 1.3 MB/s | 22 kB 00:00 (26/153): elfutils-debuginfod-client-0.189-4.fc 1.9 MB/s | 39 kB 00:00 (27/153): elfutils-default-yama-scope-0.189-4.f 779 kB/s | 13 kB 00:00 (28/153): elfutils-0.189-4.fc39.i686.rpm 15 MB/s | 551 kB 00:00 (29/153): elfutils-libelf-0.189-4.fc39.i686.rpm 8.5 MB/s | 201 kB 00:00 (30/153): elfutils-libs-0.189-4.fc39.i686.rpm 12 MB/s | 289 kB 00:00 (31/153): fedora-gpg-keys-40-0.1.noarch.rpm 5.7 MB/s | 119 kB 00:00 (32/153): fedora-release-40-0.2.noarch.rpm 420 kB/s | 7.2 kB 00:00 (33/153): fedora-release-common-40-0.2.noarch.r 1.0 MB/s | 17 kB 00:00 (34/153): fedora-release-identity-basic-40-0.2. 314 kB/s | 8.0 kB 00:00 (35/153): fedora-repos-40-0.1.noarch.rpm 555 kB/s | 9.4 kB 00:00 (36/153): fedora-repos-rawhide-40-0.1.noarch.rp 481 kB/s | 9.0 kB 00:00 (37/153): file-5.44-5.fc39.i686.rpm 2.2 MB/s | 49 kB 00:00 (38/153): file-libs-5.44-5.fc39.i686.rpm 23 MB/s | 737 kB 00:00 (39/153): findutils-4.9.0-5.fc39.i686.rpm 19 MB/s | 492 kB 00:00 (40/153): filesystem-3.18-6.fc39.i686.rpm 23 MB/s | 1.1 MB 00:00 (41/153): fonts-srpm-macros-2.0.5-12.fc39.noarc 1.3 MB/s | 26 kB 00:00 (42/153): fpc-srpm-macros-1.3-8.fc39.noarch.rpm 433 kB/s | 7.4 kB 00:00 (43/153): gdbm-libs-1.23-4.fc39.i686.rpm 2.6 MB/s | 60 kB 00:00 (44/153): ghc-srpm-macros-1.6.1-2.fc39.noarch.r 448 kB/s | 7.8 kB 00:00 (45/153): gawk-5.2.2-2.fc39.i686.rpm 31 MB/s | 1.0 MB 00:00 (46/153): glibc-common-2.38-1.fc39.i686.rpm 15 MB/s | 355 kB 00:00 (47/153): glibc-minimal-langpack-2.38-1.fc39.i6 2.9 MB/s | 67 kB 00:00 (48/153): glibc-2.38-1.fc39.i686.rpm 32 MB/s | 1.9 MB 00:00 (49/153): glibc-gconv-extra-2.38-1.fc39.i686.rp 30 MB/s | 1.6 MB 00:00 (50/153): gmp-6.2.1-5.fc39.i686.rpm 13 MB/s | 306 kB 00:00 (51/153): gnat-srpm-macros-6-3.fc39.noarch.rpm 523 kB/s | 8.8 kB 00:00 (52/153): go-srpm-macros-3.2.0-6.fc39.noarch.rp 1.1 MB/s | 27 kB 00:00 (53/153): grep-3.11-5.fc40.i686.rpm 13 MB/s | 294 kB 00:00 (54/153): gzip-1.12-6.fc39.i686.rpm 7.2 MB/s | 158 kB 00:00 (55/153): info-7.0.3-3.fc39.i686.rpm 8.1 MB/s | 183 kB 00:00 (56/153): jansson-2.13.1-7.fc39.i686.rpm 2.2 MB/s | 46 kB 00:00 (57/153): kernel-srpm-macros-1.0-20.fc39.noarch 583 kB/s | 10 kB 00:00 (58/153): keyutils-libs-1.6.1-7.fc39.i686.rpm 1.6 MB/s | 32 kB 00:00 (59/153): libacl-2.3.1-8.fc39.i686.rpm 1.0 MB/s | 25 kB 00:00 (60/153): krb5-libs-1.21-3.fc39.i686.rpm 26 MB/s | 804 kB 00:00 (61/153): libarchive-3.7.1-1.fc39.i686.rpm 15 MB/s | 450 kB 00:00 (62/153): libattr-2.5.1-8.fc39.i686.rpm 865 kB/s | 18 kB 00:00 (63/153): libblkid-2.39.1-3.fc39.i686.rpm 5.2 MB/s | 127 kB 00:00 (64/153): libbrotli-1.0.9-13.fc39.i686.rpm 14 MB/s | 318 kB 00:00 (65/153): libcap-2.48-7.fc39.i686.rpm 3.4 MB/s | 69 kB 00:00 (66/153): libcap-ng-0.8.3-7.fc39.i686.rpm 1.6 MB/s | 33 kB 00:00 (67/153): libcom_err-1.47.0-2.fc39.i686.rpm 1.3 MB/s | 26 kB 00:00 (68/153): libcurl-8.2.1-2.fc40.i686.rpm 16 MB/s | 355 kB 00:00 (69/153): libeconf-0.4.0-6.fc39.i686.rpm 1.5 MB/s | 28 kB 00:00 (70/153): libdb-5.3.28-56.fc39.i686.rpm 24 MB/s | 818 kB 00:00 (71/153): libevent-2.1.12-9.fc39.i686.rpm 12 MB/s | 277 kB 00:00 (72/153): libfdisk-2.39.1-3.fc39.i686.rpm 8.5 MB/s | 176 kB 00:00 (73/153): libffi-3.4.4-4.fc39.i686.rpm 1.8 MB/s | 38 kB 00:00 (74/153): libgcc-13.2.1-1.fc39.i686.rpm 5.5 MB/s | 118 kB 00:00 (75/153): libgomp-13.2.1-1.fc39.i686.rpm 15 MB/s | 322 kB 00:00 (76/153): libidn2-2.3.4-3.fc39.i686.rpm 5.0 MB/s | 111 kB 00:00 (77/153): libmount-2.39.1-3.fc39.i686.rpm 7.2 MB/s | 161 kB 00:00 (78/153): libnghttp2-1.55.1-2.fc39.i686.rpm 3.8 MB/s | 81 kB 00:00 (79/153): libnsl2-2.0.0-6.fc39.i686.rpm 1.5 MB/s | 31 kB 00:00 (80/153): libpkgconf-1.9.5-2.fc39.i686.rpm 1.9 MB/s | 41 kB 00:00 (81/153): libpsl-0.21.2-4.fc39.i686.rpm 3.2 MB/s | 63 kB 00:00 (82/153): libpwquality-1.4.5-6.fc39.i686.rpm 5.3 MB/s | 109 kB 00:00 (83/153): libselinux-3.5-5.fc39.i686.rpm 4.1 MB/s | 92 kB 00:00 (84/153): libsemanage-3.5-4.fc39.i686.rpm 5.8 MB/s | 129 kB 00:00 (85/153): libsepol-3.5-2.fc39.i686.rpm 15 MB/s | 337 kB 00:00 (86/153): libsigsegv-2.14-5.fc39.i686.rpm 1.2 MB/s | 27 kB 00:00 (87/153): libsmartcols-2.39.1-3.fc39.i686.rpm 3.7 MB/s | 69 kB 00:00 (88/153): libssh-0.10.5-2.fc39.i686.rpm 11 MB/s | 226 kB 00:00 (89/153): libssh-config-0.10.5-2.fc39.noarch.rp 543 kB/s | 9.2 kB 00:00 (90/153): libtasn1-4.19.0-3.fc39.i686.rpm 3.6 MB/s | 75 kB 00:00 (91/153): libstdc++-13.2.1-1.fc39.i686.rpm 29 MB/s | 926 kB 00:00 (92/153): libtirpc-1.3.3-1.rc2.fc39.i686.rpm 4.4 MB/s | 101 kB 00:00 (93/153): libutempter-1.2.1-10.fc39.i686.rpm 1.2 MB/s | 27 kB 00:00 (94/153): libuuid-2.39.1-3.fc39.i686.rpm 1.4 MB/s | 29 kB 00:00 (95/153): libunistring-1.1-4.fc39.i686.rpm 18 MB/s | 551 kB 00:00 (96/153): libxcrypt-4.4.36-2.fc39.i686.rpm 6.0 MB/s | 123 kB 00:00 (97/153): libverto-0.3.2-6.fc39.i686.rpm 979 kB/s | 21 kB 00:00 (98/153): libxml2-2.10.4-3.fc39.i686.rpm 21 MB/s | 743 kB 00:00 (99/153): libzstd-1.5.5-4.fc39.i686.rpm 13 MB/s | 290 kB 00:00 (100/153): lua-libs-5.4.6-3.fc39.i686.rpm 6.6 MB/s | 149 kB 00:00 (101/153): lua-srpm-macros-1-9.fc39.noarch.rpm 502 kB/s | 8.6 kB 00:00 (102/153): lz4-libs-1.9.4-4.fc39.i686.rpm 3.4 MB/s | 70 kB 00:00 (103/153): mpfr-4.2.0-3.fc39.i686.rpm 13 MB/s | 380 kB 00:00 (104/153): ncurses-base-6.4-6.20230520.fc39.noa 3.5 MB/s | 63 kB 00:00 (105/153): ncurses-libs-6.4-6.20230520.fc39.i68 16 MB/s | 357 kB 00:00 (106/153): ocaml-srpm-macros-8-2.fc39.noarch.rp 771 kB/s | 14 kB 00:00 (107/153): openblas-srpm-macros-2-14.fc39.noarc 409 kB/s | 7.5 kB 00:00 (108/153): openldap-2.6.6-1.fc39.i686.rpm 12 MB/s | 273 kB 00:00 (109/153): p11-kit-0.25.0-2.fc39.i686.rpm 14 MB/s | 470 kB 00:00 (110/153): p11-kit-trust-0.25.0-2.fc39.i686.rpm 6.3 MB/s | 139 kB 00:00 (111/153): openssl-libs-3.1.1-1.fc39.i686.rpm 41 MB/s | 2.1 MB 00:00 (112/153): package-notes-srpm-macros-0.5-9.fc39 638 kB/s | 11 kB 00:00 (113/153): pam-1.5.3-2.fc39.i686.rpm 17 MB/s | 527 kB 00:00 (114/153): pam-libs-1.5.3-2.fc39.i686.rpm 3.0 MB/s | 60 kB 00:00 (115/153): patch-2.7.6-22.fc39.i686.rpm 6.0 MB/s | 138 kB 00:00 (116/153): pcre2-10.42-1.fc39.2.i686.rpm 10 MB/s | 231 kB 00:00 (117/153): pcre2-syntax-10.42-1.fc39.2.noarch.r 6.9 MB/s | 143 kB 00:00 (118/153): perl-srpm-macros-1-51.fc39.noarch.rp 403 kB/s | 8.0 kB 00:00 (119/153): pkgconf-m4-1.9.5-2.fc39.noarch.rpm 826 kB/s | 14 kB 00:00 (120/153): pkgconf-1.9.5-2.fc39.i686.rpm 2.1 MB/s | 43 kB 00:00 (121/153): pkgconf-pkg-config-1.9.5-2.fc39.i686 451 kB/s | 9.6 kB 00:00 (122/153): popt-1.19-3.fc39.i686.rpm 2.9 MB/s | 62 kB 00:00 (123/153): publicsuffix-list-dafsa-20230614-2.f 3.1 MB/s | 57 kB 00:00 (124/153): pyproject-srpm-macros-1.9.0-2.fc39.n 644 kB/s | 14 kB 00:00 (125/153): qt5-srpm-macros-5.15.10-2.fc39.noarc 496 kB/s | 8.3 kB 00:00 (126/153): python-srpm-macros-3.12-2.fc39.noarc 1.4 MB/s | 25 kB 00:00 (127/153): qt6-srpm-macros-6.5.2-2.fc39.noarch. 545 kB/s | 9.2 kB 00:00 (128/153): readline-8.2-4.fc39.i686.rpm 9.8 MB/s | 218 kB 00:00 (129/153): redhat-rpm-config-262-1.fc39.noarch. 2.9 MB/s | 77 kB 00:00 (130/153): rpm-4.18.92-1.fc39.i686.rpm 18 MB/s | 505 kB 00:00 (131/153): rpm-build-4.18.92-1.fc39.i686.rpm 3.6 MB/s | 71 kB 00:00 (132/153): rpm-build-libs-4.18.92-1.fc39.i686.r 3.6 MB/s | 102 kB 00:00 (133/153): rpm-libs-4.18.92-1.fc39.i686.rpm 15 MB/s | 340 kB 00:00 (134/153): rpm-sequoia-1.4.1-2.fc39.i686.rpm 29 MB/s | 945 kB 00:00 (135/153): rpmautospec-rpm-macros-0.3.5-4.fc39. 464 kB/s | 8.8 kB 00:00 (136/153): rust-srpm-macros-24-3.fc39.noarch.rp 485 kB/s | 12 kB 00:00 (137/153): setup-2.14.4-1.fc39.noarch.rpm 7.8 MB/s | 148 kB 00:00 (138/153): sed-4.8-14.fc39.i686.rpm 13 MB/s | 300 kB 00:00 (139/153): sqlite-libs-3.42.0-7.fc39.i686.rpm 22 MB/s | 718 kB 00:00 (140/153): shadow-utils-4.13-8.fc39.i686.rpm 27 MB/s | 1.2 MB 00:00 (141/153): systemd-libs-254.1-2.fc40.i686.rpm 19 MB/s | 728 kB 00:00 (142/153): tzdata-2023c-2.fc39.noarch.rpm 19 MB/s | 433 kB 00:00 (143/153): unzip-6.0-62.fc39.i686.rpm 6.6 MB/s | 180 kB 00:00 (144/153): tar-1.35-1.fc39.i686.rpm 22 MB/s | 865 kB 00:00 (145/153): util-linux-core-2.39.1-3.fc39.i686.r 21 MB/s | 491 kB 00:00 (146/153): which-2.21-40.fc39.i686.rpm 1.9 MB/s | 42 kB 00:00 (147/153): util-linux-2.39.1-3.fc39.i686.rpm 29 MB/s | 1.2 MB 00:00 (148/153): xxhash-libs-0.8.2-1.fc39.i686.rpm 2.4 MB/s | 49 kB 00:00 (149/153): xz-libs-5.4.4-1.fc39.i686.rpm 5.6 MB/s | 118 kB 00:00 (150/153): xz-5.4.4-1.fc39.i686.rpm 16 MB/s | 534 kB 00:00 (151/153): zip-3.0-38.fc39.i686.rpm 11 MB/s | 267 kB 00:00 (152/153): zlib-1.2.13-4.fc39.i686.rpm 4.4 MB/s | 93 kB 00:00 (153/153): zstd-1.5.5-4.fc39.i686.rpm 13 MB/s | 451 kB 00:00 -------------------------------------------------------------------------------- Total 37 MB/s | 53 MB 00:01 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Running scriptlet: filesystem-3.18-6.fc39.i686 1/1 Preparing : 1/1 Installing : crypto-policies-20230731-1.git5ed06e0.fc39.noarc 1/153 Running scriptlet: crypto-policies-20230731-1.git5ed06e0.fc39.noarc 1/153 Installing : tzdata-2023c-2.fc39.noarch 2/153 Installing : fedora-release-identity-basic-40-0.2.noarch 3/153 Installing : fedora-repos-rawhide-40-0.1.noarch 4/153 Installing : fedora-gpg-keys-40-0.1.noarch 5/153 Installing : fedora-repos-40-0.1.noarch 6/153 Installing : fedora-release-common-40-0.2.noarch 7/153 Installing : fedora-release-40-0.2.noarch 8/153 Installing : setup-2.14.4-1.fc39.noarch 9/153 warning: /etc/hosts created as /etc/hosts.rpmnew Running scriptlet: setup-2.14.4-1.fc39.noarch 9/153 Installing : filesystem-3.18-6.fc39.i686 10/153 Installing : basesystem-11-18.fc39.noarch 11/153 Installing : rust-srpm-macros-24-3.fc39.noarch 12/153 Installing : qt6-srpm-macros-6.5.2-2.fc39.noarch 13/153 Installing : qt5-srpm-macros-5.15.10-2.fc39.noarch 14/153 Installing : pyproject-srpm-macros-1.9.0-2.fc39.noarch 15/153 Installing : publicsuffix-list-dafsa-20230614-2.fc39.noarch 16/153 Installing : pkgconf-m4-1.9.5-2.fc39.noarch 17/153 Installing : perl-srpm-macros-1-51.fc39.noarch 18/153 Installing : pcre2-syntax-10.42-1.fc39.2.noarch 19/153 Installing : package-notes-srpm-macros-0.5-9.fc39.noarch 20/153 Installing : openblas-srpm-macros-2-14.fc39.noarch 21/153 Installing : ocaml-srpm-macros-8-2.fc39.noarch 22/153 Installing : ncurses-base-6.4-6.20230520.fc39.noarch 23/153 Installing : libssh-config-0.10.5-2.fc39.noarch 24/153 Installing : kernel-srpm-macros-1.0-20.fc39.noarch 25/153 Installing : gnat-srpm-macros-6-3.fc39.noarch 26/153 Installing : ghc-srpm-macros-1.6.1-2.fc39.noarch 27/153 Installing : fpc-srpm-macros-1.3-8.fc39.noarch 28/153 Installing : coreutils-common-9.3-2.fc39.i686 29/153 Installing : ansible-srpm-macros-1-11.fc39.noarch 30/153 Installing : libgcc-13.2.1-1.fc39.i686 31/153 Running scriptlet: libgcc-13.2.1-1.fc39.i686 31/153 Installing : glibc-gconv-extra-2.38-1.fc39.i686 32/153 Running scriptlet: glibc-gconv-extra-2.38-1.fc39.i686 32/153 Installing : glibc-minimal-langpack-2.38-1.fc39.i686 33/153 Installing : glibc-common-2.38-1.fc39.i686 34/153 Running scriptlet: glibc-2.38-1.fc39.i686 35/153 Installing : glibc-2.38-1.fc39.i686 35/153 Running scriptlet: glibc-2.38-1.fc39.i686 35/153 Installing : ncurses-libs-6.4-6.20230520.fc39.i686 36/153 Installing : bash-5.2.15-5.fc39.i686 37/153 Running scriptlet: bash-5.2.15-5.fc39.i686 37/153 Installing : zlib-1.2.13-4.fc39.i686 38/153 Installing : xz-libs-5.4.4-1.fc39.i686 39/153 Installing : bzip2-libs-1.0.8-16.fc39.i686 40/153 Installing : libstdc++-13.2.1-1.fc39.i686 41/153 Installing : libuuid-2.39.1-3.fc39.i686 42/153 Installing : libzstd-1.5.5-4.fc39.i686 43/153 Installing : elfutils-libelf-0.189-4.fc39.i686 44/153 Installing : popt-1.19-3.fc39.i686 45/153 Installing : libblkid-2.39.1-3.fc39.i686 46/153 Installing : readline-8.2-4.fc39.i686 47/153 Installing : gmp-1:6.2.1-5.fc39.i686 48/153 Installing : libattr-2.5.1-8.fc39.i686 49/153 Installing : libacl-2.3.1-8.fc39.i686 50/153 Installing : libcap-2.48-7.fc39.i686 51/153 Installing : libxcrypt-4.4.36-2.fc39.i686 52/153 Installing : lz4-libs-1.9.4-4.fc39.i686 53/153 Installing : systemd-libs-254.1-2.fc40.i686 54/153 Installing : mpfr-4.2.0-3.fc39.i686 55/153 Installing : dwz-0.15-3.fc39.i686 56/153 Installing : unzip-6.0-62.fc39.i686 57/153 Installing : file-libs-5.44-5.fc39.i686 58/153 Installing : file-5.44-5.fc39.i686 59/153 Installing : alternatives-1.25-1.fc39.i686 60/153 Installing : jansson-2.13.1-7.fc39.i686 61/153 Installing : libcap-ng-0.8.3-7.fc39.i686 62/153 Installing : audit-libs-3.1.2-1.fc39.i686 63/153 Installing : pam-libs-1.5.3-2.fc39.i686 64/153 Installing : libcom_err-1.47.0-2.fc39.i686 65/153 Installing : libsepol-3.5-2.fc39.i686 66/153 Installing : libsmartcols-2.39.1-3.fc39.i686 67/153 Installing : libunistring-1.1-4.fc39.i686 68/153 Installing : libidn2-2.3.4-3.fc39.i686 69/153 Installing : lua-libs-5.4.6-3.fc39.i686 70/153 Installing : pcre2-10.42-1.fc39.2.i686 71/153 Installing : elfutils-default-yama-scope-0.189-4.fc39.noarch 72/153 Running scriptlet: elfutils-default-yama-scope-0.189-4.fc39.noarch 72/153 Installing : libselinux-3.5-5.fc39.i686 73/153 Installing : sed-4.8-14.fc39.i686 74/153 Installing : grep-3.11-5.fc40.i686 75/153 Installing : findutils-1:4.9.0-5.fc39.i686 76/153 Installing : xz-5.4.4-1.fc39.i686 77/153 Installing : libmount-2.39.1-3.fc39.i686 78/153 Installing : util-linux-core-2.39.1-3.fc39.i686 79/153 Installing : libsemanage-3.5-4.fc39.i686 80/153 Installing : tar-2:1.35-1.fc39.i686 81/153 Installing : libpsl-0.21.2-4.fc39.i686 82/153 Installing : zip-3.0-38.fc39.i686 83/153 Installing : zstd-1.5.5-4.fc39.i686 84/153 Installing : libfdisk-2.39.1-3.fc39.i686 85/153 Installing : bzip2-1.0.8-16.fc39.i686 86/153 Installing : libxml2-2.10.4-3.fc39.i686 87/153 Installing : sqlite-libs-3.42.0-7.fc39.i686 88/153 Installing : ed-1.19-4.fc39.i686 89/153 Installing : patch-2.7.6-22.fc39.i686 90/153 Installing : cpio-2.14-4.fc39.i686 91/153 Installing : diffutils-3.10-3.fc39.i686 92/153 Installing : gdbm-libs-1:1.23-4.fc39.i686 93/153 Installing : cyrus-sasl-lib-2.1.28-11.fc39.i686 94/153 Installing : keyutils-libs-1.6.1-7.fc39.i686 95/153 Installing : libbrotli-1.0.9-13.fc39.i686 96/153 Installing : libdb-5.3.28-56.fc39.i686 97/153 Installing : libeconf-0.4.0-6.fc39.i686 98/153 Installing : shadow-utils-2:4.13-8.fc39.i686 99/153 Running scriptlet: libutempter-1.2.1-10.fc39.i686 100/153 Installing : libutempter-1.2.1-10.fc39.i686 100/153 Installing : libffi-3.4.4-4.fc39.i686 101/153 Installing : p11-kit-0.25.0-2.fc39.i686 102/153 Installing : libgomp-13.2.1-1.fc39.i686 103/153 Installing : libnghttp2-1.55.1-2.fc39.i686 104/153 Installing : libpkgconf-1.9.5-2.fc39.i686 105/153 Installing : pkgconf-1.9.5-2.fc39.i686 106/153 Installing : pkgconf-pkg-config-1.9.5-2.fc39.i686 107/153 Installing : libsigsegv-2.14-5.fc39.i686 108/153 Installing : gawk-5.2.2-2.fc39.i686 109/153 Installing : libtasn1-4.19.0-3.fc39.i686 110/153 Installing : p11-kit-trust-0.25.0-2.fc39.i686 111/153 Running scriptlet: p11-kit-trust-0.25.0-2.fc39.i686 111/153 Installing : openssl-libs-1:3.1.1-1.fc39.i686 112/153 Installing : coreutils-9.3-2.fc39.i686 113/153 Running scriptlet: ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch 114/153 Installing : ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch 114/153 Running scriptlet: ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch 114/153 Running scriptlet: authselect-libs-1.4.2-3.fc39.i686 115/153 Installing : authselect-libs-1.4.2-3.fc39.i686 115/153 Installing : gzip-1.12-6.fc39.i686 116/153 Installing : cracklib-2.9.11-2.fc39.i686 117/153 Installing : libpwquality-1.4.5-6.fc39.i686 118/153 Installing : authselect-1.4.2-3.fc39.i686 119/153 Installing : libarchive-3.7.1-1.fc39.i686 120/153 Installing : libevent-2.1.12-9.fc39.i686 121/153 Installing : openldap-2.6.6-1.fc39.i686 122/153 Installing : rpm-sequoia-1.4.1-2.fc39.i686 123/153 Installing : rpm-libs-4.18.92-1.fc39.i686 124/153 Installing : libverto-0.3.2-6.fc39.i686 125/153 Installing : krb5-libs-1.21-3.fc39.i686 126/153 Installing : libtirpc-1.3.3-1.rc2.fc39.i686 127/153 Installing : libnsl2-2.0.0-6.fc39.i686 128/153 Installing : pam-1.5.3-2.fc39.i686 129/153 Installing : libssh-0.10.5-2.fc39.i686 130/153 Installing : libcurl-8.2.1-2.fc40.i686 131/153 Installing : elfutils-libs-0.189-4.fc39.i686 132/153 Installing : elfutils-debuginfod-client-0.189-4.fc39.i686 133/153 Installing : binutils-gold-2.40-13.fc39.i686 134/153 Running scriptlet: binutils-gold-2.40-13.fc39.i686 134/153 Installing : binutils-2.40-13.fc39.i686 135/153 Running scriptlet: binutils-2.40-13.fc39.i686 135/153 Installing : elfutils-0.189-4.fc39.i686 136/153 Installing : rpm-build-libs-4.18.92-1.fc39.i686 137/153 Installing : curl-8.2.1-2.fc40.i686 138/153 Running scriptlet: rpm-4.18.92-1.fc39.i686 139/153 Installing : rpm-4.18.92-1.fc39.i686 139/153 Installing : efi-srpm-macros-5-9.fc39.noarch 140/153 Installing : lua-srpm-macros-1-9.fc39.noarch 141/153 Installing : rpmautospec-rpm-macros-0.3.5-4.fc39.noarch 142/153 Installing : fonts-srpm-macros-1:2.0.5-12.fc39.noarch 143/153 Installing : go-srpm-macros-3.2.0-6.fc39.noarch 144/153 Installing : python-srpm-macros-3.12-2.fc39.noarch 145/153 Installing : redhat-rpm-config-262-1.fc39.noarch 146/153 Installing : xxhash-libs-0.8.2-1.fc39.i686 147/153 Installing : gdb-minimal-13.2-7.fc40.i686 148/153 Installing : debugedit-5.0-10.fc39.i686 149/153 Installing : rpm-build-4.18.92-1.fc39.i686 150/153 Installing : util-linux-2.39.1-3.fc39.i686 151/153 Installing : which-2.21-40.fc39.i686 152/153 Installing : info-7.0.3-3.fc39.i686 153/153 Running scriptlet: filesystem-3.18-6.fc39.i686 153/153 Running scriptlet: ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch 153/153 Running scriptlet: authselect-libs-1.4.2-3.fc39.i686 153/153 Running scriptlet: rpm-4.18.92-1.fc39.i686 153/153 Running scriptlet: info-7.0.3-3.fc39.i686 153/153 Verifying : gdb-minimal-13.2-7.fc40.i686 1/153 Verifying : alternatives-1.25-1.fc39.i686 2/153 Verifying : ansible-srpm-macros-1-11.fc39.noarch 3/153 Verifying : audit-libs-3.1.2-1.fc39.i686 4/153 Verifying : authselect-1.4.2-3.fc39.i686 5/153 Verifying : authselect-libs-1.4.2-3.fc39.i686 6/153 Verifying : basesystem-11-18.fc39.noarch 7/153 Verifying : bash-5.2.15-5.fc39.i686 8/153 Verifying : binutils-2.40-13.fc39.i686 9/153 Verifying : binutils-gold-2.40-13.fc39.i686 10/153 Verifying : bzip2-1.0.8-16.fc39.i686 11/153 Verifying : bzip2-libs-1.0.8-16.fc39.i686 12/153 Verifying : ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch 13/153 Verifying : coreutils-9.3-2.fc39.i686 14/153 Verifying : coreutils-common-9.3-2.fc39.i686 15/153 Verifying : cpio-2.14-4.fc39.i686 16/153 Verifying : cracklib-2.9.11-2.fc39.i686 17/153 Verifying : crypto-policies-20230731-1.git5ed06e0.fc39.noarc 18/153 Verifying : curl-8.2.1-2.fc40.i686 19/153 Verifying : cyrus-sasl-lib-2.1.28-11.fc39.i686 20/153 Verifying : debugedit-5.0-10.fc39.i686 21/153 Verifying : diffutils-3.10-3.fc39.i686 22/153 Verifying : dwz-0.15-3.fc39.i686 23/153 Verifying : ed-1.19-4.fc39.i686 24/153 Verifying : efi-srpm-macros-5-9.fc39.noarch 25/153 Verifying : elfutils-0.189-4.fc39.i686 26/153 Verifying : elfutils-debuginfod-client-0.189-4.fc39.i686 27/153 Verifying : elfutils-default-yama-scope-0.189-4.fc39.noarch 28/153 Verifying : elfutils-libelf-0.189-4.fc39.i686 29/153 Verifying : elfutils-libs-0.189-4.fc39.i686 30/153 Verifying : fedora-gpg-keys-40-0.1.noarch 31/153 Verifying : fedora-release-40-0.2.noarch 32/153 Verifying : fedora-release-common-40-0.2.noarch 33/153 Verifying : fedora-release-identity-basic-40-0.2.noarch 34/153 Verifying : fedora-repos-40-0.1.noarch 35/153 Verifying : fedora-repos-rawhide-40-0.1.noarch 36/153 Verifying : file-5.44-5.fc39.i686 37/153 Verifying : file-libs-5.44-5.fc39.i686 38/153 Verifying : filesystem-3.18-6.fc39.i686 39/153 Verifying : findutils-1:4.9.0-5.fc39.i686 40/153 Verifying : fonts-srpm-macros-1:2.0.5-12.fc39.noarch 41/153 Verifying : fpc-srpm-macros-1.3-8.fc39.noarch 42/153 Verifying : gawk-5.2.2-2.fc39.i686 43/153 Verifying : gdbm-libs-1:1.23-4.fc39.i686 44/153 Verifying : ghc-srpm-macros-1.6.1-2.fc39.noarch 45/153 Verifying : glibc-2.38-1.fc39.i686 46/153 Verifying : glibc-common-2.38-1.fc39.i686 47/153 Verifying : glibc-gconv-extra-2.38-1.fc39.i686 48/153 Verifying : glibc-minimal-langpack-2.38-1.fc39.i686 49/153 Verifying : gmp-1:6.2.1-5.fc39.i686 50/153 Verifying : gnat-srpm-macros-6-3.fc39.noarch 51/153 Verifying : go-srpm-macros-3.2.0-6.fc39.noarch 52/153 Verifying : grep-3.11-5.fc40.i686 53/153 Verifying : gzip-1.12-6.fc39.i686 54/153 Verifying : info-7.0.3-3.fc39.i686 55/153 Verifying : jansson-2.13.1-7.fc39.i686 56/153 Verifying : kernel-srpm-macros-1.0-20.fc39.noarch 57/153 Verifying : keyutils-libs-1.6.1-7.fc39.i686 58/153 Verifying : krb5-libs-1.21-3.fc39.i686 59/153 Verifying : libacl-2.3.1-8.fc39.i686 60/153 Verifying : libarchive-3.7.1-1.fc39.i686 61/153 Verifying : libattr-2.5.1-8.fc39.i686 62/153 Verifying : libblkid-2.39.1-3.fc39.i686 63/153 Verifying : libbrotli-1.0.9-13.fc39.i686 64/153 Verifying : libcap-2.48-7.fc39.i686 65/153 Verifying : libcap-ng-0.8.3-7.fc39.i686 66/153 Verifying : libcom_err-1.47.0-2.fc39.i686 67/153 Verifying : libcurl-8.2.1-2.fc40.i686 68/153 Verifying : libdb-5.3.28-56.fc39.i686 69/153 Verifying : libeconf-0.4.0-6.fc39.i686 70/153 Verifying : libevent-2.1.12-9.fc39.i686 71/153 Verifying : libfdisk-2.39.1-3.fc39.i686 72/153 Verifying : libffi-3.4.4-4.fc39.i686 73/153 Verifying : libgcc-13.2.1-1.fc39.i686 74/153 Verifying : libgomp-13.2.1-1.fc39.i686 75/153 Verifying : libidn2-2.3.4-3.fc39.i686 76/153 Verifying : libmount-2.39.1-3.fc39.i686 77/153 Verifying : libnghttp2-1.55.1-2.fc39.i686 78/153 Verifying : libnsl2-2.0.0-6.fc39.i686 79/153 Verifying : libpkgconf-1.9.5-2.fc39.i686 80/153 Verifying : libpsl-0.21.2-4.fc39.i686 81/153 Verifying : libpwquality-1.4.5-6.fc39.i686 82/153 Verifying : libselinux-3.5-5.fc39.i686 83/153 Verifying : libsemanage-3.5-4.fc39.i686 84/153 Verifying : libsepol-3.5-2.fc39.i686 85/153 Verifying : libsigsegv-2.14-5.fc39.i686 86/153 Verifying : libsmartcols-2.39.1-3.fc39.i686 87/153 Verifying : libssh-0.10.5-2.fc39.i686 88/153 Verifying : libssh-config-0.10.5-2.fc39.noarch 89/153 Verifying : libstdc++-13.2.1-1.fc39.i686 90/153 Verifying : libtasn1-4.19.0-3.fc39.i686 91/153 Verifying : libtirpc-1.3.3-1.rc2.fc39.i686 92/153 Verifying : libunistring-1.1-4.fc39.i686 93/153 Verifying : libutempter-1.2.1-10.fc39.i686 94/153 Verifying : libuuid-2.39.1-3.fc39.i686 95/153 Verifying : libverto-0.3.2-6.fc39.i686 96/153 Verifying : libxcrypt-4.4.36-2.fc39.i686 97/153 Verifying : libxml2-2.10.4-3.fc39.i686 98/153 Verifying : libzstd-1.5.5-4.fc39.i686 99/153 Verifying : lua-libs-5.4.6-3.fc39.i686 100/153 Verifying : lua-srpm-macros-1-9.fc39.noarch 101/153 Verifying : lz4-libs-1.9.4-4.fc39.i686 102/153 Verifying : mpfr-4.2.0-3.fc39.i686 103/153 Verifying : ncurses-base-6.4-6.20230520.fc39.noarch 104/153 Verifying : ncurses-libs-6.4-6.20230520.fc39.i686 105/153 Verifying : ocaml-srpm-macros-8-2.fc39.noarch 106/153 Verifying : openblas-srpm-macros-2-14.fc39.noarch 107/153 Verifying : openldap-2.6.6-1.fc39.i686 108/153 Verifying : openssl-libs-1:3.1.1-1.fc39.i686 109/153 Verifying : p11-kit-0.25.0-2.fc39.i686 110/153 Verifying : p11-kit-trust-0.25.0-2.fc39.i686 111/153 Verifying : package-notes-srpm-macros-0.5-9.fc39.noarch 112/153 Verifying : pam-1.5.3-2.fc39.i686 113/153 Verifying : pam-libs-1.5.3-2.fc39.i686 114/153 Verifying : patch-2.7.6-22.fc39.i686 115/153 Verifying : pcre2-10.42-1.fc39.2.i686 116/153 Verifying : pcre2-syntax-10.42-1.fc39.2.noarch 117/153 Verifying : perl-srpm-macros-1-51.fc39.noarch 118/153 Verifying : pkgconf-1.9.5-2.fc39.i686 119/153 Verifying : pkgconf-m4-1.9.5-2.fc39.noarch 120/153 Verifying : pkgconf-pkg-config-1.9.5-2.fc39.i686 121/153 Verifying : popt-1.19-3.fc39.i686 122/153 Verifying : publicsuffix-list-dafsa-20230614-2.fc39.noarch 123/153 Verifying : pyproject-srpm-macros-1.9.0-2.fc39.noarch 124/153 Verifying : python-srpm-macros-3.12-2.fc39.noarch 125/153 Verifying : qt5-srpm-macros-5.15.10-2.fc39.noarch 126/153 Verifying : qt6-srpm-macros-6.5.2-2.fc39.noarch 127/153 Verifying : readline-8.2-4.fc39.i686 128/153 Verifying : redhat-rpm-config-262-1.fc39.noarch 129/153 Verifying : rpm-4.18.92-1.fc39.i686 130/153 Verifying : rpm-build-4.18.92-1.fc39.i686 131/153 Verifying : rpm-build-libs-4.18.92-1.fc39.i686 132/153 Verifying : rpm-libs-4.18.92-1.fc39.i686 133/153 Verifying : rpm-sequoia-1.4.1-2.fc39.i686 134/153 Verifying : rpmautospec-rpm-macros-0.3.5-4.fc39.noarch 135/153 Verifying : rust-srpm-macros-24-3.fc39.noarch 136/153 Verifying : sed-4.8-14.fc39.i686 137/153 Verifying : setup-2.14.4-1.fc39.noarch 138/153 Verifying : shadow-utils-2:4.13-8.fc39.i686 139/153 Verifying : sqlite-libs-3.42.0-7.fc39.i686 140/153 Verifying : systemd-libs-254.1-2.fc40.i686 141/153 Verifying : tar-2:1.35-1.fc39.i686 142/153 Verifying : tzdata-2023c-2.fc39.noarch 143/153 Verifying : unzip-6.0-62.fc39.i686 144/153 Verifying : util-linux-2.39.1-3.fc39.i686 145/153 Verifying : util-linux-core-2.39.1-3.fc39.i686 146/153 Verifying : which-2.21-40.fc39.i686 147/153 Verifying : xxhash-libs-0.8.2-1.fc39.i686 148/153 Verifying : xz-5.4.4-1.fc39.i686 149/153 Verifying : xz-libs-5.4.4-1.fc39.i686 150/153 Verifying : zip-3.0-38.fc39.i686 151/153 Verifying : zlib-1.2.13-4.fc39.i686 152/153 Verifying : zstd-1.5.5-4.fc39.i686 153/153 Installed: alternatives-1.25-1.fc39.i686 ansible-srpm-macros-1-11.fc39.noarch audit-libs-3.1.2-1.fc39.i686 authselect-1.4.2-3.fc39.i686 authselect-libs-1.4.2-3.fc39.i686 basesystem-11-18.fc39.noarch bash-5.2.15-5.fc39.i686 binutils-2.40-13.fc39.i686 binutils-gold-2.40-13.fc39.i686 bzip2-1.0.8-16.fc39.i686 bzip2-libs-1.0.8-16.fc39.i686 ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch coreutils-9.3-2.fc39.i686 coreutils-common-9.3-2.fc39.i686 cpio-2.14-4.fc39.i686 cracklib-2.9.11-2.fc39.i686 crypto-policies-20230731-1.git5ed06e0.fc39.noarch curl-8.2.1-2.fc40.i686 cyrus-sasl-lib-2.1.28-11.fc39.i686 debugedit-5.0-10.fc39.i686 diffutils-3.10-3.fc39.i686 dwz-0.15-3.fc39.i686 ed-1.19-4.fc39.i686 efi-srpm-macros-5-9.fc39.noarch elfutils-0.189-4.fc39.i686 elfutils-debuginfod-client-0.189-4.fc39.i686 elfutils-default-yama-scope-0.189-4.fc39.noarch elfutils-libelf-0.189-4.fc39.i686 elfutils-libs-0.189-4.fc39.i686 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-5.44-5.fc39.i686 file-libs-5.44-5.fc39.i686 filesystem-3.18-6.fc39.i686 findutils-1:4.9.0-5.fc39.i686 fonts-srpm-macros-1:2.0.5-12.fc39.noarch fpc-srpm-macros-1.3-8.fc39.noarch gawk-5.2.2-2.fc39.i686 gdb-minimal-13.2-7.fc40.i686 gdbm-libs-1:1.23-4.fc39.i686 ghc-srpm-macros-1.6.1-2.fc39.noarch glibc-2.38-1.fc39.i686 glibc-common-2.38-1.fc39.i686 glibc-gconv-extra-2.38-1.fc39.i686 glibc-minimal-langpack-2.38-1.fc39.i686 gmp-1:6.2.1-5.fc39.i686 gnat-srpm-macros-6-3.fc39.noarch go-srpm-macros-3.2.0-6.fc39.noarch grep-3.11-5.fc40.i686 gzip-1.12-6.fc39.i686 info-7.0.3-3.fc39.i686 jansson-2.13.1-7.fc39.i686 kernel-srpm-macros-1.0-20.fc39.noarch keyutils-libs-1.6.1-7.fc39.i686 krb5-libs-1.21-3.fc39.i686 libacl-2.3.1-8.fc39.i686 libarchive-3.7.1-1.fc39.i686 libattr-2.5.1-8.fc39.i686 libblkid-2.39.1-3.fc39.i686 libbrotli-1.0.9-13.fc39.i686 libcap-2.48-7.fc39.i686 libcap-ng-0.8.3-7.fc39.i686 libcom_err-1.47.0-2.fc39.i686 libcurl-8.2.1-2.fc40.i686 libdb-5.3.28-56.fc39.i686 libeconf-0.4.0-6.fc39.i686 libevent-2.1.12-9.fc39.i686 libfdisk-2.39.1-3.fc39.i686 libffi-3.4.4-4.fc39.i686 libgcc-13.2.1-1.fc39.i686 libgomp-13.2.1-1.fc39.i686 libidn2-2.3.4-3.fc39.i686 libmount-2.39.1-3.fc39.i686 libnghttp2-1.55.1-2.fc39.i686 libnsl2-2.0.0-6.fc39.i686 libpkgconf-1.9.5-2.fc39.i686 libpsl-0.21.2-4.fc39.i686 libpwquality-1.4.5-6.fc39.i686 libselinux-3.5-5.fc39.i686 libsemanage-3.5-4.fc39.i686 libsepol-3.5-2.fc39.i686 libsigsegv-2.14-5.fc39.i686 libsmartcols-2.39.1-3.fc39.i686 libssh-0.10.5-2.fc39.i686 libssh-config-0.10.5-2.fc39.noarch libstdc++-13.2.1-1.fc39.i686 libtasn1-4.19.0-3.fc39.i686 libtirpc-1.3.3-1.rc2.fc39.i686 libunistring-1.1-4.fc39.i686 libutempter-1.2.1-10.fc39.i686 libuuid-2.39.1-3.fc39.i686 libverto-0.3.2-6.fc39.i686 libxcrypt-4.4.36-2.fc39.i686 libxml2-2.10.4-3.fc39.i686 libzstd-1.5.5-4.fc39.i686 lua-libs-5.4.6-3.fc39.i686 lua-srpm-macros-1-9.fc39.noarch lz4-libs-1.9.4-4.fc39.i686 mpfr-4.2.0-3.fc39.i686 ncurses-base-6.4-6.20230520.fc39.noarch ncurses-libs-6.4-6.20230520.fc39.i686 ocaml-srpm-macros-8-2.fc39.noarch openblas-srpm-macros-2-14.fc39.noarch openldap-2.6.6-1.fc39.i686 openssl-libs-1:3.1.1-1.fc39.i686 p11-kit-0.25.0-2.fc39.i686 p11-kit-trust-0.25.0-2.fc39.i686 package-notes-srpm-macros-0.5-9.fc39.noarch pam-1.5.3-2.fc39.i686 pam-libs-1.5.3-2.fc39.i686 patch-2.7.6-22.fc39.i686 pcre2-10.42-1.fc39.2.i686 pcre2-syntax-10.42-1.fc39.2.noarch perl-srpm-macros-1-51.fc39.noarch pkgconf-1.9.5-2.fc39.i686 pkgconf-m4-1.9.5-2.fc39.noarch pkgconf-pkg-config-1.9.5-2.fc39.i686 popt-1.19-3.fc39.i686 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.i686 redhat-rpm-config-262-1.fc39.noarch rpm-4.18.92-1.fc39.i686 rpm-build-4.18.92-1.fc39.i686 rpm-build-libs-4.18.92-1.fc39.i686 rpm-libs-4.18.92-1.fc39.i686 rpm-sequoia-1.4.1-2.fc39.i686 rpmautospec-rpm-macros-0.3.5-4.fc39.noarch rust-srpm-macros-24-3.fc39.noarch sed-4.8-14.fc39.i686 setup-2.14.4-1.fc39.noarch shadow-utils-2:4.13-8.fc39.i686 sqlite-libs-3.42.0-7.fc39.i686 systemd-libs-254.1-2.fc40.i686 tar-2:1.35-1.fc39.i686 tzdata-2023c-2.fc39.noarch unzip-6.0-62.fc39.i686 util-linux-2.39.1-3.fc39.i686 util-linux-core-2.39.1-3.fc39.i686 which-2.21-40.fc39.i686 xxhash-libs-0.8.2-1.fc39.i686 xz-5.4.4-1.fc39.i686 xz-libs-5.4.4-1.fc39.i686 zip-3.0-38.fc39.i686 zlib-1.2.13-4.fc39.i686 zstd-1.5.5-4.fc39.i686 Complete! Finish: installing minimal buildroot with dnf Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: rpm-4.18.92-1.fc39.i686 libunistring-1.1-4.fc39.i686 libdb-5.3.28-56.fc39.i686 libnghttp2-1.55.1-2.fc39.i686 libuuid-2.39.1-3.fc39.i686 authselect-libs-1.4.2-3.fc39.i686 libarchive-3.7.1-1.fc39.i686 package-notes-srpm-macros-0.5-9.fc39.noarch libpkgconf-1.9.5-2.fc39.i686 lua-libs-5.4.6-3.fc39.i686 libstdc++-13.2.1-1.fc39.i686 kernel-srpm-macros-1.0-20.fc39.noarch libfdisk-2.39.1-3.fc39.i686 rust-srpm-macros-24-3.fc39.noarch ghc-srpm-macros-1.6.1-2.fc39.noarch gawk-5.2.2-2.fc39.i686 ansible-srpm-macros-1-11.fc39.noarch coreutils-common-9.3-2.fc39.i686 libblkid-2.39.1-3.fc39.i686 libeconf-0.4.0-6.fc39.i686 file-5.44-5.fc39.i686 xz-5.4.4-1.fc39.i686 pkgconf-1.9.5-2.fc39.i686 zip-3.0-38.fc39.i686 popt-1.19-3.fc39.i686 coreutils-9.3-2.fc39.i686 gnat-srpm-macros-6-3.fc39.noarch jansson-2.13.1-7.fc39.i686 grep-3.11-5.fc40.i686 basesystem-11-18.fc39.noarch bash-5.2.15-5.fc39.i686 fpc-srpm-macros-1.3-8.fc39.noarch dwz-0.15-3.fc39.i686 unzip-6.0-62.fc39.i686 filesystem-3.18-6.fc39.i686 p11-kit-0.25.0-2.fc39.i686 libattr-2.5.1-8.fc39.i686 pam-1.5.3-2.fc39.i686 libsepol-3.5-2.fc39.i686 util-linux-2.39.1-3.fc39.i686 libxml2-2.10.4-3.fc39.i686 libbrotli-1.0.9-13.fc39.i686 libutempter-1.2.1-10.fc39.i686 qt6-srpm-macros-6.5.2-2.fc39.noarch rpm-build-4.18.92-1.fc39.i686 pcre2-syntax-10.42-1.fc39.2.noarch fedora-release-common-40-0.2.noarch libcom_err-1.47.0-2.fc39.i686 ca-certificates-2023.2.60_v7.0.306-2.fc39.noarch libgomp-13.2.1-1.fc39.i686 setup-2.14.4-1.fc39.noarch lz4-libs-1.9.4-4.fc39.i686 fedora-release-40-0.2.noarch info-7.0.3-3.fc39.i686 pkgconf-m4-1.9.5-2.fc39.noarch libacl-2.3.1-8.fc39.i686 xxhash-libs-0.8.2-1.fc39.i686 alternatives-1.25-1.fc39.i686 patch-2.7.6-22.fc39.i686 cracklib-2.9.11-2.fc39.i686 elfutils-0.189-4.fc39.i686 pyproject-srpm-macros-1.9.0-2.fc39.noarch fedora-release-identity-basic-40-0.2.noarch ncurses-libs-6.4-6.20230520.fc39.i686 elfutils-libelf-0.189-4.fc39.i686 libidn2-2.3.4-3.fc39.i686 perl-srpm-macros-1-51.fc39.noarch curl-8.2.1-2.fc40.i686 libssh-config-0.10.5-2.fc39.noarch findutils-4.9.0-5.fc39.i686 libffi-3.4.4-4.fc39.i686 openldap-2.6.6-1.fc39.i686 debugedit-5.0-10.fc39.i686 libpwquality-1.4.5-6.fc39.i686 libcurl-8.2.1-2.fc40.i686 gzip-1.12-6.fc39.i686 bzip2-1.0.8-16.fc39.i686 libssh-0.10.5-2.fc39.i686 rpm-sequoia-1.4.1-2.fc39.i686 mpfr-4.2.0-3.fc39.i686 bzip2-libs-1.0.8-16.fc39.i686 cyrus-sasl-lib-2.1.28-11.fc39.i686 libverto-0.3.2-6.fc39.i686 qt5-srpm-macros-5.15.10-2.fc39.noarch libzstd-1.5.5-4.fc39.i686 pkgconf-pkg-config-1.9.5-2.fc39.i686 systemd-libs-254.1-2.fc40.i686 crypto-policies-20230731-1.git5ed06e0.fc39.noarch glibc-2.38-1.fc39.i686 tar-1.35-1.fc39.i686 authselect-1.4.2-3.fc39.i686 file-libs-5.44-5.fc39.i686 elfutils-debuginfod-client-0.189-4.fc39.i686 keyutils-libs-1.6.1-7.fc39.i686 rpm-build-libs-4.18.92-1.fc39.i686 redhat-rpm-config-262-1.fc39.noarch xz-libs-5.4.4-1.fc39.i686 elfutils-default-yama-scope-0.189-4.fc39.noarch zstd-1.5.5-4.fc39.i686 sed-4.8-14.fc39.i686 ed-1.19-4.fc39.i686 zlib-1.2.13-4.fc39.i686 libsemanage-3.5-4.fc39.i686 libsigsegv-2.14-5.fc39.i686 libcap-ng-0.8.3-7.fc39.i686 lua-srpm-macros-1-9.fc39.noarch gmp-6.2.1-5.fc39.i686 rpmautospec-rpm-macros-0.3.5-4.fc39.noarch ncurses-base-6.4-6.20230520.fc39.noarch libmount-2.39.1-3.fc39.i686 libxcrypt-4.4.36-2.fc39.i686 p11-kit-trust-0.25.0-2.fc39.i686 libtirpc-1.3.3-1.rc2.fc39.i686 openssl-libs-3.1.1-1.fc39.i686 sqlite-libs-3.42.0-7.fc39.i686 libtasn1-4.19.0-3.fc39.i686 glibc-common-2.38-1.fc39.i686 which-2.21-40.fc39.i686 efi-srpm-macros-5-9.fc39.noarch gdbm-libs-1.23-4.fc39.i686 fedora-repos-rawhide-40-0.1.noarch readline-8.2-4.fc39.i686 openblas-srpm-macros-2-14.fc39.noarch elfutils-libs-0.189-4.fc39.i686 fedora-gpg-keys-40-0.1.noarch binutils-2.40-13.fc39.i686 go-srpm-macros-3.2.0-6.fc39.noarch krb5-libs-1.21-3.fc39.i686 ocaml-srpm-macros-8-2.fc39.noarch libsmartcols-2.39.1-3.fc39.i686 rpm-libs-4.18.92-1.fc39.i686 publicsuffix-list-dafsa-20230614-2.fc39.noarch binutils-gold-2.40-13.fc39.i686 python-srpm-macros-3.12-2.fc39.noarch pcre2-10.42-1.fc39.2.i686 libgcc-13.2.1-1.fc39.i686 tzdata-2023c-2.fc39.noarch shadow-utils-4.13-8.fc39.i686 libnsl2-2.0.0-6.fc39.i686 libpsl-0.21.2-4.fc39.i686 fonts-srpm-macros-2.0.5-12.fc39.noarch libevent-2.1.12-9.fc39.i686 fedora-repos-40-0.1.noarch gdb-minimal-13.2-7.fc40.i686 glibc-minimal-langpack-2.38-1.fc39.i686 pam-libs-1.5.3-2.fc39.i686 glibc-gconv-extra-2.38-1.fc39.i686 libselinux-3.5-5.fc39.i686 libcap-2.48-7.fc39.i686 util-linux-core-2.39.1-3.fc39.i686 cpio-2.14-4.fc39.i686 diffutils-3.10-3.fc39.i686 audit-libs-3.1.2-1.fc39.i686 Start: buildsrpm Start: rpmbuild -bs Building target platforms: i686 Building for target i686 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-i686-1692035958.155212/root/var/log/dnf.rpm.log /var/lib/mock/fedora-39-i686-1692035958.155212/root/var/log/dnf.librepo.log /var/lib/mock/fedora-39-i686-1692035958.155212/root/var/log/dnf.log Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-x2juhrwq/xtb/xtb.spec) Config(child) 1 minutes 45 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 1692035958.155212 -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-i686) 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-i686-bootstrap-1692035958.155212/root. INFO: reusing tmpfs at /var/lib/mock/fedora-39-i686-bootstrap-1692035958.155212/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-i686-1692035958.155212/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 5.6 kB/s | 1.5 kB 00:00 Additional repo http_kojipkgs_fedoraproject_org 66 kB/s | 3.8 kB 00:00 local 101 kB/s | 3.8 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: i686 Building for target i686 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 24 kB/s | 1.5 kB 00:00 Additional repo http_kojipkgs_fedoraproject_org 68 kB/s | 3.8 kB 00:00 local 87 kB/s | 3.8 kB 00:00 Dependencies resolved. ================================================================================================================================= Package Arch Version Repository Size ================================================================================================================================= Installing: flexiblas-devel i686 3.3.1-5.fc39 copr_base 103 k gcc-gfortran i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 12 M hostname i686 3.23-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 28 k mctc-lib-devel i686 0.3.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 171 k meson noarch 1.2.1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.9 M ninja-build i686 1.11.1-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 183 k rubygem-asciidoctor noarch 2.0.20-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 249 k test-drive-devel i686 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 i686 12.23-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 961 k cmake-filesystem i686 3.27.2-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18 k cpp i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 11 M emacs-filesystem noarch 1:29.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.4 k expat i686 2.5.0-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 114 k flexiblas i686 3.3.1-5.fc39 copr_base 33 k flexiblas-netlib i686 3.3.1-5.fc39 copr_base 3.1 M flexiblas-openblas-openmp i686 3.3.1-5.fc39 copr_base 18 k gc i686 8.2.2-4.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 113 k gcc i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 34 M gcc-plugin-annobin i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 47 k glibc-devel i686 2.38-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 76 k glibc-headers-x86 noarch 2.38-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 490 k guile22 i686 2.2.7-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.5 M json-fortran i686 8.3.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 99 k json-fortran-devel i686 8.3.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 90 k kernel-headers i686 6.5.0-0.rc6.git0.1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 M libasan i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 506 k libatomic i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 32 k libb2 i686 0.98.1-9.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 28 k libgfortran i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 838 k libmpc i686 1.3.1-3.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 77 k libquadmath i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 241 k libquadmath-devel i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 36 k libtool-ltdl i686 2.4.7-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 38 k libubsan i686 13.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 234 k libxcrypt-devel i686 4.4.36-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30 k libyaml i686 0.2.5-12.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 62 k make i686 1:4.4.1-2.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 589 k mctc-lib i686 0.3.0-6.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 115 k mpdecimal i686 2.5.1-7.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 91 k openblas i686 0.3.23-1.fc39 copr_base 37 k openblas-openmp i686 0.3.23-1.fc39 copr_base 3.9 M python-pip-wheel noarch 23.2.1-1.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.5 M python3 i686 3.12.0~rc1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26 k python3-libs i686 3.12.0~rc1-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.9 M python3-setuptools noarch 67.7.2-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 M ruby i686 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 i686 3.2.2-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 3.4 M rubygem-io-console i686 0.6.0-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 26 k rubygem-psych i686 5.0.1-181.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 52 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 i686 0.4.0-5.fc39 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40 k vim-filesystem noarch 2:9.0.1712-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 18 k Transaction Summary ================================================================================================================================= Install 55 Packages Total download size: 96 M Installed size: 327 M Downloading Packages: (1/55): flexiblas-3.3.1-5.fc39.i686.rpm 105 kB/s | 33 kB 00:00 (2/55): flexiblas-openblas-openmp-3.3.1-5.fc39. 1.1 MB/s | 18 kB 00:00 (3/55): flexiblas-devel-3.3.1-5.fc39.i686.rpm 308 kB/s | 103 kB 00:00 (4/55): openblas-0.3.23-1.fc39.i686.rpm 2.2 MB/s | 37 kB 00:00 (5/55): annobin-docs-12.23-1.fc39.noarch.rpm 1.2 MB/s | 96 kB 00:00 (6/55): annobin-plugin-gcc-12.23-1.fc39.i686.rp 19 MB/s | 961 kB 00:00 (7/55): cmake-filesystem-3.27.2-1.fc40.i686.rpm 849 kB/s | 18 kB 00:00 (8/55): flexiblas-netlib-3.3.1-5.fc39.i686.rpm 5.6 MB/s | 3.1 MB 00:00 (9/55): emacs-filesystem-29.1-1.fc39.noarch.rpm 111 kB/s | 8.4 kB 00:00 (10/55): cpp-13.2.1-1.fc39.i686.rpm 66 MB/s | 11 MB 00:00 (11/55): gc-8.2.2-4.fc39.i686.rpm 3.6 MB/s | 113 kB 00:00 (12/55): expat-2.5.0-3.fc39.i686.rpm 1.7 MB/s | 114 kB 00:00 (13/55): openblas-openmp-0.3.23-1.fc39.i686.rpm 6.1 MB/s | 3.9 MB 00:00 (14/55): gcc-plugin-annobin-13.2.1-1.fc39.i686. 640 kB/s | 47 kB 00:00 (15/55): glibc-devel-2.38-1.fc39.i686.rpm 1.6 MB/s | 76 kB 00:00 (16/55): glibc-headers-x86-2.38-1.fc39.noarch.r 8.6 MB/s | 490 kB 00:00 (17/55): gcc-gfortran-13.2.1-1.fc39.i686.rpm 24 MB/s | 12 MB 00:00 (18/55): hostname-3.23-9.fc39.i686.rpm 388 kB/s | 28 kB 00:00 (19/55): guile22-2.2.7-9.fc39.i686.rpm 42 MB/s | 6.5 MB 00:00 (20/55): json-fortran-devel-8.3.0-5.fc39.i686.r 1.4 MB/s | 90 kB 00:00 (21/55): kernel-headers-6.5.0-0.rc6.git0.1.fc40 16 MB/s | 1.4 MB 00:00 (22/55): json-fortran-8.3.0-5.fc39.i686.rpm 542 kB/s | 99 kB 00:00 (23/55): libatomic-13.2.1-1.fc39.i686.rpm 589 kB/s | 32 kB 00:00 (24/55): gcc-13.2.1-1.fc39.i686.rpm 39 MB/s | 34 MB 00:00 (25/55): libb2-0.98.1-9.fc39.i686.rpm 452 kB/s | 28 kB 00:00 (26/55): libasan-13.2.1-1.fc39.i686.rpm 3.4 MB/s | 506 kB 00:00 (27/55): libgfortran-13.2.1-1.fc39.i686.rpm 12 MB/s | 838 kB 00:00 (28/55): libquadmath-13.2.1-1.fc39.i686.rpm 6.3 MB/s | 241 kB 00:00 (29/55): libmpc-1.3.1-3.fc39.i686.rpm 1.3 MB/s | 77 kB 00:00 (30/55): libquadmath-devel-13.2.1-1.fc39.i686.r 659 kB/s | 36 kB 00:00 (31/55): libtool-ltdl-2.4.7-7.fc39.i686.rpm 389 kB/s | 38 kB 00:00 (32/55): libubsan-13.2.1-1.fc39.i686.rpm 2.2 MB/s | 234 kB 00:00 (33/55): libxcrypt-devel-4.4.36-2.fc39.i686.rpm 277 kB/s | 30 kB 00:00 (34/55): libyaml-0.2.5-12.fc39.i686.rpm 932 kB/s | 62 kB 00:00 (35/55): make-4.4.1-2.fc39.i686.rpm 7.6 MB/s | 589 kB 00:00 (36/55): mctc-lib-0.3.0-6.fc39.i686.rpm 2.4 MB/s | 115 kB 00:00 (37/55): mctc-lib-devel-0.3.0-6.fc39.i686.rpm 2.8 MB/s | 171 kB 00:00 (38/55): mpdecimal-2.5.1-7.fc39.i686.rpm 1.3 MB/s | 91 kB 00:00 (39/55): meson-1.2.1-1.fc40.noarch.rpm 22 MB/s | 1.9 MB 00:00 (40/55): ninja-build-1.11.1-4.fc39.i686.rpm 3.7 MB/s | 183 kB 00:00 (41/55): python3-3.12.0~rc1-1.fc40.i686.rpm 315 kB/s | 26 kB 00:00 (42/55): python-pip-wheel-23.2.1-1.fc39.noarch. 16 MB/s | 1.5 MB 00:00 (43/55): ruby-3.2.2-181.fc39.i686.rpm 527 kB/s | 41 kB 00:00 (44/55): python3-setuptools-67.7.2-5.fc39.noarc 16 MB/s | 1.4 MB 00:00 (45/55): python3-libs-3.12.0~rc1-1.fc40.i686.rp 44 MB/s | 8.9 MB 00:00 (46/55): ruby-default-gems-3.2.2-181.fc39.noarc 547 kB/s | 31 kB 00:00 (47/55): rubygem-asciidoctor-2.0.20-3.fc39.noar 4.2 MB/s | 249 kB 00:00 (48/55): rubygem-io-console-0.6.0-181.fc39.i686 463 kB/s | 26 kB 00:00 (49/55): rubygem-psych-5.0.1-181.fc39.i686.rpm 836 kB/s | 52 kB 00:00 (50/55): rubygems-3.4.10-181.fc39.noarch.rpm 4.0 MB/s | 255 kB 00:00 (51/55): rubypick-1.1.1-19.fc39.noarch.rpm 152 kB/s | 9.9 kB 00:00 (52/55): test-drive-0.4.0-5.fc39.i686.rpm 651 kB/s | 40 kB 00:00 (53/55): test-drive-devel-0.4.0-5.fc39.i686.rpm 299 kB/s | 17 kB 00:00 (54/55): vim-filesystem-9.0.1712-1.fc40.noarch. 309 kB/s | 18 kB 00:00 (55/55): ruby-libs-3.2.2-181.fc39.i686.rpm 6.7 MB/s | 3.4 MB 00:00 -------------------------------------------------------------------------------- Total 37 MB/s | 96 MB 00:02 Running transaction check Transaction check succeeded. Running transaction test Transaction test succeeded. Running transaction Preparing : 1/1 Installing : cmake-filesystem-3.27.2-1.fc40.i686 1/55 Installing : vim-filesystem-2:9.0.1712-1.fc40.noarch 2/55 Installing : python-pip-wheel-23.2.1-1.fc39.noarch 3/55 Installing : kernel-headers-6.5.0-0.rc6.git0.1.fc40.i686 4/55 Installing : glibc-headers-x86-2.38-1.fc39.noarch 5/55 Installing : libxcrypt-devel-4.4.36-2.fc39.i686 6/55 Installing : glibc-devel-2.38-1.fc39.i686 7/55 Installing : emacs-filesystem-1:29.1-1.fc39.noarch 8/55 Installing : annobin-docs-12.23-1.fc39.noarch 9/55 Installing : openblas-0.3.23-1.fc39.i686 10/55 Installing : libgfortran-13.2.1-1.fc39.i686 11/55 Installing : ruby-libs-3.2.2-181.fc39.i686 12/55 Installing : libquadmath-13.2.1-1.fc39.i686 13/55 Installing : libmpc-1.3.1-3.fc39.i686 14/55 Installing : json-fortran-8.3.0-5.fc39.i686 15/55 Installing : mctc-lib-0.3.0-6.fc39.i686 16/55 Installing : cpp-13.2.1-1.fc39.i686 17/55 Installing : openblas-openmp-0.3.23-1.fc39.i686 18/55 Installing : flexiblas-netlib-3.3.1-5.fc39.i686 19/55 Installing : flexiblas-openblas-openmp-3.3.1-5.fc39.i686 20/55 Installing : flexiblas-3.3.1-5.fc39.i686 21/55 Installing : test-drive-0.4.0-5.fc39.i686 22/55 Installing : mpdecimal-2.5.1-7.fc39.i686 23/55 Installing : libyaml-0.2.5-12.fc39.i686 24/55 Installing : rubypick-1.1.1-19.fc39.noarch 25/55 Installing : ruby-3.2.2-181.fc39.i686 26/55 Installing : ruby-default-gems-3.2.2-181.fc39.noarch 27/55 Installing : rubygem-io-console-0.6.0-181.fc39.i686 28/55 Installing : rubygems-3.4.10-181.fc39.noarch 29/55 Installing : rubygem-psych-5.0.1-181.fc39.i686 30/55 Installing : libubsan-13.2.1-1.fc39.i686 31/55 Installing : libtool-ltdl-2.4.7-7.fc39.i686 32/55 Installing : libb2-0.98.1-9.fc39.i686 33/55 Installing : libatomic-13.2.1-1.fc39.i686 34/55 Installing : libasan-13.2.1-1.fc39.i686 35/55 Installing : gc-8.2.2-4.fc39.i686 36/55 Installing : guile22-2.2.7-9.fc39.i686 37/55 Installing : make-1:4.4.1-2.fc39.i686 38/55 Installing : gcc-13.2.1-1.fc39.i686 39/55 Running scriptlet: gcc-13.2.1-1.fc39.i686 39/55 Installing : libquadmath-devel-13.2.1-1.fc39.i686 40/55 Installing : gcc-gfortran-13.2.1-1.fc39.i686 41/55 Installing : json-fortran-devel-8.3.0-5.fc39.i686 42/55 Installing : expat-2.5.0-3.fc39.i686 43/55 Installing : mctc-lib-devel-0.3.0-6.fc39.i686 44/55 Installing : rubygem-asciidoctor-2.0.20-3.fc39.noarch 45/55 Installing : test-drive-devel-0.4.0-5.fc39.i686 46/55 Installing : python3-3.12.0~rc1-1.fc40.i686 47/55 Installing : python3-libs-3.12.0~rc1-1.fc40.i686 48/55 Installing : python3-setuptools-67.7.2-5.fc39.noarch 49/55 Installing : ninja-build-1.11.1-4.fc39.i686 50/55 Installing : meson-1.2.1-1.fc40.noarch 51/55 Installing : annobin-plugin-gcc-12.23-1.fc39.i686 52/55 Running scriptlet: annobin-plugin-gcc-12.23-1.fc39.i686 52/55 Installing : gcc-plugin-annobin-13.2.1-1.fc39.i686 53/55 Running scriptlet: gcc-plugin-annobin-13.2.1-1.fc39.i686 53/55 Installing : flexiblas-devel-3.3.1-5.fc39.i686 54/55 Installing : hostname-3.23-9.fc39.i686 55/55 Running scriptlet: hostname-3.23-9.fc39.i686 55/55 Verifying : flexiblas-3.3.1-5.fc39.i686 1/55 Verifying : flexiblas-devel-3.3.1-5.fc39.i686 2/55 Verifying : flexiblas-netlib-3.3.1-5.fc39.i686 3/55 Verifying : flexiblas-openblas-openmp-3.3.1-5.fc39.i686 4/55 Verifying : openblas-0.3.23-1.fc39.i686 5/55 Verifying : openblas-openmp-0.3.23-1.fc39.i686 6/55 Verifying : annobin-docs-12.23-1.fc39.noarch 7/55 Verifying : annobin-plugin-gcc-12.23-1.fc39.i686 8/55 Verifying : cmake-filesystem-3.27.2-1.fc40.i686 9/55 Verifying : cpp-13.2.1-1.fc39.i686 10/55 Verifying : emacs-filesystem-1:29.1-1.fc39.noarch 11/55 Verifying : expat-2.5.0-3.fc39.i686 12/55 Verifying : gc-8.2.2-4.fc39.i686 13/55 Verifying : gcc-13.2.1-1.fc39.i686 14/55 Verifying : gcc-gfortran-13.2.1-1.fc39.i686 15/55 Verifying : gcc-plugin-annobin-13.2.1-1.fc39.i686 16/55 Verifying : glibc-devel-2.38-1.fc39.i686 17/55 Verifying : glibc-headers-x86-2.38-1.fc39.noarch 18/55 Verifying : guile22-2.2.7-9.fc39.i686 19/55 Verifying : hostname-3.23-9.fc39.i686 20/55 Verifying : json-fortran-8.3.0-5.fc39.i686 21/55 Verifying : json-fortran-devel-8.3.0-5.fc39.i686 22/55 Verifying : kernel-headers-6.5.0-0.rc6.git0.1.fc40.i686 23/55 Verifying : libasan-13.2.1-1.fc39.i686 24/55 Verifying : libatomic-13.2.1-1.fc39.i686 25/55 Verifying : libb2-0.98.1-9.fc39.i686 26/55 Verifying : libgfortran-13.2.1-1.fc39.i686 27/55 Verifying : libmpc-1.3.1-3.fc39.i686 28/55 Verifying : libquadmath-13.2.1-1.fc39.i686 29/55 Verifying : libquadmath-devel-13.2.1-1.fc39.i686 30/55 Verifying : libtool-ltdl-2.4.7-7.fc39.i686 31/55 Verifying : libubsan-13.2.1-1.fc39.i686 32/55 Verifying : libxcrypt-devel-4.4.36-2.fc39.i686 33/55 Verifying : libyaml-0.2.5-12.fc39.i686 34/55 Verifying : make-1:4.4.1-2.fc39.i686 35/55 Verifying : mctc-lib-0.3.0-6.fc39.i686 36/55 Verifying : mctc-lib-devel-0.3.0-6.fc39.i686 37/55 Verifying : meson-1.2.1-1.fc40.noarch 38/55 Verifying : mpdecimal-2.5.1-7.fc39.i686 39/55 Verifying : ninja-build-1.11.1-4.fc39.i686 40/55 Verifying : python-pip-wheel-23.2.1-1.fc39.noarch 41/55 Verifying : python3-3.12.0~rc1-1.fc40.i686 42/55 Verifying : python3-libs-3.12.0~rc1-1.fc40.i686 43/55 Verifying : python3-setuptools-67.7.2-5.fc39.noarch 44/55 Verifying : ruby-3.2.2-181.fc39.i686 45/55 Verifying : ruby-default-gems-3.2.2-181.fc39.noarch 46/55 Verifying : ruby-libs-3.2.2-181.fc39.i686 47/55 Verifying : rubygem-asciidoctor-2.0.20-3.fc39.noarch 48/55 Verifying : rubygem-io-console-0.6.0-181.fc39.i686 49/55 Verifying : rubygem-psych-5.0.1-181.fc39.i686 50/55 Verifying : rubygems-3.4.10-181.fc39.noarch 51/55 Verifying : rubypick-1.1.1-19.fc39.noarch 52/55 Verifying : test-drive-0.4.0-5.fc39.i686 53/55 Verifying : test-drive-devel-0.4.0-5.fc39.i686 54/55 Verifying : vim-filesystem-2:9.0.1712-1.fc40.noarch 55/55 Installed: annobin-docs-12.23-1.fc39.noarch annobin-plugin-gcc-12.23-1.fc39.i686 cmake-filesystem-3.27.2-1.fc40.i686 cpp-13.2.1-1.fc39.i686 emacs-filesystem-1:29.1-1.fc39.noarch expat-2.5.0-3.fc39.i686 flexiblas-3.3.1-5.fc39.i686 flexiblas-devel-3.3.1-5.fc39.i686 flexiblas-netlib-3.3.1-5.fc39.i686 flexiblas-openblas-openmp-3.3.1-5.fc39.i686 gc-8.2.2-4.fc39.i686 gcc-13.2.1-1.fc39.i686 gcc-gfortran-13.2.1-1.fc39.i686 gcc-plugin-annobin-13.2.1-1.fc39.i686 glibc-devel-2.38-1.fc39.i686 glibc-headers-x86-2.38-1.fc39.noarch guile22-2.2.7-9.fc39.i686 hostname-3.23-9.fc39.i686 json-fortran-8.3.0-5.fc39.i686 json-fortran-devel-8.3.0-5.fc39.i686 kernel-headers-6.5.0-0.rc6.git0.1.fc40.i686 libasan-13.2.1-1.fc39.i686 libatomic-13.2.1-1.fc39.i686 libb2-0.98.1-9.fc39.i686 libgfortran-13.2.1-1.fc39.i686 libmpc-1.3.1-3.fc39.i686 libquadmath-13.2.1-1.fc39.i686 libquadmath-devel-13.2.1-1.fc39.i686 libtool-ltdl-2.4.7-7.fc39.i686 libubsan-13.2.1-1.fc39.i686 libxcrypt-devel-4.4.36-2.fc39.i686 libyaml-0.2.5-12.fc39.i686 make-1:4.4.1-2.fc39.i686 mctc-lib-0.3.0-6.fc39.i686 mctc-lib-devel-0.3.0-6.fc39.i686 meson-1.2.1-1.fc40.noarch mpdecimal-2.5.1-7.fc39.i686 ninja-build-1.11.1-4.fc39.i686 openblas-0.3.23-1.fc39.i686 openblas-openmp-0.3.23-1.fc39.i686 python-pip-wheel-23.2.1-1.fc39.noarch python3-3.12.0~rc1-1.fc40.i686 python3-libs-3.12.0~rc1-1.fc40.i686 python3-setuptools-67.7.2-5.fc39.noarch ruby-3.2.2-181.fc39.i686 ruby-default-gems-3.2.2-181.fc39.noarch ruby-libs-3.2.2-181.fc39.i686 rubygem-asciidoctor-2.0.20-3.fc39.noarch rubygem-io-console-0.6.0-181.fc39.i686 rubygem-psych-5.0.1-181.fc39.i686 rubygems-3.4.10-181.fc39.noarch rubypick-1.1.1-19.fc39.noarch test-drive-0.4.0-5.fc39.i686 test-drive-devel-0.4.0-5.fc39.i686 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: i686 Building for target i686 setting SOURCE_DATE_EPOCH=1691971200 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.IGn3xp + 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.vlvT9f + 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/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/lib: + 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules -fPIC' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules -fPIC' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/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/lib: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/meson setup --buildtype=plain --prefix=/usr --libdir=/usr/lib --libexecdir=/usr/libexec --bindir=/usr/bin --sbindir=/usr/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: x86 Host machine cpu: i686 Program git found: NO Program python3 found: YES (/usr/bin/python3) Configuring xtb_version.fh using configuration meson.build:68: WARNING: The variable(s) 'author', 'date', 'origin' in the input file 'assets/templates/version.f90' are not present in the given configuration data. Library flexiblas found: YES Run-time dependency OpenMP found: YES 4.5 Run-time dependency threads found: YES Found pkg-config: /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/lib 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='Mon Aug 14 18:01:20 UTC 2023' + cat + /usr/bin/meson compile -C redhat-linux-build -j 2 --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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] /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 [3/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [4/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [5/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [6/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [7/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 ; | ^ [9/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [10/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [12/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [13/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [14/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [15/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [16/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [17/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [18/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [19/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [20/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [21/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [22/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [23/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [24/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [25/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [26/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [27/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [29/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [30/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [34/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [35/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [36/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [37/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [41/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [42/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [47/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [48/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [49/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [50/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [51/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [53/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [54/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [55/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [56/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [57/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [58/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [59/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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(:, :) | ^ [60/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [61/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [62/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [63/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [64/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [65/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [66/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [67/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [68/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [69/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [71/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [72/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [73/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [74/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [75/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [76/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [77/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [78/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [79/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [80/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [82/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [83/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [84/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [85/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [86/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [87/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [88/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [89/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [90/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [91/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [92/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [93/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [94/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [95/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [96/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [97/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [98/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [99/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [100/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [101/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [102/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [103/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [104/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [105/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [109/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [110/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [111/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [112/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [113/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [114/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [115/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [116/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [117/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [118/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [119/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [120/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [121/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [122/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [123/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [124/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [125/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [127/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 ../src/elem.f90: In function ‘elem_’: ../src/elem.f90:49:10: warning: ‘l’ may be used uninitialized [-Wmaybe-uninitialized] 49 | if (k.gt.2)exit | ^ ../src/elem.f90:45:28: note: ‘l’ was declared here 45 | if(key1(i:i).ne.' ') L=i | ^ [128/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [129/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [130/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [134/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [135/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [137/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [138/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [140/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [141/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [142/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [143/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [144/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [145/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [146/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [148/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [149/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [150/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [151/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [152/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [153/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [158/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [159/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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) | ^ [160/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [161/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [162/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [163/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [164/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [165/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [166/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [167/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [168/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [169/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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(:, :) | ^ [170/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [171/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [172/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [173/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [174/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [175/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [176/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [177/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [178/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [179/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [180/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [181/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [182/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [183/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [184/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [185/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [186/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [187/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [188/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [189/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [190/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [191/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [192/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [193/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [194/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [195/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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) | ^ [196/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [197/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [198/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [199/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [200/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [201/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [202/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [203/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [204/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [205/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [206/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [207/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [208/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [209/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [211/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [212/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [213/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [214/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [215/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [216/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [217/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [218/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [219/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [220/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [221/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [222/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [223/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [224/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [225/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [226/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [227/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [228/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [229/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [230/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [231/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [232/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [233/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [234/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [235/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [236/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [237/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [238/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [239/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [240/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [241/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [242/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [243/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [244/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [245/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [246/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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(:,:) | ^ [247/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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(:,:) | ^ [248/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [249/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [250/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [251/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [252/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [253/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [255/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [256/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [257/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [258/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [259/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [260/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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) & | ^ [261/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [262/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [263/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [264/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [265/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [266/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [267/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [268/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [269/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [270/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [271/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [272/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [273/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [274/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [275/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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) | ^ [276/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [277/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [278/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [279/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [280/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [281/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [282/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [283/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [284/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [285/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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.f90:167:18: 167 | ptr_geometry = size_info + ptr_info | 1 Warning: Possible change of value in conversion from INTEGER(8) to INTEGER(4) at (1) [-Wconversion] ../src/wrgbw.f90:82:55: 82 | integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount | 1 Warning: Unused variable ‘icount’ 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [287/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [288/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [289/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [290/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [291/343] /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 [292/343] 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [293/343] /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 [294/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [297/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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: ../src/bias_path.f90:746:20: warning: ‘y_wert’ may be used uninitialized [-Wmaybe-uninitialized] 746 | y2(i) = y_wert | ^ ../src/bias_path.f90: In function ‘__xtb_biaspath_MOD_alignpath’: ../src/bias_path.f90:737:18: note: ‘y_wert’ was declared here 737 | real(wp) y_wert | ^ [298/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [299/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [300/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [301/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [302/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [303/343] gfortran -Ilibxtb.so.6.6.1.p -I. -I.. -I../include -I/usr/include/mctc-lib/gcc-13.1.1 -I/usr/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [307/343] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [308/343] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [314/343] 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/i686-redhat-linux/13 -L/usr/lib/gcc/i686-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib/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 [315/343] 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/i686-redhat-linux/13 -L/usr/lib/gcc/i686-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fPIC -lflexiblas -fopenmp -pthread /usr/lib/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 [316/343] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [324/343] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [331/343] gcc -o test/api/xtb_c_test test/api/xtb_c_test.p/c_api_example.c.o -L/usr/lib/gcc/i686-redhat-linux/13 -L/usr/lib/gcc/i686-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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib/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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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(:, :) | ^ [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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] [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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [341/343] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [342/343] 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/lib/gfortran/modules -fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-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 [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/i686-redhat-linux/13 -L/usr/lib/gcc/i686-redhat-linux/13/../../.. -L/usr/lib -L/lib -I/usr/lib/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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -fPIC -Wl,--start-group libxtb.a -lflexiblas -fopenmp -pthread /usr/lib/libmctc-lib.so /usr/lib/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 2 -v + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.taPbfQ + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386 ++ dirname /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386 + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/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/lib: + 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.i386 + /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.i386/usr/lib Installing libxtb.a to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/lib Installing xtb to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/bin Installing /builddir/build/BUILD/xtb-6.6.1/include/xtb.h to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/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.i386/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.i386/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.i386/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.i386/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.i386/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.i386/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.i386/usr/share/xtb Installing /builddir/build/BUILD/xtb-6.6.1/.param_gfnff.xtb to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/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.i386/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.i386/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.i386/usr/lib/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.i386/usr/share/modules/modulefiles/xtb Installing symlink pointing to libxtb.so.6.6.1 to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/lib/libxtb.so.6 Installing symlink pointing to libxtb.so.6 to /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/lib/libxtb.so + rm /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/lib/libxtb.a + rm -rf /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/share/modules + mkdir -p /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/etc/profile.d + cat + cat + /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 6.6.1-1.fc40 --unique-debug-suffix -6.6.1-1.fc40.i386 --unique-debug-src-base xtb-6.6.1-1.fc40.i386 --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.i386 cpio: redhat-linux-build/param_alpb_acetone.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_acetonitrile.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_aniline.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_benzaldehyde.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_benzene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ch2cl2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_chcl3.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_cs2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dioxane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dmf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_dmso.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ethanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ether.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_ethylacetate.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_furane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_hexadecane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_hexane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_methanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_nitromethane.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_octanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_phenol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_thf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_toluene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_water.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_alpb_woctanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_cosmo.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_cosmo_inf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_acetone.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_acetonitrile.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_benzene.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_ch2cl2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_chcl3.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_cs2.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_dmf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_dmso.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_ether.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_h2o.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_methanol.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_nhexan.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_thf.fh: Cannot stat: No such file or directory cpio: redhat-linux-build/param_gbsa_toluene.fh: Cannot stat: No such file or directory 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 -j2 + /usr/lib/rpm/redhat/brp-python-hardlink Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.5o16Q8 + 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 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m32 -march=i686 -mtune=generic -msse2 -mfpmath=sse -mstackrealign -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -I/usr/lib/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/lib: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd xtb-6.6.1 ++ hostname + export HOSTNAME=adf4d70b1dc64ab0bcad748022c7c14b + HOSTNAME=adf4d70b1dc64ab0bcad748022c7c14b + export OMP_NUM_THREADS=1 + OMP_NUM_THREADS=1 + /usr/bin/meson test -C redhat-linux-build --num-processes 2 --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 0.01s 2/30 xtb / C API OK 0.09s 3/30 xtb:unit / coordinationnumber OK 0.13s 4/30 xtb:unit / coulomb OK 1.26s 5/30 xtb:unit / dftd3 OK 1.63s 6/30 xtb:unit / docking OK 0.30s 7/30 xtb:unit / eeq OK 0.10s 8/30 xtb:unit / gfn0 OK 0.50s 9/30 xtb:unit / dftd4 OK 1.73s 10/30 xtb:unit / gfn1 OK 3.30s 11/30 xtb:unit / gfn2 OK 3.03s 12/30 xtb:unit / hessian OK 0.06s 13/30 xtb:unit / gfnff OK 0.27s 14/30 xtb:unit / latticepoint OK 0.01s 15/30 xtb:unit / molecule OK 0.01s 16/30 xtb:unit / oniom OK 0.06s 17/30 xtb:unit / pbc-tools OK 0.01s 18/30 xtb:unit / iff OK 0.33s 19/30 xtb:unit / peeq OK 0.18s 20/30 xtb:unit / symmetry OK 0.07s 21/30 xtb:unit / tblite OK 0.01s 22/30 xtb:unit / thermo OK 0.02s 23/30 xtb:unit / vertical OK 0.04s 24/30 xtb:unit / wsc OK 0.01s 25/30 xtb / Argparser print version OK 0.01s 26/30 xtb / Argparser print help OK 0.01s 27/30 xtb / Argparser print license OK 0.01s 28/30 xtb / Argparser no arguments EXPECTEDFAIL 0.10s exit status 1 29/30 xtb / Info OK 0.02s 30/30 xtb:unit / repulsion OK 0.56s 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.i686 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.2WkCoP + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + DOCDIR=/builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/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.i386/usr/share/doc/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/README.md /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/share/doc/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/CONTRIBUTING.md /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/share/doc/xtb + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.ig8y1w + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + LICENSEDIR=/builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/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.i386/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/COPYING /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/COPYING.LESSER /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/share/licenses/xtb + cp -pr /builddir/build/BUILD/xtb-6.6.1/README.md /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/usr/share/licenses/xtb + RPM_EC=0 ++ jobs -p + exit 0 Provides: xtb = 6.6.1-1.fc40 xtb(x86-32) = 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 libc.so.6(GLIBC_2.0) libc.so.6(GLIBC_2.1.3) libc.so.6(GLIBC_2.3.4) libc.so.6(GLIBC_2.34) libc.so.6(GLIBC_2.4) libflexiblas.so.3 libgcc_s.so.1 libgcc_s.so.1(GCC_3.0) libgcc_s.so.1(GCC_3.3.1) libgcc_s.so.1(GCC_4.0.0) libgfortran.so.5 libgfortran.so.5(GFORTRAN_10) libgfortran.so.5(GFORTRAN_8) libgomp.so.1 libgomp.so.1(GOMP_1.0) libgomp.so.1(GOMP_4.0) libgomp.so.1(GOMP_4.5) libgomp.so.1(GOMP_5.0) libgomp.so.1(OMP_1.0) libm.so.6 libm.so.6(GLIBC_2.0) libm.so.6(GLIBC_2.1) libm.so.6(GLIBC_2.29) libmctc-lib.so.0 rtld(GNU_HASH) Processing files: xtb-data-6.6.1-1.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.i686 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.khFApb + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + LICENSEDIR=/builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/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.i386/usr/share/licenses/xtb-libs + cp -pr /builddir/build/BUILD/xtb-6.6.1/COPYING /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386/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.i386/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.i386/usr/share/licenses/xtb-libs + RPM_EC=0 ++ jobs -p + exit 0 Provides: libxtb.so.6 xtb-libs = 6.6.1-1.fc40 xtb-libs(x86-32) = 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 libc.so.6(GLIBC_2.0) libc.so.6(GLIBC_2.1) libc.so.6(GLIBC_2.1.3) libc.so.6(GLIBC_2.3.4) libc.so.6(GLIBC_2.4) libc.so.6(GLIBC_2.7) libflexiblas.so.3 libgcc_s.so.1 libgcc_s.so.1(GCC_3.0) libgcc_s.so.1(GCC_3.3.1) libgcc_s.so.1(GCC_4.0.0) libgfortran.so.5 libgfortran.so.5(GFORTRAN_10) libgfortran.so.5(GFORTRAN_8) libgomp.so.1 libgomp.so.1(GOMP_1.0) libgomp.so.1(GOMP_4.0) libgomp.so.1(GOMP_4.5) libgomp.so.1(GOMP_5.0) libgomp.so.1(OMP_1.0) libm.so.6 libm.so.6(GLIBC_2.0) libm.so.6(GLIBC_2.1) libm.so.6(GLIBC_2.29) libmctc-lib.so.0 rtld(GNU_HASH) Processing files: xtb-devel-6.6.1-1.fc40.i686 Provides: pkgconfig(xtb) = 6.6.1 xtb-devel = 6.6.1-1.fc40 xtb-devel(x86-32) = 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 Processing files: xtb-debugsource-6.6.1-1.fc40.i686 Provides: xtb-debugsource = 6.6.1-1.fc40 xtb-debugsource(x86-32) = 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.i686 Provides: debuginfo(build-id) = 20474d73e6bf266a6812ffa1d0848a4e569509e7 xtb-debuginfo = 6.6.1-1.fc40 xtb-debuginfo(x86-32) = 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(x86-32) = 6.6.1-1.fc40 Processing files: xtb-libs-debuginfo-6.6.1-1.fc40.i686 Provides: debuginfo(build-id) = 59a769804212d6c15ac7954971b117397bb91984 libxtb.so.6.6.1-6.6.1-1.fc40.i386.debug xtb-libs-debuginfo = 6.6.1-1.fc40 xtb-libs-debuginfo(x86-32) = 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(x86-32) = 6.6.1-1.fc40 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386 Wrote: /builddir/build/RPMS/xtb-libs-debuginfo-6.6.1-1.fc40.i686.rpm Wrote: /builddir/build/RPMS/xtb-debugsource-6.6.1-1.fc40.i686.rpm Wrote: /builddir/build/RPMS/xtb-debuginfo-6.6.1-1.fc40.i686.rpm Wrote: /builddir/build/RPMS/xtb-libs-6.6.1-1.fc40.i686.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.i686.rpm Wrote: /builddir/build/RPMS/xtb-6.6.1-1.fc40.i686.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.PVVLTV + umask 022 + cd /builddir/build/BUILD + cd xtb-6.6.1 + /usr/bin/rm -rf /builddir/build/BUILDROOT/xtb-6.6.1-1.fc40.i386 + RPM_EC=0 ++ jobs -p + exit 0 Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.auN20T + 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-i686-1692035958.155212/root/var/log/dnf.rpm.log /var/lib/mock/fedora-39-i686-1692035958.155212/root/var/log/dnf.librepo.log /var/lib/mock/fedora-39-i686-1692035958.155212/root/var/log/dnf.log INFO: Done(/var/lib/copr-rpmbuild/results/xtb-6.6.1-1.fc40.src.rpm) Config(child) 5 minutes 11 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