Warning: Permanently added '2620:52:3:1:dead:beef:cafe:c1c8' (ED25519) to the list of known hosts. cmd: ['copr-distgit-client', 'sources'] cwd: /var/lib/copr-rpmbuild/workspace/workdir-_8e0gjvv/mrchem 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 mrchem-1.1.3.tar.gz INFO: Reading stdout from command: curl --help all INFO: Calling: curl -H Pragma: -o mrchem-1.1.3.tar.gz --location --connect-timeout 60 --retry 3 --retry-delay 10 --remote-time --show-error --fail --retry-all-errors https://copr-dist-git.fedorainfracloud.org/repo/pkgs/@python/python3.12/mrchem/mrchem-1.1.3.tar.gz/md5/026b006dca6e3f26702d2302fda3c1bc/mrchem-1.1.3.tar.gz % Total % Received % Xferd Average Speed Time Time Time Current Dload Upload Total Spent Left Speed 100 4134k 100 4134k 0 0 33.9M 0 --:--:-- --:--:-- --:--:-- 34.2M INFO: Reading stdout from command: md5sum mrchem-1.1.3.tar.gz Running (timeout=18000): unbuffer mock --spec /var/lib/copr-rpmbuild/workspace/workdir-_8e0gjvv/mrchem/mrchem.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-_8e0gjvv/mrchem --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1717749984.660041 -r /var/lib/copr-rpmbuild/results/configs/child.cfg INFO: mock.py version 5.6 starting (python version = 3.12.1, NVR = mock-5.6-1.fc39), args: /usr/libexec/mock/mock --spec /var/lib/copr-rpmbuild/workspace/workdir-_8e0gjvv/mrchem/mrchem.spec --sources /var/lib/copr-rpmbuild/workspace/workdir-_8e0gjvv/mrchem --resultdir /var/lib/copr-rpmbuild/results --uniqueext 1717749984.660041 -r /var/lib/copr-rpmbuild/results/configs/child.cfg 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-_8e0gjvv/mrchem/mrchem.spec) Config(fedora-rawhide-x86_64) Start: clean chroot Finish: clean chroot Mock Version: 5.6 INFO: Mock Version: 5.6 Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-1717749984.660041/root. INFO: calling preinit hooks INFO: enabled root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin INFO: Package manager dnf5 detected and used (fallback) INFO: Buildroot is handled by package management from host and used with --installroot: rpm-4.19.1.1-1.fc39.x86_64 rpm-sequoia-1.6.0-1.fc39.x86_64 python3-dnf-4.19.2-1.fc39.noarch python3-dnf-plugins-core-4.6.0-1.fc39.noarch yum-4.19.2-1.fc39.noarch dnf5-5.1.17-1.fc39.x86_64 dnf5-plugins-5.1.17-1.fc39.x86_64 Start: installing minimal buildroot with dnf5 Updating and loading repositories: fedora 100% | 22.6 MiB/s | 21.1 MiB | 00m01s Copr repository 100% | 16.9 MiB/s | 3.7 MiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 48.7 MiB/s | 17.4 MiB | 00m00s Repositories loaded. 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206.6 KiB rpm-libs x86_64 4.19.91-8.fc41 copr_base 713.9 KiB rpm-sequoia x86_64 1.6.0-3.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.2 MiB rust-srpm-macros noarch 26.3-1.fc41 copr_base 4.8 KiB setup noarch 2.15.0-3.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 720.7 KiB sqlite-libs x86_64 3.46.0-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.4 MiB systemd-libs x86_64 256~rc3-4.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.0 MiB util-linux-core x86_64 2.40.1-1.fc41 copr_base 1.5 MiB xxhash-libs x86_64 0.8.2-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 88.5 KiB xz-libs x86_64 1:5.4.6-3.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 209.8 KiB zig-srpm-macros noarch 1-2.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.1 KiB zip x86_64 3.0-40.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 703.2 KiB zlib-ng-compat x86_64 2.1.6-6.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 134.0 KiB zstd x86_64 1.5.6-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB Installing groups: Buildsystem building group Transaction Summary: Installing: 155 packages Total size of inbound packages is 53 MiB. Need to download 53 MiB. After this operation 182 MiB will be used (install 182 MiB, remove 0 B). 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redhat-rpm-config-0:292-1.fc4 100% | 3.9 MiB/s | 75.5 KiB | 00m00s [ 15/155] sed-0:4.9-1.fc40.x86_64 100% | 13.7 MiB/s | 309.2 KiB | 00m00s [ 16/155] rpm-build-0:4.19.91-8.fc41.x8 100% | 1.7 MiB/s | 75.7 KiB | 00m00s [ 17/155] shadow-utils-2:4.15.1-5.fc41. 100% | 33.2 MiB/s | 1.3 MiB | 00m00s [ 18/155] unzip-0:6.0-63.fc40.x86_64 100% | 7.5 MiB/s | 184.5 KiB | 00m00s [ 19/155] tar-2:1.35-3.fc40.x86_64 100% | 21.8 MiB/s | 847.4 KiB | 00m00s [ 20/155] which-0:2.21-41.fc40.x86_64 100% | 2.1 MiB/s | 41.4 KiB | 00m00s [ 21/155] xz-1:5.4.6-3.fc41.x86_64 100% | 20.0 MiB/s | 531.9 KiB | 00m00s [ 22/155] util-linux-0:2.40.1-1.fc41.x8 100% | 23.1 MiB/s | 1.2 MiB | 00m00s [ 23/155] xz-libs-1:5.4.6-3.fc41.x86_64 100% | 4.7 MiB/s | 110.2 KiB | 00m00s [ 24/155] bzip2-libs-0:1.0.8-18.fc40.x8 100% | 1.5 MiB/s | 40.9 KiB | 00m00s [ 25/155] glibc-0:2.39.9000-18.fc41.x86 100% | 44.8 MiB/s | 2.2 MiB | 00m00s [ 26/155] libselinux-0:3.6-5.fc41.x86_6 100% | 8.6 MiB/s | 87.7 KiB | 00m00s [ 27/155] libacl-0:2.3.2-1.fc40.x86_64 100% | 1.1 MiB/s | 24.4 KiB | 00m00s [ 28/155] audit-libs-0:4.0.1-2.fc41.x86 100% | 12.3 MiB/s | 125.8 KiB | 00m00s [ 29/155] libsemanage-0:3.6-3.fc41.x86_ 100% | 11.4 MiB/s | 116.8 KiB | 00m00s [ 30/155] libattr-0:2.5.2-3.fc40.x86_64 100% | 1.0 MiB/s | 18.0 KiB | 00m00s [ 31/155] libeconf-0:0.6.2-2.fc41.x86_6 100% | 1.7 MiB/s | 32.0 KiB | 00m00s [ 32/155] libxcrypt-0:4.4.36-5.fc40.x86 100% | 5.8 MiB/s | 118.1 KiB | 00m00s [ 33/155] pam-libs-0:1.6.1-3.fc41.x86_6 100% | 2.8 MiB/s | 57.1 KiB | 00m00s [ 34/155] setup-0:2.15.0-3.fc41.noarch 100% | 7.2 MiB/s | 148.4 KiB | 00m00s [ 35/155] ansible-srpm-macros-0:1-15.fc 100% | 907.3 KiB/s | 20.9 KiB | 00m00s [ 36/155] build-reproducibility-srpm-ma 100% | 378.9 KiB/s | 9.1 KiB | 00m00s [ 37/155] glibc-gconv-extra-0:2.39.9000 100% | 33.4 MiB/s | 1.6 MiB | 00m00s [ 38/155] efi-srpm-macros-0:5-11.fc40.n 100% | 969.5 KiB/s | 22.3 KiB | 00m00s [ 39/155] dwz-0:0.15-6.fc40.x86_64 100% | 5.2 MiB/s | 137.8 KiB | 00m00s [ 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00m00s [ 53/155] perl-srpm-macros-0:1-53.fc40. 100% | 465.7 KiB/s | 8.4 KiB | 00m00s [ 54/155] pyproject-srpm-macros-0:1.12. 100% | 679.3 KiB/s | 12.9 KiB | 00m00s [ 55/155] qt5-srpm-macros-0:5.15.14-1.f 100% | 492.3 KiB/s | 8.9 KiB | 00m00s [ 56/155] rpm-0:4.19.91-8.fc41.x86_64 100% | 30.1 MiB/s | 524.2 KiB | 00m00s [ 57/155] qt6-srpm-macros-0:6.7.1-1.fc4 100% | 493.2 KiB/s | 8.9 KiB | 00m00s [ 58/155] rust-srpm-macros-0:26.3-1.fc4 100% | 1.4 MiB/s | 13.1 KiB | 00m00s [ 59/155] zip-0:3.0-40.fc40.x86_64 100% | 12.3 MiB/s | 264.8 KiB | 00m00s [ 60/155] zig-srpm-macros-0:1-2.fc40.no 100% | 365.4 KiB/s | 8.0 KiB | 00m00s [ 61/155] ed-0:1.20.2-1.fc41.x86_64 100% | 3.6 MiB/s | 81.9 KiB | 00m00s [ 62/155] pcre2-0:10.43-2.fc41.1.x86_64 100% | 10.7 MiB/s | 242.1 KiB | 00m00s [ 63/155] ncurses-libs-0:6.4-12.2024012 100% | 10.8 MiB/s | 332.5 KiB | 00m00s [ 64/155] glibc-common-0:2.39.9000-18.f 100% | 13.3 MiB/s | 394.3 KiB | 00m00s [ 65/155] basesystem-0:11-20.fc40.noarc 100% | 399.4 KiB/s | 7.2 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libcom_err-0:1.47.0-5.fc40.x8 100% | 1.0 MiB/s | 25.4 KiB | 00m00s [118/155] krb5-libs-0:1.21.2-5.fc40.x86 100% | 18.3 MiB/s | 751.4 KiB | 00m00s [119/155] libverto-0:0.3.2-8.fc40.x86_6 100% | 1.1 MiB/s | 20.5 KiB | 00m00s [120/155] keyutils-libs-0:1.6.3-3.fc40. 100% | 1.4 MiB/s | 31.5 KiB | 00m00s [121/155] fedora-gpg-keys-0:41-0.2.noar 100% | 5.9 MiB/s | 121.8 KiB | 00m00s [122/155] fedora-repos-rawhide-0:41-0.2 100% | 494.7 KiB/s | 8.9 KiB | 00m00s [123/155] elfutils-debuginfod-client-0: 100% | 2.1 MiB/s | 38.2 KiB | 00m00s [124/155] elfutils-libs-0:0.191-7.fc41. 100% | 12.0 MiB/s | 258.1 KiB | 00m00s [125/155] p11-kit-trust-0:0.25.3-4.fc40 100% | 6.4 MiB/s | 131.5 KiB | 00m00s [126/155] alternatives-0:1.27-1.fc41.x8 100% | 2.2 MiB/s | 40.7 KiB | 00m00s [127/155] p11-kit-0:0.25.3-4.fc40.x86_6 100% | 16.0 MiB/s | 475.5 KiB | 00m00s [128/155] jansson-0:2.13.1-9.fc40.x86_6 100% | 2.2 MiB/s | 44.2 KiB | 00m00s [129/155] lua-libs-0:5.4.6-5.fc40.x86_6 100% | 6.4 MiB/s | 131.9 KiB | 00m00s 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MiB/s | 545.4 KiB | 00m00s -------------------------------------------------------------------------------- [155/155] Total 100% | 35.9 MiB/s | 53.3 MiB | 00m01s Running transaction [ 1/157] Verify package files 100% | 734.0 B/s | 155.0 B | 00m00s >>> Running pre-transaction scriptlet: filesystem-0:3.18-9.fc41.x86_64 >>> Stop pre-transaction scriptlet: filesystem-0:3.18-9.fc41.x86_64 [ 2/157] Prepare transaction 100% | 1.9 KiB/s | 155.0 B | 00m00s [ 3/157] Installing libgcc-0:14.1.1-4. 100% | 133.0 MiB/s | 272.3 KiB | 00m00s >>> Running post-install scriptlet: libgcc-0:14.1.1-4.fc41.x86_64 >>> Stop post-install scriptlet: libgcc-0:14.1.1-4.fc41.x86_64 [ 4/157] Installing crypto-policies-0: 100% | 15.9 MiB/s | 147.0 KiB | 00m00s >>> Running post-install scriptlet: crypto-policies-0:20240521-1.gitf71d135.fc41 >>> Stop post-install scriptlet: crypto-policies-0:20240521-1.gitf71d135.fc41.no [ 5/157] Installing fedora-release-ide 100% | 0.0 B/s | 952.0 B | 00m00s [ 6/157] Installing 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124.0 B | 00m00s [ 18/157] Installing ncurses-libs-0:6.4 100% | 157.8 MiB/s | 969.7 KiB | 00m00s >>> Running pre-install scriptlet: glibc-0:2.39.9000-18.fc41.x86_64 >>> Stop pre-install scriptlet: glibc-0:2.39.9000-18.fc41.x86_64 [ 19/157] Installing glibc-0:2.39.9000- 100% | 106.7 MiB/s | 6.7 MiB | 00m00s >>> Running post-install scriptlet: glibc-0:2.39.9000-18.fc41.x86_64 >>> Stop post-install scriptlet: glibc-0:2.39.9000-18.fc41.x86_64 [ 20/157] Installing bash-0:5.2.26-3.fc 100% | 263.3 MiB/s | 8.2 MiB | 00m00s >>> Running post-install scriptlet: bash-0:5.2.26-3.fc40.x86_64 >>> Stop post-install scriptlet: bash-0:5.2.26-3.fc40.x86_64 [ 21/157] Installing glibc-common-0:2.3 100% | 128.4 MiB/s | 1.0 MiB | 00m00s [ 22/157] Installing glibc-gconv-extra- 100% | 119.2 MiB/s | 7.9 MiB | 00m00s >>> Running post-install scriptlet: glibc-gconv-extra-0:2.39.9000-18.fc41.x86_64 >>> Stop post-install scriptlet: glibc-gconv-extra-0:2.39.9000-18.fc41.x86_64 [ 23/157] Installing zlib-ng-compat-0:2 100% | 131.6 MiB/s | 134.8 KiB | 00m00s [ 24/157] Installing bzip2-libs-0:1.0.8 100% | 79.9 MiB/s | 81.8 KiB | 00m00s [ 25/157] Installing xz-libs-1:5.4.6-3. 100% | 206.0 MiB/s | 210.9 KiB | 00m00s [ 26/157] Installing readline-0:8.2-8.f 100% | 239.9 MiB/s | 491.4 KiB | 00m00s [ 27/157] Installing libzstd-0:1.5.6-1. 100% | 256.9 MiB/s | 789.2 KiB | 00m00s [ 28/157] Installing elfutils-libelf-0: 100% | 292.3 MiB/s | 1.2 MiB | 00m00s [ 29/157] Installing libuuid-0:2.40.1-1 100% | 37.5 MiB/s | 38.4 KiB | 00m00s [ 30/157] Installing popt-0:1.19-6.fc40 100% | 28.0 MiB/s | 143.5 KiB | 00m00s [ 31/157] Installing libstdc++-0:14.1.1 100% | 251.1 MiB/s | 2.8 MiB | 00m00s [ 32/157] Installing libblkid-0:2.40.1- 100% | 126.8 MiB/s | 259.7 KiB | 00m00s [ 33/157] Installing libattr-0:2.5.2-3. 100% | 28.8 MiB/s | 29.5 KiB | 00m00s [ 34/157] Installing libacl-0:2.3.2-1.f 100% | 39.9 MiB/s | 40.8 KiB | 00m00s [ 35/157] Installing libxcrypt-0:4.4.36 100% | 129.7 MiB/s | 265.5 KiB | 00m00s [ 36/157] Installing gmp-1:6.3.0-1.fc41 100% | 262.2 MiB/s | 805.6 KiB | 00m00s [ 37/157] Installing libeconf-0:0.6.2-2 100% | 58.3 MiB/s | 59.7 KiB | 00m00s [ 38/157] Installing gdbm-libs-1:1.23-6 100% | 120.7 MiB/s | 123.6 KiB | 00m00s [ 39/157] Installing mpfr-0:4.2.1-4.fc4 100% | 202.6 MiB/s | 829.7 KiB | 00m00s [ 40/157] Installing gawk-0:5.3.0-3.fc4 100% | 172.8 MiB/s | 1.7 MiB | 00m00s [ 41/157] Installing dwz-0:0.15-6.fc40. 100% | 142.7 MiB/s | 292.3 KiB | 00m00s [ 42/157] Installing unzip-0:6.0-63.fc4 100% | 188.6 MiB/s | 386.3 KiB | 00m00s [ 43/157] Installing file-libs-0:5.45-5 100% | 472.9 MiB/s | 9.9 MiB | 00m00s [ 44/157] Installing file-0:5.45-5.fc41 100% | 102.6 MiB/s | 105.0 KiB | 00m00s [ 45/157] Installing libcap-ng-0:0.8.5- 100% | 69.4 MiB/s | 71.0 KiB | 00m00s [ 46/157] Installing audit-libs-0:4.0.1 100% | 160.8 MiB/s | 329.3 KiB | 00m00s [ 47/157] Installing pam-libs-0:1.6.1-3 100% | 134.2 MiB/s | 137.4 KiB | 00m00s [ 48/157] Installing libcap-0:2.70-1.fc 100% | 73.3 MiB/s | 225.2 KiB | 00m00s [ 49/157] Installing systemd-libs-0:256 100% | 252.8 MiB/s | 2.0 MiB | 00m00s [ 50/157] Installing libsmartcols-0:2.4 100% | 177.3 MiB/s | 181.5 KiB | 00m00s [ 51/157] Installing libsepol-0:3.6-3.f 100% | 261.4 MiB/s | 803.0 KiB | 00m00s [ 52/157] Installing lz4-libs-0:1.9.4-6 100% | 127.4 MiB/s | 130.5 KiB | 00m00s [ 53/157] Installing libcom_err-0:1.47. 100% | 66.7 MiB/s | 68.3 KiB | 00m00s [ 54/157] Installing alternatives-0:1.2 100% | 66.4 MiB/s | 68.0 KiB | 00m00s [ 55/157] Installing jansson-0:2.13.1-9 100% | 87.6 MiB/s | 89.7 KiB | 00m00s [ 56/157] Installing lua-libs-0:5.4.6-5 100% | 137.8 MiB/s | 282.3 KiB | 00m00s [ 57/157] Installing libtasn1-0:4.19.0- 100% | 173.3 MiB/s | 177.5 KiB | 00m00s [ 58/157] Installing libunistring-0:1.1 100% | 288.5 MiB/s | 1.7 MiB | 00m00s [ 59/157] Installing libidn2-0:2.3.7-1. 100% | 65.4 MiB/s | 335.0 KiB | 00m00s [ 60/157] Installing libpsl-0:0.21.5-3. 100% | 79.7 MiB/s | 81.6 KiB | 00m00s [ 61/157] Installing zstd-0:1.5.6-1.fc4 100% | 239.4 MiB/s | 1.7 MiB | 00m00s [ 62/157] Installing zip-0:3.0-40.fc40. 100% | 172.6 MiB/s | 707.1 KiB | 00m00s [ 63/157] Installing gdbm-1:1.23-6.fc40 100% | 113.7 MiB/s | 465.8 KiB | 00m00s [ 64/157] Installing cyrus-sasl-lib-0:2 100% | 254.6 MiB/s | 2.3 MiB | 00m00s [ 65/157] Installing libfdisk-0:2.40.1- 100% | 177.7 MiB/s | 363.9 KiB | 00m00s [ 66/157] Installing add-determinism-no 100% | 315.4 MiB/s | 2.5 MiB | 00m00s [ 67/157] Installing build-reproducibil 100% | 0.0 B/s | 1.0 KiB | 00m00s [ 68/157] Installing libxml2-0:2.12.7-1 100% | 242.9 MiB/s | 1.7 MiB | 00m00s [ 69/157] Installing bzip2-0:1.0.8-18.f 100% | 47.0 MiB/s | 96.2 KiB | 00m00s [ 70/157] Installing sqlite-libs-0:3.46 100% | 282.7 MiB/s | 1.4 MiB | 00m00s [ 71/157] Installing ed-0:1.20.2-1.fc41 100% | 145.7 MiB/s | 149.2 KiB | 00m00s [ 72/157] Installing elfutils-default-y 100% | 120.2 KiB/s | 2.0 KiB | 00m00s >>> Running post-install scriptlet: elfutils-default-yama-scope-0:0.191-7.fc41.n >>> Stop post-install scriptlet: elfutils-default-yama-scope-0:0.191-7.fc41.noar [ 73/157] Installing cpio-0:2.15-1.fc40 100% | 137.5 MiB/s | 1.1 MiB | 00m00s [ 74/157] Installing diffutils-0:3.10-5 100% | 176.2 MiB/s | 1.6 MiB | 00m00s [ 75/157] Installing libpkgconf-0:2.1.1 100% | 73.6 MiB/s | 75.3 KiB | 00m00s [ 76/157] Installing pkgconf-0:2.1.1-1. 100% | 41.7 MiB/s | 85.4 KiB | 00m00s [ 77/157] Installing keyutils-libs-0:1. 100% | 54.5 MiB/s | 55.8 KiB | 00m00s [ 78/157] Installing libverto-0:0.3.2-8 100% | 30.5 MiB/s | 31.3 KiB | 00m00s [ 79/157] Installing libgomp-0:14.1.1-4 100% | 254.4 MiB/s | 520.9 KiB | 00m00s [ 80/157] Installing libffi-0:3.4.6-1.f 100% | 81.8 MiB/s | 83.8 KiB | 00m00s [ 81/157] Installing p11-kit-0:0.25.3-4 100% | 146.3 MiB/s | 2.2 MiB | 00m00s [ 82/157] Installing p11-kit-trust-0:0. 100% | 19.2 MiB/s | 393.1 KiB | 00m00s >>> Running post-install scriptlet: p11-kit-trust-0:0.25.3-4.fc40.x86_64 >>> Stop post-install scriptlet: 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Installing util-linux-core-0: 100% | 135.0 MiB/s | 1.5 MiB | 00m00s [ 96/157] Installing patch-0:2.7.6-24.f 100% | 129.0 MiB/s | 264.3 KiB | 00m00s [ 97/157] Installing tar-2:1.35-3.fc40. 100% | 210.8 MiB/s | 3.0 MiB | 00m00s [ 98/157] Installing libsemanage-0:3.6- 100% | 96.1 MiB/s | 295.3 KiB | 00m00s [ 99/157] Installing shadow-utils-2:4.1 100% | 74.5 MiB/s | 4.2 MiB | 00m00s >>> Running pre-install scriptlet: libutempter-0:1.2.1-13.fc40.x86_64 >>> Stop pre-install scriptlet: libutempter-0:1.2.1-13.fc40.x86_64 [100/157] Installing libutempter-0:1.2. 100% | 29.2 MiB/s | 59.7 KiB | 00m00s [101/157] Installing pkgconf-m4-0:2.1.1 100% | 0.0 B/s | 14.3 KiB | 00m00s [102/157] Installing pkgconf-pkg-config 100% | 1.7 MiB/s | 1.8 KiB | 00m00s [103/157] Installing coreutils-common-0 100% | 248.7 MiB/s | 11.2 MiB | 00m00s [104/157] Installing openssl-libs-1:3.2 100% | 312.1 MiB/s | 7.8 MiB | 00m00s [105/157] Installing coreutils-0:9.5-2. 100% | 133.1 MiB/s | 5.6 MiB | 00m00s >>> Running pre-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-6.fc40.n >>> Stop pre-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-6.fc40.noar [106/157] Installing ca-certificates-0: 100% | 2.4 MiB/s | 2.3 MiB | 00m01s >>> Running post-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-6.fc40. >>> Stop post-install scriptlet: ca-certificates-0:2023.2.62_v7.0.401-6.fc40.noa [107/157] Installing krb5-libs-0:1.21.2 100% | 176.5 MiB/s | 2.3 MiB | 00m00s [108/157] Installing libarchive-0:3.7.4 100% | 223.8 MiB/s | 916.6 KiB | 00m00s [109/157] Installing libtirpc-0:1.3.4-1 100% | 99.9 MiB/s | 204.6 KiB | 00m00s [110/157] Installing gzip-0:1.13-1.fc40 100% | 95.4 MiB/s | 390.6 KiB | 00m00s [111/157] Installing authselect-libs-0: 100% | 81.4 MiB/s | 833.2 KiB | 00m00s [112/157] Installing authselect-0:1.5.0 100% | 51.4 MiB/s | 157.9 KiB | 00m00s [113/157] Installing cracklib-0:2.9.11- 100% | 34.9 MiB/s | 250.3 KiB | 00m00s [114/157] Installing libpwquality-0:1.4 100% | 52.5 MiB/s | 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00m00s [135/157] Installing zig-srpm-macros-0: 100% | 0.0 B/s | 1.7 KiB | 00m00s [136/157] Installing rust-srpm-macros-0 100% | 5.4 MiB/s | 5.6 KiB | 00m00s [137/157] Installing qt6-srpm-macros-0: 100% | 0.0 B/s | 732.0 B | 00m00s [138/157] Installing qt5-srpm-macros-0: 100% | 0.0 B/s | 776.0 B | 00m00s [139/157] Installing perl-srpm-macros-0 100% | 0.0 B/s | 1.1 KiB | 00m00s [140/157] Installing package-notes-srpm 100% | 0.0 B/s | 2.0 KiB | 00m00s [141/157] Installing openblas-srpm-macr 100% | 0.0 B/s | 392.0 B | 00m00s [142/157] Installing ocaml-srpm-macros- 100% | 0.0 B/s | 2.2 KiB | 00m00s [143/157] Installing kernel-srpm-macros 100% | 0.0 B/s | 2.3 KiB | 00m00s [144/157] Installing gnat-srpm-macros-0 100% | 0.0 B/s | 1.3 KiB | 00m00s [145/157] Installing ghc-srpm-macros-0: 100% | 0.0 B/s | 1.0 KiB | 00m00s [146/157] Installing fpc-srpm-macros-0: 100% | 0.0 B/s | 420.0 B | 00m00s [147/157] Installing ansible-srpm-macro 100% | 0.0 B/s | 36.2 KiB | 00m00s [148/157] Installing fonts-srpm-macros- 100% | 55.1 MiB/s | 56.5 KiB | 00m00s [149/157] Installing forge-srpm-macros- 100% | 39.4 MiB/s | 40.3 KiB | 00m00s [150/157] Installing go-srpm-macros-0:3 100% | 60.5 MiB/s | 62.0 KiB | 00m00s [151/157] Installing python-srpm-macros 100% | 50.1 MiB/s | 51.3 KiB | 00m00s [152/157] Installing redhat-rpm-config- 100% | 46.4 MiB/s | 190.0 KiB | 00m00s [153/157] Installing rpm-build-0:4.19.9 100% | 49.5 MiB/s | 202.7 KiB | 00m00s [154/157] Installing pyproject-srpm-mac 100% | 2.0 MiB/s | 2.1 KiB | 00m00s [155/157] Installing util-linux-0:2.40. 100% | 81.4 MiB/s | 3.7 MiB | 00m00s >>> Running post-install scriptlet: util-linux-0:2.40.1-1.fc41.x86_64 >>> Stop post-install scriptlet: util-linux-0:2.40.1-1.fc41.x86_64 [156/157] Installing which-0:2.21-41.fc 100% | 40.3 MiB/s | 82.4 KiB | 00m00s [157/157] Installing info-0:7.1-2.fc40. 100% | 279.6 KiB/s | 358.2 KiB | 00m01s >>> Running post-transaction scriptlet: filesystem-0:3.18-9.fc41.x86_64 >>> Stop post-transaction scriptlet: filesystem-0:3.18-9.fc41.x86_64 >>> Running post-transaction scriptlet: ca-certificates-0:2023.2.62_v7.0.401-6.f >>> Stop post-transaction scriptlet: ca-certificates-0:2023.2.62_v7.0.401-6.fc40 >>> Running post-transaction scriptlet: authselect-libs-0:1.5.0-5.fc41.x86_64 >>> Stop post-transaction scriptlet: authselect-libs-0:1.5.0-5.fc41.x86_64 >>> Running post-transaction scriptlet: rpm-0:4.19.91-8.fc41.x86_64 >>> Stop post-transaction scriptlet: rpm-0:4.19.91-8.fc41.x86_64 >>> Running trigger-install scriptlet: glibc-common-0:2.39.9000-18.fc41.x86_64 >>> Stop trigger-install scriptlet: glibc-common-0:2.39.9000-18.fc41.x86_64 >>> Running trigger-install scriptlet: info-0:7.1-2.fc40.x86_64 >>> Stop trigger-install scriptlet: info-0:7.1-2.fc40.x86_64 Warning: skipped PGP checks for 155 package(s). Finish: installing minimal buildroot with dnf5 Start: creating root cache Finish: creating root cache Finish: chroot init INFO: Installed packages: INFO: add-determinism-nopython-0.2.0-9.fc41.x86_64 alternatives-1.27-1.fc41.x86_64 ansible-srpm-macros-1-15.fc41.noarch audit-libs-4.0.1-2.fc41.x86_64 authselect-1.5.0-5.fc41.x86_64 authselect-libs-1.5.0-5.fc41.x86_64 basesystem-11-20.fc40.noarch bash-5.2.26-3.fc40.x86_64 binutils-2.42.50-11.fc41.x86_64 binutils-gold-2.42.50-11.fc41.x86_64 build-reproducibility-srpm-macros-0.2.0-9.fc41.noarch bzip2-1.0.8-18.fc40.x86_64 bzip2-libs-1.0.8-18.fc40.x86_64 ca-certificates-2023.2.62_v7.0.401-6.fc40.noarch coreutils-9.5-2.fc41.x86_64 coreutils-common-9.5-2.fc41.x86_64 cpio-2.15-1.fc40.x86_64 cracklib-2.9.11-5.fc40.x86_64 crypto-policies-20240521-1.gitf71d135.fc41.noarch curl-8.8.0-1.fc41.x86_64 cyrus-sasl-lib-2.1.28-22.fc41.x86_64 debugedit-5.0-16.fc41.x86_64 diffutils-3.10-5.fc40.x86_64 dwz-0.15-6.fc40.x86_64 ed-1.20.2-1.fc41.x86_64 efi-srpm-macros-5-11.fc40.noarch elfutils-0.191-7.fc41.x86_64 elfutils-debuginfod-client-0.191-7.fc41.x86_64 elfutils-default-yama-scope-0.191-7.fc41.noarch elfutils-libelf-0.191-7.fc41.x86_64 elfutils-libs-0.191-7.fc41.x86_64 fedora-gpg-keys-41-0.2.noarch fedora-release-41-0.13.noarch fedora-release-common-41-0.13.noarch fedora-release-identity-basic-41-0.13.noarch fedora-repos-41-0.2.noarch fedora-repos-rawhide-41-0.2.noarch file-5.45-5.fc41.x86_64 file-libs-5.45-5.fc41.x86_64 filesystem-3.18-9.fc41.x86_64 findutils-4.10.0-2.fc41.x86_64 fonts-srpm-macros-2.0.5-15.fc41.noarch forge-srpm-macros-0.3.1-1.fc41.noarch fpc-srpm-macros-1.3-12.fc40.noarch gawk-5.3.0-3.fc40.x86_64 gdb-minimal-14.2-10.fc41.x86_64 gdbm-1.23-6.fc40.x86_64 gdbm-libs-1.23-6.fc40.x86_64 ghc-srpm-macros-1.9.1-1.fc41.noarch glibc-2.39.9000-18.fc41.x86_64 glibc-common-2.39.9000-18.fc41.x86_64 glibc-gconv-extra-2.39.9000-18.fc41.x86_64 glibc-minimal-langpack-2.39.9000-18.fc41.x86_64 gmp-6.3.0-1.fc41.x86_64 gnat-srpm-macros-6-5.fc40.noarch go-srpm-macros-3.6.0-1.fc41.noarch grep-3.11-8.fc41.x86_64 gzip-1.13-1.fc40.x86_64 info-7.1-2.fc40.x86_64 jansson-2.13.1-9.fc40.x86_64 kernel-srpm-macros-1.0-23.fc41.noarch keyutils-libs-1.6.3-3.fc40.x86_64 krb5-libs-1.21.2-5.fc40.x86_64 libacl-2.3.2-1.fc40.x86_64 libarchive-3.7.4-1.fc41.x86_64 libattr-2.5.2-3.fc40.x86_64 libblkid-2.40.1-1.fc41.x86_64 libbrotli-1.1.0-3.fc40.x86_64 libcap-2.70-1.fc41.x86_64 libcap-ng-0.8.5-2.fc41.x86_64 libcom_err-1.47.0-5.fc40.x86_64 libcurl-8.8.0-1.fc41.x86_64 libeconf-0.6.2-2.fc41.x86_64 libevent-2.1.12-13.fc41.x86_64 libfdisk-2.40.1-1.fc41.x86_64 libffi-3.4.6-1.fc41.x86_64 libgcc-14.1.1-4.fc41.x86_64 libgomp-14.1.1-4.fc41.x86_64 libidn2-2.3.7-1.fc40.x86_64 libmount-2.40.1-1.fc41.x86_64 libnghttp2-1.62.0-1.fc41.x86_64 libnsl2-2.0.1-1.fc40.x86_64 libpkgconf-2.1.1-1.fc41.x86_64 libpsl-0.21.5-3.fc40.x86_64 libpwquality-1.4.5-9.fc40.x86_64 libselinux-3.6-5.fc41.x86_64 libsemanage-3.6-3.fc41.x86_64 libsepol-3.6-3.fc40.x86_64 libsmartcols-2.40.1-1.fc41.x86_64 libssh-0.10.6-6.fc41.x86_64 libssh-config-0.10.6-6.fc41.noarch libstdc++-14.1.1-4.fc41.x86_64 libtasn1-4.19.0-6.fc40.x86_64 libtirpc-1.3.4-1.rc3.fc41.x86_64 libtool-ltdl-2.4.7-11.fc41.x86_64 libunistring-1.1-7.fc41.x86_64 libutempter-1.2.1-13.fc40.x86_64 libuuid-2.40.1-1.fc41.x86_64 libverto-0.3.2-8.fc40.x86_64 libxcrypt-4.4.36-5.fc40.x86_64 libxml2-2.12.7-1.fc41.x86_64 libzstd-1.5.6-1.fc41.x86_64 lua-libs-5.4.6-5.fc40.x86_64 lua-srpm-macros-1-13.fc40.noarch lz4-libs-1.9.4-6.fc40.x86_64 mpfr-4.2.1-4.fc41.x86_64 ncurses-base-6.4-12.20240127.fc40.noarch ncurses-libs-6.4-12.20240127.fc40.x86_64 ocaml-srpm-macros-10-2.fc41.noarch openblas-srpm-macros-2-17.fc41.noarch openldap-2.6.8-1.fc41.x86_64 openssl-libs-3.2.2-1.fc41.x86_64 p11-kit-0.25.3-4.fc40.x86_64 p11-kit-trust-0.25.3-4.fc40.x86_64 package-notes-srpm-macros-0.5-11.fc40.noarch pam-1.6.1-3.fc41.x86_64 pam-libs-1.6.1-3.fc41.x86_64 patch-2.7.6-24.fc40.x86_64 pcre2-10.43-2.fc41.1.x86_64 pcre2-syntax-10.43-2.fc41.1.noarch perl-srpm-macros-1-53.fc40.noarch pkgconf-2.1.1-1.fc41.x86_64 pkgconf-m4-2.1.1-1.fc41.noarch pkgconf-pkg-config-2.1.1-1.fc41.x86_64 popt-1.19-6.fc40.x86_64 publicsuffix-list-dafsa-20240107-3.fc40.noarch pyproject-srpm-macros-1.12.1-1.fc41.noarch python-srpm-macros-3.12-312.fc39.noarch qt5-srpm-macros-5.15.14-1.fc41.noarch qt6-srpm-macros-6.7.1-1.fc41.noarch readline-8.2-8.fc40.x86_64 redhat-rpm-config-292-1.fc41.noarch rpm-4.19.91-8.fc41.x86_64 rpm-build-4.19.91-8.fc41.x86_64 rpm-build-libs-4.19.91-8.fc41.x86_64 rpm-libs-4.19.91-8.fc41.x86_64 rpm-sequoia-1.6.0-3.fc41.x86_64 rust-srpm-macros-26.3-1.fc41.noarch sed-4.9-1.fc40.x86_64 setup-2.15.0-3.fc41.noarch shadow-utils-4.15.1-5.fc41.x86_64 sqlite-libs-3.46.0-1.fc41.x86_64 systemd-libs-256~rc3-4.fc41.x86_64 tar-1.35-3.fc40.x86_64 unzip-6.0-63.fc40.x86_64 util-linux-2.40.1-1.fc41.x86_64 util-linux-core-2.40.1-1.fc41.x86_64 which-2.21-41.fc40.x86_64 xxhash-libs-0.8.2-2.fc40.x86_64 xz-5.4.6-3.fc41.x86_64 xz-libs-5.4.6-3.fc41.x86_64 zig-srpm-macros-1-2.fc40.noarch zip-3.0-40.fc40.x86_64 zlib-ng-compat-2.1.6-6.fc41.x86_64 zstd-1.5.6-1.fc41.x86_64 Start: buildsrpm Start: rpmbuild -bs Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1717718400 Wrote: /builddir/build/SRPMS/mrchem-1.1.3-4.fc41.src.rpm Finish: rpmbuild -bs cp: preserving permissions for ‘/var/lib/copr-rpmbuild/results/chroot_scan/var/lib/mock/fedora-rawhide-x86_64-1717749984.660041/root/var/log’: No such file or directory INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-x86_64-1717749984.660041/root/var/log/dnf5.log Finish: buildsrpm INFO: Done(/var/lib/copr-rpmbuild/workspace/workdir-_8e0gjvv/mrchem/mrchem.spec) Config(child) 0 minutes 22 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot INFO: Start(/var/lib/copr-rpmbuild/results/mrchem-1.1.3-4.fc41.src.rpm) Config(fedora-rawhide-x86_64) Start: chroot init INFO: mounting tmpfs at /var/lib/mock/fedora-rawhide-x86_64-1717749984.660041/root. INFO: calling preinit hooks INFO: enabled root cache Start: unpacking root cache Finish: unpacking root cache INFO: enabled package manager cache Start: cleaning package manager metadata Finish: cleaning package manager metadata INFO: enabled HW Info plugin INFO: Buildroot is handled by package management from host and used with --installroot: rpm-4.19.1.1-1.fc39.x86_64 rpm-sequoia-1.6.0-1.fc39.x86_64 python3-dnf-4.19.2-1.fc39.noarch python3-dnf-plugins-core-4.6.0-1.fc39.noarch yum-4.19.2-1.fc39.noarch dnf5-5.1.17-1.fc39.x86_64 dnf5-plugins-5.1.17-1.fc39.x86_64 Finish: chroot init Start: build phase for mrchem-1.1.3-4.fc41.src.rpm Start: build setup for mrchem-1.1.3-4.fc41.src.rpm Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1717718400 Wrote: /builddir/build/SRPMS/mrchem-1.1.3-4.fc41.src.rpm Updating and loading repositories: fedora 100% | 190.2 KiB/s | 5.7 KiB | 00m00s Copr repository 100% | 5.1 KiB/s | 2.2 KiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 65.5 KiB/s | 4.1 KiB | 00m00s Copr repository 100% | 20.1 MiB/s | 3.7 MiB | 00m00s Additional repo http_kojipkgs_fedorapr 100% | 49.1 MiB/s | 17.3 MiB | 00m00s Repositories loaded. Package Arch Version Repository Size Installing: catch2-devel x86_64 2.13.10-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 952.8 KiB cmake x86_64 3.28.3-5.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 31.5 MiB eigen3-devel noarch 3.4.0-15.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.4 MiB gcc-c++ x86_64 14.1.1-4.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 38.1 MiB json-devel x86_64 3.11.3-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.0 MiB make x86_64 1:4.4.1-6.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.8 MiB mrcpp-devel x86_64 1.5.0-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 272.0 KiB python3-devel x86_64 3.12.3-3.fc41 copr_base 1.2 MiB xcfun-devel x86_64 2.1.1-12.fc41 copr_base 117.4 KiB Installing dependencies: add-determinism x86_64 0.2.0-9.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.6 MiB annobin-docs noarch 12.54-2.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 96.2 KiB annobin-plugin-gcc x86_64 12.54-2.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 974.4 KiB cmake-data noarch 3.28.3-5.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 8.0 MiB cmake-filesystem x86_64 3.28.3-5.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B cmake-rpm-macros noarch 3.28.3-5.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 7.5 KiB cpp x86_64 14.1.1-4.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 35.0 MiB emacs-filesystem noarch 1:30.0-2.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 0.0 B expat x86_64 2.6.2-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 280.8 KiB gc x86_64 8.2.2-6.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 258.7 KiB gcc x86_64 14.1.1-4.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 104.0 MiB gcc-plugin-annobin x86_64 14.1.1-4.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 57.1 KiB glibc-devel x86_64 2.39.9000-18.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 37.7 KiB glibc-headers-x86 noarch 2.39.9000-18.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 2.2 MiB guile30 x86_64 3.0.9-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 52.7 MiB jsoncpp x86_64 1.9.5-7.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 253.4 KiB kernel-headers x86_64 6.10.0-0.rc2.24.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 6.3 MiB libb2 x86_64 0.98.1-11.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 42.2 KiB libmpc x86_64 1.3.1-5.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 164.7 KiB libstdc++-devel x86_64 14.1.1-4.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 15.4 MiB libuv x86_64 1:1.48.0-1.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 538.8 KiB libxcrypt-devel x86_64 4.4.36-5.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 30.3 KiB mpdecimal x86_64 2.5.1-9.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 200.9 KiB mrcpp x86_64 1.5.0-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.6 MiB mrcpp-data noarch 1.5.0-4.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 54.5 MiB pyproject-rpm-macros noarch 1.12.1-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 99.6 KiB python-pip-wheel noarch 24.0-4.fc41 copr_base 1.5 MiB python-rpm-macros noarch 3.12-312.fc39 copr_base 21.3 KiB python3 x86_64 3.12.3-3.fc41 copr_base 31.5 KiB python3-libs x86_64 3.12.3-3.fc41 copr_base 40.9 MiB python3-packaging noarch 24.0-2.fc41~bootstrap copr_base 424.8 KiB python3-rpm-generators noarch 14-10.fc40 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 81.7 KiB python3-rpm-macros noarch 3.12-312.fc39 copr_base 6.5 KiB rhash x86_64 1.4.4-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 349.9 KiB tzdata noarch 2024a-8.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 1.7 MiB vim-filesystem noarch 2:9.1.452-1.fc41 http_kojipkgs_fedoraproject_org_repos_rawhide_latest_basearch 40.0 B xcfun x86_64 2.1.1-12.fc41 copr_base 2.8 MiB Transaction Summary: Installing: 46 packages Total size of inbound packages is 134 MiB. Need to download 134 MiB. After this operation 416 MiB will be used (install 416 MiB, remove 0 B). [ 1/46] catch2-devel-0:2.13.10-4.fc40.x 100% | 2.4 MiB/s | 197.3 KiB | 00m00s [ 2/46] eigen3-devel-0:3.4.0-15.fc40.no 100% | 7.7 MiB/s | 1.1 MiB | 00m00s [ 3/46] json-devel-0:3.11.3-1.fc41.x86_ 100% | 2.7 MiB/s | 156.6 KiB | 00m00s [ 4/46] cmake-0:3.28.3-5.fc41.x86_64 100% | 34.9 MiB/s | 9.6 MiB | 00m00s [ 5/46] mrcpp-devel-0:1.5.0-4.fc40.x86_ 100% | 2.8 MiB/s | 57.4 KiB | 00m00s [ 6/46] make-1:4.4.1-6.fc40.x86_64 100% | 4.0 MiB/s | 580.0 KiB | 00m00s [ 7/46] python3-devel-0:3.12.3-3.fc41.x 100% | 4.6 MiB/s | 275.5 KiB | 00m00s [ 8/46] python3-0:3.12.3-3.fc41.x86_64 100% | 2.7 MiB/s | 27.8 KiB | 00m00s [ 9/46] xcfun-devel-0:2.1.1-12.fc41.x86 100% | 1.5 MiB/s | 37.4 KiB | 00m00s [10/46] python-rpm-macros-0:3.12-312.fc 100% | 1.7 MiB/s | 15.4 KiB | 00m00s [11/46] python3-rpm-macros-0:3.12-312.f 100% | 283.5 KiB/s | 10.5 KiB | 00m00s [12/46] gcc-c++-0:14.1.1-4.fc41.x86_64 100% | 39.8 MiB/s | 14.2 MiB | 00m00s [13/46] cmake-filesystem-0:3.28.3-5.fc4 100% | 563.7 KiB/s | 18.0 KiB | 00m00s [14/46] python3-libs-0:3.12.3-3.fc41.x8 100% | 60.9 MiB/s | 8.8 MiB | 00m00s [15/46] mrcpp-0:1.5.0-4.fc40.x86_64 100% | 3.7 MiB/s | 519.8 KiB | 00m00s [16/46] guile30-0:3.0.9-1.fc41.x86_64 100% | 49.4 MiB/s | 8.2 MiB | 00m00s [17/46] gc-0:8.2.2-6.fc40.x86_64 100% | 5.1 MiB/s | 110.2 KiB | 00m00s [18/46] libstdc++-devel-0:14.1.1-4.fc41 100% | 6.0 MiB/s | 2.6 MiB | 00m00s [19/46] libmpc-0:1.3.1-5.fc40.x86_64 100% | 2.3 MiB/s | 71.1 KiB | 00m00s [20/46] annobin-plugin-gcc-0:12.54-2.fc 100% | 7.2 MiB/s | 964.7 KiB | 00m00s [21/46] gcc-plugin-annobin-0:14.1.1-4.f 100% | 2.3 MiB/s | 50.7 KiB | 00m00s [22/46] mrcpp-data-0:1.5.0-4.fc40.noarc 100% | 32.2 MiB/s | 28.8 MiB | 00m01s [23/46] glibc-devel-0:2.39.9000-18.fc41 100% | 5.4 MiB/s | 122.3 KiB | 00m00s [24/46] cmake-rpm-macros-0:3.28.3-5.fc4 100% | 1.0 MiB/s | 17.5 KiB | 00m00s [25/46] gcc-0:14.1.1-4.fc41.x86_64 100% | 48.8 MiB/s | 37.0 MiB | 00m01s [26/46] expat-0:2.6.2-1.fc41.x86_64 100% | 4.8 MiB/s | 113.2 KiB | 00m00s [27/46] cmake-data-0:3.28.3-5.fc41.noar 100% | 16.0 MiB/s | 1.8 MiB | 00m00s [28/46] jsoncpp-0:1.9.5-7.fc40.x86_64 100% | 5.4 MiB/s | 99.3 KiB | 00m00s [29/46] libuv-1:1.48.0-1.fc40.x86_64 100% | 9.9 MiB/s | 252.4 KiB | 00m00s [30/46] rhash-0:1.4.4-1.fc41.x86_64 100% | 9.6 MiB/s | 195.8 KiB | 00m00s [31/46] annobin-docs-0:12.54-2.fc41.noa 100% | 4.9 MiB/s | 89.8 KiB | 00m00s [32/46] add-determinism-0:0.2.0-9.fc41. 100% | 18.8 MiB/s | 906.5 KiB | 00m00s [33/46] libb2-0:0.98.1-11.fc40.x86_64 100% | 1.2 MiB/s | 25.5 KiB | 00m00s [34/46] mpdecimal-0:2.5.1-9.fc40.x86_64 100% | 4.8 MiB/s | 88.6 KiB | 00m00s [35/46] python-pip-wheel-0:24.0-4.fc41. 100% | 61.5 MiB/s | 1.5 MiB | 00m00s [36/46] tzdata-0:2024a-8.fc41.noarch 100% | 16.2 MiB/s | 430.8 KiB | 00m00s [37/46] pyproject-rpm-macros-0:1.12.1-1 100% | 2.4 MiB/s | 40.9 KiB | 00m00s [38/46] python3-rpm-generators-0:14-10. 100% | 1.8 MiB/s | 29.6 KiB | 00m00s [39/46] python3-packaging-0:24.0-2.fc41 100% | 11.4 MiB/s | 116.9 KiB | 00m00s [40/46] glibc-headers-x86-0:2.39.9000-1 100% | 15.6 MiB/s | 542.3 KiB | 00m00s [41/46] xcfun-0:2.1.1-12.fc41.x86_64 100% | 2.3 MiB/s | 687.0 KiB | 00m00s [42/46] kernel-headers-0:6.10.0-0.rc2.2 100% | 23.4 MiB/s | 1.5 MiB | 00m00s [43/46] libxcrypt-devel-0:4.4.36-5.fc40 100% | 1.6 MiB/s | 28.6 KiB | 00m00s [44/46] emacs-filesystem-1:30.0-2.fc41. 100% | 417.3 KiB/s | 7.1 KiB | 00m00s [45/46] vim-filesystem-2:9.1.452-1.fc41 100% | 996.0 KiB/s | 16.9 KiB | 00m00s [46/46] cpp-0:14.1.1-4.fc41.x86_64 100% | 9.2 MiB/s | 11.9 MiB | 00m01s -------------------------------------------------------------------------------- [46/46] Total 100% | 53.3 MiB/s | 133.7 MiB | 00m03s Running transaction [ 1/48] Verify package files 100% | 103.0 B/s | 46.0 B | 00m00s [ 2/48] Prepare transaction 100% | 396.0 B/s | 46.0 B | 00m00s [ 3/48] Installing cmake-filesystem-0:3 100% | 2.3 MiB/s | 7.1 KiB | 00m00s [ 4/48] Installing libmpc-0:1.3.1-5.fc4 100% | 81.2 MiB/s | 166.2 KiB | 00m00s [ 5/48] Installing python-rpm-macros-0: 100% | 21.5 MiB/s | 22.1 KiB | 00m00s [ 6/48] Installing python3-rpm-macros-0 100% | 6.6 MiB/s | 6.8 KiB | 00m00s [ 7/48] Installing mrcpp-data-0:1.5.0-4 100% | 347.7 MiB/s | 54.6 MiB | 00m00s [ 8/48] Installing mrcpp-0:1.5.0-4.fc40 100% | 224.1 MiB/s | 1.6 MiB | 00m00s [ 9/48] Installing expat-0:2.6.2-1.fc41 100% | 69.1 MiB/s | 282.9 KiB | 00m00s [10/48] Installing libstdc++-devel-0:14 100% | 222.1 MiB/s | 15.5 MiB | 00m00s [11/48] Installing pyproject-rpm-macros 100% | 49.6 MiB/s | 101.6 KiB | 00m00s [12/48] Installing cpp-0:14.1.1-4.fc41. 100% | 309.4 MiB/s | 35.0 MiB | 00m00s [13/48] Installing vim-filesystem-2:9.1 100% | 2.3 MiB/s | 4.7 KiB | 00m00s [14/48] Installing emacs-filesystem-1:3 100% | 265.6 KiB/s | 544.0 B | 00m00s [15/48] Installing kernel-headers-0:6.1 100% | 117.2 MiB/s | 6.4 MiB | 00m00s [16/48] Installing glibc-headers-x86-0: 100% | 95.1 MiB/s | 2.3 MiB | 00m00s [17/48] Installing libxcrypt-devel-0:4. 100% | 15.9 MiB/s | 32.6 KiB | 00m00s [18/48] Installing glibc-devel-0:2.39.9 100% | 10.1 MiB/s | 41.4 KiB | 00m00s [19/48] Installing tzdata-0:2024a-8.fc4 100% | 28.1 MiB/s | 1.9 MiB | 00m00s [20/48] Installing python-pip-wheel-0:2 100% | 509.3 MiB/s | 1.5 MiB | 00m00s [21/48] Installing mpdecimal-0:2.5.1-9. 100% | 98.6 MiB/s | 202.0 KiB | 00m00s [22/48] Installing libb2-0:0.98.1-11.fc 100% | 8.5 MiB/s | 43.3 KiB | 00m00s [23/48] Installing python3-libs-0:3.12. 100% | 204.6 MiB/s | 41.3 MiB | 00m00s [24/48] Installing python3-0:3.12.3-3.f 100% | 32.5 MiB/s | 33.2 KiB | 00m00s [25/48] Installing cmake-rpm-macros-0:3 100% | 7.9 MiB/s | 8.1 KiB | 00m00s [26/48] Installing python3-packaging-0: 100% | 106.3 MiB/s | 435.5 KiB | 00m00s [27/48] Installing python3-rpm-generato 100% | 81.0 MiB/s | 82.9 KiB | 00m00s [28/48] Installing xcfun-0:2.1.1-12.fc4 100% | 308.3 MiB/s | 2.8 MiB | 00m00s [29/48] Installing annobin-docs-0:12.54 100% | 95.0 MiB/s | 97.3 KiB | 00m00s [30/48] Installing rhash-0:1.4.4-1.fc41 100% | 86.7 MiB/s | 355.2 KiB | 00m00s [31/48] Installing libuv-1:1.48.0-1.fc4 100% | 176.3 MiB/s | 541.6 KiB | 00m00s [32/48] Installing jsoncpp-0:1.9.5-7.fc 100% | 124.5 MiB/s | 254.9 KiB | 00m00s [33/48] Installing gc-0:8.2.2-6.fc40.x8 100% | 63.8 MiB/s | 261.2 KiB | 00m00s [34/48] Installing guile30-0:3.0.9-1.fc 100% | 318.1 MiB/s | 52.8 MiB | 00m00s [35/48] Installing make-1:4.4.1-6.fc40. 100% | 180.0 MiB/s | 1.8 MiB | 00m00s [36/48] Installing gcc-0:14.1.1-4.fc41. 100% | 300.7 MiB/s | 104.1 MiB | 00m00s >>> Running trigger-install scriptlet: redhat-rpm-config-0:292-1.fc41.noarch >>> Stop trigger-install scriptlet: redhat-rpm-config-0:292-1.fc41.noarch [37/48] Installing cmake-data-0:3.28.3- 100% | 58.9 MiB/s | 8.5 MiB | 00m00s [38/48] Installing cmake-0:3.28.3-5.fc4 100% | 302.9 MiB/s | 31.5 MiB | 00m00s [39/48] Installing xcfun-devel-0:2.1.1- 100% | 40.0 MiB/s | 122.7 KiB | 00m00s [40/48] Installing gcc-c++-0:14.1.1-4.f 100% | 304.9 MiB/s | 38.1 MiB | 00m00s [41/48] Installing annobin-plugin-gcc-0 100% | 36.7 MiB/s | 976.1 KiB | 00m00s >>> Running trigger-install scriptlet: redhat-rpm-config-0:292-1.fc41.noarch >>> Stop trigger-install scriptlet: redhat-rpm-config-0:292-1.fc41.noarch [42/48] Installing gcc-plugin-annobin-0 100% | 2.1 MiB/s | 58.6 KiB | 00m00s >>> Running trigger-install scriptlet: redhat-rpm-config-0:292-1.fc41.noarch >>> Stop trigger-install scriptlet: redhat-rpm-config-0:292-1.fc41.noarch [43/48] Installing python3-devel-0:3.12 100% | 85.1 MiB/s | 1.3 MiB | 00m00s [44/48] Installing add-determinism-0:0. 100% | 256.5 MiB/s | 2.6 MiB | 00m00s [45/48] Installing json-devel-0:3.11.3- 100% | 143.1 MiB/s | 1.0 MiB | 00m00s [46/48] Installing mrcpp-devel-0:1.5.0- 100% | 47.2 MiB/s | 290.0 KiB | 00m00s [47/48] Installing catch2-devel-0:2.13. 100% | 134.0 MiB/s | 960.8 KiB | 00m00s [48/48] Installing eigen3-devel-0:3.4.0 100% | 34.3 MiB/s | 8.5 MiB | 00m00s >>> Running trigger-install scriptlet: glibc-common-0:2.39.9000-18.fc41.x86_64 >>> Stop trigger-install scriptlet: glibc-common-0:2.39.9000-18.fc41.x86_64 >>> Running trigger-install scriptlet: info-0:7.1-2.fc40.x86_64 >>> Stop trigger-install scriptlet: info-0:7.1-2.fc40.x86_64 Warning: skipped PGP checks for 46 package(s). Finish: build setup for mrchem-1.1.3-4.fc41.src.rpm Start: rpmbuild mrchem-1.1.3-4.fc41.src.rpm Building target platforms: x86_64 Building for target x86_64 setting SOURCE_DATE_EPOCH=1717718400 Executing(%mkbuilddir): /bin/sh -e /var/tmp/rpm-tmp.syRvpk + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + test -d /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/rm -rf /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build/SPECPARTS + RPM_EC=0 ++ jobs -p + exit 0 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.qvAIAa + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + cd /builddir/build/BUILD/mrchem-1.1.3-build + rm -rf mrchem-1.1.3 + /usr/lib/rpm/rpmuncompress -x /builddir/build/SOURCES/mrchem-1.1.3.tar.gz + STATUS=0 + '[' 0 -ne 0 ']' + cd mrchem-1.1.3 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . Patch #0 (mrchem-1.0.2-eigen3.patch): + echo 'Patch #0 (mrchem-1.0.2-eigen3.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .eigen3 --fuzz=0 patching file external/upstream/fetch_eigen3.cmake Patch #1 (mrchem-1.0.2-pythonpath.patch): + echo 'Patch #1 (mrchem-1.0.2-pythonpath.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .pythonpath --fuzz=0 patching file python/mrchem.in Patch #2 (mrchem-1.1.0-rpath.patch): + echo 'Patch #2 (mrchem-1.1.0-rpath.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .rpath --fuzz=0 patching file src/CMakeLists.txt Patch #3 (mrchem-1.1.2-object.patch): + echo 'Patch #3 (mrchem-1.1.2-object.patch):' + /usr/bin/patch --no-backup-if-mismatch -f -p1 -b --suffix .object --fuzz=0 patching file src/CMakeLists.txt + rm -rf external/catch/ + RPM_EC=0 ++ jobs -p + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.HHuy8l + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd mrchem-1.1.3 + export 'CXXFLAGS=-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2' + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2' + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + /usr/bin/cmake -S . -B redhat-linux-build -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_DO_STRIP:BOOL=OFF -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -DENABLE_ARCH_FLAGS=OFF -DENABLE_OPENMP=ON -- The CXX compiler identification is GNU 14.1.1 -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- CXXFLAGS is set to '-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2'. -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: CXX -- Found nlohmann_json: /usr/include;/usr/include (found version 3.11.3) -- Found XCFun: /usr/lib64/libxcfun.so.2 (found version 2.1.1) -- Using Eigen3: /usr (version 3.4.0) -- MRCPP built with OpenMP support (found version "4.5") -- Found MRCPP: /usr/lib64/libmrcpp.so.1 (found version 1.5.0) -- Found Python3: /usr/bin/python3.12 (found version "3.12.3") found components: Interpreter -- Setting (unspecified) option PYMOD_INSTALL_LIBDIR: python -- Found packages: * Eigen3 (required version >= 3.3) * OpenMP * Python3 -- Configuring done (1.0s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_C_FLAGS_RELEASE CMAKE_Fortran_FLAGS_RELEASE CMAKE_INSTALL_DO_STRIP INCLUDE_INSTALL_DIR LIB_INSTALL_DIR LIB_SUFFIX SHARE_INSTALL_PREFIX SYSCONF_INSTALL_DIR -- Build files have been written to: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build + /usr/bin/cmake --build redhat-linux-build -j2 --verbose Change Dir: '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' Run Build Command(s): /usr/bin/cmake -E env VERBOSE=1 /usr/bin/gmake -f Makefile -j2 /usr/bin/cmake -S/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 -B/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/CMakeFiles /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build//CMakeFiles/progress.marks /usr/bin/gmake -f CMakeFiles/Makefile2 all gmake[1]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/gmake -f CMakeFiles/mrchem-info.dir/build.make CMakeFiles/mrchem-info.dir/depend /usr/bin/gmake -f python/CMakeFiles/mrchem-python.dir/build.make python/CMakeFiles/mrchem-python.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/CMakeFiles/mrchem-info.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python/CMakeFiles/mrchem-python.dir/DependInfo.cmake "--color=" gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/gmake -f CMakeFiles/mrchem-info.dir/build.make CMakeFiles/mrchem-info.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/gmake -f python/CMakeFiles/mrchem-python.dir/build.make python/CMakeFiles/mrchem-python.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 1%] Generating version.h cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/cmake/custom && /usr/bin/cmake -DINPUT_DIR=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 -DTARGET_DIR=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -DCMAKE_SYSTEM=Linux-6.6.13-200.fc39.x86_64 -DCMAKE_SYSTEM_PROCESSOR=x86_64 -DCMAKE_GENERATOR=Unix\ Makefiles -DCMAKE_BUILD_TYPE=Release -DCMAKE_CXX_COMPILER=/usr/bin/g++ -DCMAKE_CXX_COMPILER_VERSION=14.1.1 -DMRCHEM_VERSION=1.1.3 -DMW_FILTER_SOURCE_DIR= -DMW_FILTER_INSTALL_DIR= -P /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/cmake/custom/binary-info.cmake [ 2%] Copy /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/mrchem to /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/lib/python/mrchem cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python && /usr/bin/cmake -E copy /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/mrchem/*.py /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/lib/python/mrchem -- MRChem version: 1.1.3 -- Git branch: unknown -- Git last commit hash: unknown -- Git last commit author: unknown -- Git last commit date: unknown /usr/bin/cmake -E touch_nocreate /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/version.h.in cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/python && /usr/bin/cmake -E copy_directory /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/mrchem/input_parser /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/lib/python/mrchem/input_parser gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 2%] Built target mrchem-info /usr/bin/gmake -f src/CMakeFiles/mrchem.dir/build.make src/CMakeFiles/mrchem.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src/CMakeFiles/mrchem.dir/DependInfo.cmake "--color=" [ 2%] Built target mrchem-python gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/gmake -f src/CMakeFiles/mrchem.dir/build.make src/CMakeFiles/mrchem.dir/build gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 3%] Building CXX object src/CMakeFiles/mrchem.dir/parallel.cpp.o [ 3%] Building CXX object src/CMakeFiles/mrchem.dir/driver.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/parallel.cpp.o -MF CMakeFiles/mrchem.dir/parallel.cpp.o.d -o CMakeFiles/mrchem.dir/parallel.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/driver.cpp.o -MF CMakeFiles/mrchem.dir/driver.cpp.o.d -o CMakeFiles/mrchem.dir/driver.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp: In function ‘void mrchem::mpi::distribute(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp:237:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 237 | for (int i = 0; i < Phi.size(); i++) Phi[i].setRankID(i % mpi::orb_size); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp: In function ‘mrchem::OrbitalChunk mrchem::mpi::get_my_chunk(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/parallel.cpp:250:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 250 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 4%] Building CXX object src/CMakeFiles/mrchem.dir/mrenv.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrenv.cpp.o -MF CMakeFiles/mrchem.dir/mrenv.cpp.o.d -o CMakeFiles/mrchem.dir/mrenv.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrenv.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:72: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp: In function ‘void mrchem::driver::scf::calc_properties(const nlohmann::json_abi_v3_11_3::json&, mrchem::Molecule&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:466:11: warning: unused variable ‘F_mat’ [-Wunused-variable] 466 | auto &F_mat = mol.getFockMatrix(); | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp: In function ‘void mrchem::driver::scf::plot_quantities(const nlohmann::json_abi_v3_11_3::json&, mrchem::Molecule&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/driver.cpp:659:32: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 659 | for (auto i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 5%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/HydrogenFunction.cpp [ 6%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp: In member function ‘virtual double mrchem::NuclearFunction::evalf(mrcpp::Coord<3>&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp:40:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 40 | for (int i = 0; i < this->nuclei.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp: In member function ‘virtual bool mrchem::NuclearFunction::isZeroOnInterval(const double*, const double*) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearFunction.cpp:65:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 65 | for (int i = 0; i < this->nuclei.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~ [ 7%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/NuclearGradientFunction.cpp [ 8%] Building CXX object src/CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o -MF CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o.d -o CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/analyticfunctions/CUBEfunction.cpp [ 9%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/chemistry/chemistry_utils.cpp [ 10%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/chemistry/PeriodicTable.cpp [ 11%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/chemistry/Molecule.cpp [ 12%] Building CXX object src/CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o -MF CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o.d -o CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/chemistry/PhysicalConstants.cpp [ 13%] Building CXX object src/CMakeFiles/mrchem.dir/environment/Cavity.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/environment/Cavity.cpp.o -MF CMakeFiles/mrchem.dir/environment/Cavity.cpp.o.d -o CMakeFiles/mrchem.dir/environment/Cavity.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In function ‘double mrchem::detail::gradCavity(mrcpp::Coord<3>&, int, const std::vector >&, const std::vector&, const std::vector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:65:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 65 | for (int i = 0; i < centers.size(); ++i) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In constructor ‘mrchem::Cavity::Cavity(const std::vector >&, const std::vector&, const std::vector&, const std::vector&, const std::vector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:107:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 107 | for (auto i = 0; i < this->radii_0.size(); ++i) { this->radii.push_back(this->radii_0[i] * this->alphas[i] + this->betas[i] * this->sigmas[i]); } | ~~^~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In member function ‘virtual double mrchem::Cavity::evalf(mrcpp::Coord<3>&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:134:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 134 | for (int i = 0; i < centers.size(); i++) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp: In member function ‘virtual bool mrchem::Cavity::isZeroOnInterval(const double*, const double*) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Cavity.cpp:157:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 157 | for (int k = 0; k < this->centers.size(); ++k) { | ~~^~~~~~~~~~~~~~~~~~~~~~ [ 14%] Building CXX object src/CMakeFiles/mrchem.dir/environment/Permittivity.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/environment/Permittivity.cpp.o -MF CMakeFiles/mrchem.dir/environment/Permittivity.cpp.o.d -o CMakeFiles/mrchem.dir/environment/Permittivity.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Permittivity.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Permittivity.cpp: In member function ‘void mrchem::Permittivity::printParameters() const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/Permittivity.cpp:84:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 84 | for (auto i = 0; i < coords.size(); i++) { | ~~^~~~~~~~~~~~~~~ [ 15%] Building CXX object src/CMakeFiles/mrchem.dir/environment/SCRF.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/environment/SCRF.cpp.o -MF CMakeFiles/mrchem.dir/environment/SCRF.cpp.o.d -o CMakeFiles/mrchem.dir/environment/SCRF.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/environment/SCRF.cpp [ 16%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Factory.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Factory.h:31, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Factory.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ [ 17%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:32: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp: In member function ‘mrcpp::FunctionTreeVector<3> mrdft::MRDFT::evaluate(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:71:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 71 | for (auto i = 0; i < xcInpVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:150:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 150 | for (auto i = 0; i < ctrOutVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:167:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 167 | for (auto i = 0; i < potOutVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.cpp:81:9: warning: unused variable ‘nFcs’ [-Wunused-variable] 81 | int nFcs = functional().getXCOutputLength(); | ^~~~ [ 18%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Functional.cpp [ 19%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/LDA.cpp [ 20%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinLDA.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/LDA.cpp: In member function ‘virtual void mrdft::LDA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/LDA.cpp:95:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘const int’ [-Wsign-compare] 95 | if (inp_vec.size() != this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinLDA.cpp: In member function ‘virtual void mrdft::SpinLDA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinLDA.cpp:102:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 102 | if (inp_vec.size() != 2 * this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ [ 21%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/GGA.cpp [ 22%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinGGA.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/GGA.cpp: In member function ‘virtual void mrdft::GGA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/GGA.cpp:103:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘const int’ [-Wsign-compare] 103 | if (inp_vec.size() != this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinGGA.cpp: In member function ‘virtual void mrdft::SpinGGA::preprocess(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/SpinGGA.cpp:111:24: warning: comparison of integer expressions of different signedness: ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 111 | if (inp_vec.size() != 2 * this->order) MSG_ERROR("Invalid input length"); | ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~ [ 23%] Building CXX object src/CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o -MF CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o.d -o CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp [ 24%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/QMFunction.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp: In function ‘std::vector*> mrdft::xc_utils::fetch_nodes(int, mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:129:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 129 | for (auto i = 0; i < inp_trees.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp: In function ‘Eigen::MatrixXd mrdft::xc_utils::compress_nodes(std::vector*>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:151:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 151 | for (auto i = 0; i < nNodes; i++) { | ~~^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp: In function ‘void mrdft::xc_utils::expand_nodes(std::vector*>&, Eigen::MatrixXd&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:173:25: warning: comparison of integer expressions of different signedness: ‘Eigen::Index’ {aka ‘long int’} and ‘long unsigned int’ [-Wsign-compare] 173 | if (inp_data.rows() != nFuncs) MSG_ERROR("Size mismatch " << inp_data.rows() << " vs " << nFuncs); | ~~~~~~~~~~~~~~~~^~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/xc_utils.cpp:175:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 175 | for (auto i = 0; i < nFuncs; i++) { | ~~^~~~~~~~ [ 25%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/Orbital.cpp [ 26%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp: In constructor ‘mrchem::OrbitalIterator::OrbitalIterator(mrchem::OrbitalVector&, bool)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:45:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 45 | for (int i = 0; i < this->orbitals->size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp: In member function ‘bool mrchem::OrbitalIterator::bank_next(int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:207:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 207 | if (this->iter >= this->orbitals->size()) { | ~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:220:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 220 | for (int i = 0; i < this->orbitals->size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:229:13: warning: unused variable ‘tag’ [-Wunused-variable] 229 | int tag = i; | ^~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:213:9: warning: unused variable ‘my_rank’ [-Wunused-variable] 213 | int my_rank = mpi::orb_rank; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/OrbitalIterator.cpp:214:9: warning: unused variable ‘max_rank’ [-Wunused-variable] 214 | int max_rank = mpi::orb_size; | ^~~~~~~~ [ 27%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/Density.cpp [ 28%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/qmfunction_utils.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/qmfunction_utils.cpp: In function ‘void mrchem::qmfunction::linear_combination(mrchem::QMFunction&, const mrchem::ComplexVector&, mrchem::QMFunctionVector&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/qmfunction_utils.cpp:187:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 187 | for (int i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ [ 29%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp [ 30%] Building CXX object src/CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o -MF CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o.d -o CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::OrbitalVector mrchem::orbital::add(mrchem::ComplexDouble, mrchem::OrbitalVector&, mrchem::ComplexDouble, mrchem::OrbitalVector&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:214:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 214 | for (int i = 0; i < Phi_a.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::OrbitalVector mrchem::orbital::rotate(mrchem::OrbitalVector&, const mrchem::ComplexMatrix&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:300:20: warning: unused variable ‘sign’ [-Wunused-variable] 300 | double sign = 1.0; | ^~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp: In function ‘void mrchem::density::compute_local_X(double, mrchem::Density&, mrchem::OrbitalVector&, mrchem::OrbitalVector&, DensityType)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp:173:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 173 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp: In function ‘void mrchem::density::compute_local_XY(double, mrchem::Density&, mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::OrbitalVector&, DensityType)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/density_utils.cpp:199:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 199 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:424:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 424 | for (int i = 0; i < orbiVec.size(); i++) { // loop over rotated orbitals | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:425:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 425 | for (int j = 0; j < orbjVec.size(); j++) { Un(j, i) = Ureal(orbjVec[j], orbiVec[i]); } | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:435:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 435 | for (int i = 0; i < orbiVec.size(); i++) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:520:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 520 | for (int i = 0; i < orbiVec.size(); i++) { // loop over included rotated real and imag part of orbitals | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:521:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 521 | for (int j = 0; j < orbjVec.size(); j++) { // loop over input orbital, possibly imaginary parts | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:531:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 531 | for (int i = 0; i < orbiVec.size(); i++) { // loop over rotated orbitals | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:578:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 578 | for (int n = 0; n < nodeidVec.size(); n++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::save_nodes(mrchem::OrbitalVector, mrcpp::FunctionTree<3>&, mrchem::BankAccount&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:612:9: warning: unused variable ‘max_nNodes’ [-Wunused-variable] 612 | int max_nNodes = refTree.getNNodes(); | ^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::save_orbitals(mrchem::OrbitalVector&, const std::string&, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:741:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 741 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::orthogonalize(double, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:813:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 813 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::ComplexMatrix mrchem::orbital::calc_overlap_matrix(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:954:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 954 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:955:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 955 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:973:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 973 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:974:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 974 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:928:9: warning: unused variable ‘ibank’ [-Wunused-variable] 928 | int ibank = 0; | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::ComplexMatrix mrchem::orbital::calc_overlap_matrix(mrchem::OrbitalVector&, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1145:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1145 | for (int i = 0; i < orbVecBra.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1146:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1146 | for (int j = 0; j < orbVecKet.size(); j++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1169:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1169 | for (int i = 0; i < orbVecBra.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1170:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1170 | for (int j = 0; j < orbVecKet.size(); j++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1113:9: warning: unused variable ‘ibank’ [-Wunused-variable] 1113 | int ibank = 0; | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::DoubleMatrix mrchem::orbital::calc_norm_overlap_matrix(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1304:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1304 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1305:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1305 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1324:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1324 | for (int i = 0; i < orbVec.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1325:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1325 | for (int j = 0; j < orbVec.size(); j++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1278:9: warning: unused variable ‘ibank’ [-Wunused-variable] 1278 | int ibank = 0; | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::set_spins(mrchem::OrbitalVector&, const mrchem::IntVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1630:20: warning: comparison of integer expressions of different signedness: ‘std::vector::size_type’ {aka ‘long unsigned int’} and ‘Eigen::EigenBase >::Index’ {aka ‘long int’} [-Wsign-compare] 1630 | if (Phi.size() != spins.size()) MSG_ERROR("Size mismatch"); | ~~~~~~~~~~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1631:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1631 | for (int i = 0; i < Phi.size(); i++) Phi[i].setSpin(spins(i)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::set_occupations(mrchem::OrbitalVector&, const mrchem::IntVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1648:20: warning: comparison of integer expressions of different signedness: ‘std::vector::size_type’ {aka ‘long unsigned int’} and ‘Eigen::EigenBase >::Index’ {aka ‘long int’} [-Wsign-compare] 1648 | if (Phi.size() != occ.size()) MSG_ERROR("Size mismatch"); | ~~~~~~~~~~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1649:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1649 | for (int i = 0; i < Phi.size(); i++) Phi[i].setOcc(occ(i)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘void mrchem::orbital::print(const mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1745:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1745 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘mrchem::DoubleVector mrchem::orbital::calc_eigenvalues(const mrchem::OrbitalVector&, const mrchem::ComplexMatrix&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1762:22: warning: comparison of integer expressions of different signedness: ‘Eigen::Index’ {aka ‘long int’} and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1762 | if (F_mat.cols() != Phi.size()) MSG_ABORT("Invalid Fock matrix"); | ~~~~~~~~~~~~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp: In function ‘int mrchem::orbital::print_size_nodes(const mrchem::OrbitalVector&, const std::string&, bool, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1812:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1812 | for (int i = 0; i < Phi.size(); i++) sNodes[i] = Phi[i].getSizeNodes(NUMBER::Total); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmfunctions/orbital_utils.cpp:1815:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 1815 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 31%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/QMDerivative.cpp [ 32%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/QMIdentity.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/QMIdentity.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/QMIdentity.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/QMIdentity.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/QMIdentity.cpp [ 33%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/QMPotential.cpp [ 34%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/QMSpin.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/QMSpin.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/QMSpin.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/QMSpin.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/QMSpin.cpp [ 35%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/qmoperator_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/qmoperator_utils.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/qmoperator_utils.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/qmoperator_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/qmoperator_utils.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/MomentumOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/qmoperator_utils.cpp:35: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 36%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.cpp: In member function ‘void mrchem::NuclearOperator::setupLocalPotential(mrchem::NuclearFunction&, const mrchem::Nuclei&, double) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.cpp:117:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 117 | for (int k = 0; k < nucs.size(); k++) { | ~~^~~~~~~~~~~~~ [ 37%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.cpp: In constructor ‘mrchem::ZoraOperator::ZoraOperator(mrchem::QMPotential&, double, double, bool)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.cpp:65:10: warning: unused variable ‘plevel’ [-Wunused-variable] 65 | auto plevel = Printer::getPrintLevel(); | ^~~~~~ [ 38%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/CoulombPotential.cpp [ 39%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/CoulombPotentialD1.cpp [ 40%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/CoulombPotentialD2.cpp [ 41%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotential.cpp [ 42%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp [ 43%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘virtual void mrchem::ExchangePotentialD1::setupBank()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:63:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 63 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘virtual int mrchem::ExchangePotentialD1::testInternal(mrchem::Orbital) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:90:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 90 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘virtual void mrchem::ExchangePotentialD1::setupInternal(double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:247:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 247 | for (int i = 0; i < itasks[task].size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:262:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 262 | for (int j = 0; j < jtasks[task].size(); j++) { | ~~^~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:273:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 273 | for (int i = 0; i < iorb_vec.size(); i++) { | ~~^~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:321:26: warning: unused variable ‘tT’ [-Wunused-variable] 321 | auto tT = timerx.elapsed(); | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:334:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 334 | for (int jj = 0; jj < iijfunc_vec.size(); jj++) iijfunc_vec[jj].free(NUMBER::Total); | ~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:302:17: warning: unused variable ‘lastsize’ [-Wunused-variable] 302 | int lastsize = iVec.size(); | ^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:369:37: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 369 | for (int jj = 0; jj < iijfunc_vec.size(); jj++) iijfunc_vec[jj].free(NUMBER::Total); | ~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:382:33: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 382 | for (int jj = 0; jj < iijfunc_vec.size(); jj++) iijfunc_vec[jj].free(NUMBER::Total); | ~~~^~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp: In member function ‘mrchem::Orbital mrchem::ExchangePotentialD1::calcExchange(mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD1.cpp:424:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 424 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function ‘virtual void mrchem::ExchangePotentialD2::setupBank()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:67:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 67 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:71:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 71 | for (int i = 0; i < X.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:75:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 75 | for (int i = 0; i < Y.size(); i++) { | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function ‘virtual mrchem::Orbital mrchem::ExchangePotentialD2::apply(mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:118:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 118 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp: In member function ‘virtual mrchem::Orbital mrchem::ExchangePotentialD2::dagger(mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangePotentialD2.cpp:177:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 177 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 44%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp [ 45%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.h:29, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:34: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp: In member function ‘virtual void mrchem::XCPotential::setup(double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp:97:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 97 | for (auto i = 0; i < this->potentials.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp: In member function ‘mrchem::Density& mrchem::XCPotential::getDensity(DensityType, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.cpp:131:18: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | if (dens_idx > densities.size()) MSG_ABORT("Invalid density index"); | ~~~~~~~~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp: In member function ‘mrchem::OrbitalVector mrchem::FockBuilder::buildHelmholtzArgumentZORA(mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::DoubleVector, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:263:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 263 | for (int i = 0; i < epsPhi.size(); i++) { | ~~^~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:278:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 278 | for (int i = 0; i < arg.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp: In member function ‘mrchem::OrbitalVector mrchem::FockBuilder::buildHelmholtzArgumentNREL(mrchem::OrbitalVector&, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/FockBuilder.cpp:308:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 308 | for (int i = 0; i < out.size(); i++) { | ~~^~~~~~~~~~~~ [ 46%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD1.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD1.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ [ 47%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD2.cpp [ 48%] Building CXX object src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o -MF CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o.d -o CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ReactionPotential.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotentialD2.cpp:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ [ 49%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp [ 50%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/GroundStateSolver.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp: In member function ‘void mrchem::Accelerator::push_back(mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::ComplexMatrix*, mrchem::ComplexMatrix*)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:131:31: warning: comparison of integer expressions of different signedness: ‘std::deque, -1, -1> >::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 131 | if (this->fock.size() != nHistory) MSG_ERROR("Size mismatch orbitals vs matrices"); | ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp: In member function ‘void mrchem::Accelerator::solveLinearSystem()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:231:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector, -1, -1> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 231 | for (int n = 0; n < this->A.size(); n++) { | ~~^~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp: In member function ‘void mrchem::Accelerator::sortLinearSystem(std::vector, -1, -1> >&, std::vector, -1, 1> >&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:326:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector, -1, 1> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 326 | for (int i = 0; i < b_vectors.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/Accelerator.cpp:337:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector, -1, 1> >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 337 | for (int i = 0; i < b_vectors.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.h:34, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/GroundStateSolver.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/GroundStateSolver.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 51%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp [ 52%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp: In member function ‘mrchem::OrbitalVector mrchem::HelmholtzVector::operator()(mrchem::OrbitalVector&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp:80:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 80 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp: In member function ‘mrchem::OrbitalVector mrchem::HelmholtzVector::apply(mrchem::RankZeroOperator&, mrchem::OrbitalVector&, mrchem::OrbitalVector&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/HelmholtzVector.cpp:119:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 119 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp: In member function ‘virtual void mrchem::KAIN::setupLinearSystem()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp:88:46: warning: comparison of integer expressions of different signedness: ‘std::vector::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 88 | double alpha = (this->scaling.size() == nOrbitals) ? scaling[n] : 1.0; | ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp: In member function ‘virtual void mrchem::KAIN::expandSolution(double, mrchem::OrbitalVector&, mrchem::OrbitalVector&, mrchem::ComplexMatrix*, mrchem::ComplexMatrix*)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/KAIN.cpp:186:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 186 | for (int i = 0; i < totCoefs.size(); i++) coefsVec(i) = totCoefs[i]; | ~~^~~~~~~~~~~~~~~~~ [ 52%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/LinearResponseSolver.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.h:34, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/LinearResponseSolver.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/LinearResponseSolver.cpp:31: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 53%] Building CXX object src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o -MF CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o.d -o CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ZoraOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.h:34, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp: In member function ‘double mrchem::SCFSolver::getUpdate(const std::vector&, int, bool) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:131:20: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | if (i < 1 or i > vec.size()) MSG_ERROR("Invalid argument"); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp: In member function ‘void mrchem::SCFSolver::printOrbitals(const mrchem::DoubleVector&, const mrchem::DoubleVector&, mrchem::OrbitalVector&, int, bool) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:196:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 196 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:195:10: warning: variable ‘conv_tot’ set but not used [-Wunused-but-set-variable] 195 | bool conv_tot = true; | ^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp: In member function ‘void mrchem::SCFSolver::printConvergence(bool, const std::string&) const’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/scf_solver/SCFSolver.cpp:278:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 278 | for (int i = 0; i < nIter; i++) printConvergenceRow(i); | ~~^~~~~~~ [ 54%] Building CXX object src/CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o -MF CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o.d -o CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:29: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘void mrchem::RankZeroOperator::setup(double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:204:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 204 | for (int j = 0; j < i.size(); j++) { i[j]->setup(prec); } | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘void mrchem::RankZeroOperator::clear()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:212:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 212 | for (int j = 0; j < i.size(); j++) { i[j]->clear(); } | ~~^~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::OrbitalVector mrchem::RankZeroOperator::operator()(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:289:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 289 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::OrbitalVector mrchem::RankZeroOperator::dagger(mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:309:24: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 309 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::Orbital mrchem::RankZeroOperator::applyOperTerm(int, mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:472:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 472 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::Orbital mrchem::RankZeroOperator::daggerOperTerm(int, mrchem::Orbital)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:484:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 484 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp: In member function ‘mrchem::ComplexDouble mrchem::RankZeroOperator::traceOperTerm(int, const mrchem::Nuclei&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.cpp:497:11: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 497 | if (n >= this->oper_exp.size()) MSG_ABORT("Invalid oper term"); | ~~^~~~~~~~~~~~~~~~~~~~~~~~ [ 55%] Building CXX object src/CMakeFiles/mrchem.dir/tensor/RankOneOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/tensor/RankOneOperator.cpp.o -MF CMakeFiles/mrchem.dir/tensor/RankOneOperator.cpp.o.d -o CMakeFiles/mrchem.dir/tensor/RankOneOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 56%] Building CXX object src/CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o -MF CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o.d -o CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankTwoOperator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankTwoOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankTwoOperator.cpp:26: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 57%] Building CXX object src/CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o -MF CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o.d -o CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/tensor_utils.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/tensor_utils.cpp:28: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 58%] Building CXX object src/CMakeFiles/mrchem.dir/utils/print_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/print_utils.cpp.o -MF CMakeFiles/mrchem.dir/utils/print_utils.cpp.o.d -o CMakeFiles/mrchem.dir/utils/print_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/print_utils.cpp [ 59%] Building CXX object src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/math_utils.cpp.o -MF CMakeFiles/mrchem.dir/utils/math_utils.cpp.o.d -o CMakeFiles/mrchem.dir/utils/math_utils.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/math_utils.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/print_utils.cpp: In function ‘void mrchem::print_utils::json(int, const nlohmann::json_abi_v3_11_3::json&, bool)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/print_utils.cpp:124:31: warning: comparison of integer expressions of different signedness: ‘std::__cxx11::basic_string::size_type’ {aka ‘long unsigned int’} and ‘int’ [-Wsign-compare] 124 | if (item.key().size() > lshift) lshift = item.key().size(); | ~~~~~~~~~~~~~~~~~~^~~~~~~~ [ 60%] Building CXX object src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o -MF CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o.d -o CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp: In member function ‘int mrchem::NonlinearMaximizer::maximize()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:159:28: warning: unused variable ‘rr’ [-Wunused-variable] 159 | double rr = r.transpose() * r; | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:147:29: warning: unused variable ‘Hij’ [-Wunused-variable] 147 | double pAp, Hij; | ^~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:83:13: warning: variable ‘lastICG’ set but not used [-Wunused-but-set-variable] 83 | int lastICG = 0; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:50:12: warning: unused variable ‘j’ [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:50:15: warning: unused variable ‘k’ [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:50:18: warning: unused variable ‘l’ [-Wunused-variable] 50 | int i, j, k, l, iter, dcount; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:51:16: warning: unused variable ‘h2’ [-Wunused-variable] 51 | double mu, h2; | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:12: warning: unused variable ‘lamb1’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:19: warning: unused variable ‘sq’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:23: warning: unused variable ‘a’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/NonlinearMaximizer.cpp:69:26: warning: unused variable ‘c’ [-Wunused-variable] 69 | double lamb1, sq, a, c, x = 0.0, direction = 0.0; | ^ [ 61%] Building CXX object src/CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o -MF CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o.d -o CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/RRMaximizer.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/PositionOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/RRMaximizer.cpp:35: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 62%] Building CXX object src/CMakeFiles/mrchem.dir/utils/Bank.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS 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-specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o -MF CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o.d -o CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/utils/gto_utils/OrbitalExp.cpp [ 67%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/chk.cpp [ 68%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/core.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/core.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/core.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/core.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 69%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp: In function ‘void mrchem::initial_guess::core::project_ao(mrchem::OrbitalVector&, double, const mrchem::Nuclei&, int)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp:183:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 183 | for (int i = 0; i < nucs.size(); i++) { | ~~^~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp: In function ‘void mrchem::initial_guess::core::rotate_orbitals(mrchem::OrbitalVector&, double, mrchem::ComplexMatrix&, mrchem::OrbitalVector&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.cpp:235:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 235 | for (auto j = 0; j < Psi.size(); j++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp: In function ‘void mrchem::initial_guess::gto::project_mo(mrchem::OrbitalVector&, double, const std::string&, const std::string&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp:146:19: warning: comparison of integer expressions of different signedness: ‘Eigen::Index’ {aka ‘long int’} and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 146 | if (MO.cols() < Phi.size()) MSG_ABORT("Size mismatch"); | ~~~~~~~~~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp:150:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 150 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp: In function ‘void mrchem::initial_guess::gto::project_ao(mrchem::OrbitalVector&, double, const mrchem::Nuclei&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/gto.cpp:221:13: warning: unused variable ‘n’ [-Wunused-variable] 221 | int n = 0; | ^ [ 70%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/mw.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/mw.cpp: In function ‘bool mrchem::initial_guess::mw::project_mo(mrchem::OrbitalVector&, double, const std::string&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/mw.cpp:106:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 106 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 71%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/core.h:32, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:31: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:48: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp: In function ‘void mrchem::initial_guess::sad::project_atomic_densities(double, mrchem::Density&, const mrchem::Nuclei&, double)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:262:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 262 | for (int k = 0; k < N_nucs; k++) { | ~~^~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/sad.cpp:284:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘long unsigned int’ [-Wsign-compare] 284 | for (int k = 0; k < N_nucs; k++) { | ~~^~~~~~~~ [ 72%] Building CXX object src/CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/eigen3 -isystem /usr/include/MRCPP -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fPIC -fopenmp -MD -MT src/CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o -MF CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o.d -o CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/cube.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/cube.cpp: In function ‘bool mrchem::initial_guess::cube::project_mo(mrchem::OrbitalVector&, double, const std::string&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/initial_guess/cube.cpp:120:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 120 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 73%] Linking CXX static library ../lib64/libmrchem.a cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/cmake -P CMakeFiles/mrchem.dir/cmake_clean_target.cmake cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem.dir/link.txt --verbose=1 /usr/bin/ar qc ../lib64/libmrchem.a CMakeFiles/mrchem.dir/driver.cpp.o CMakeFiles/mrchem.dir/parallel.cpp.o CMakeFiles/mrchem.dir/mrenv.cpp.o CMakeFiles/mrchem.dir/analyticfunctions/HydrogenFunction.cpp.o CMakeFiles/mrchem.dir/analyticfunctions/NuclearFunction.cpp.o CMakeFiles/mrchem.dir/analyticfunctions/NuclearGradientFunction.cpp.o CMakeFiles/mrchem.dir/analyticfunctions/CUBEfunction.cpp.o CMakeFiles/mrchem.dir/chemistry/chemistry_utils.cpp.o CMakeFiles/mrchem.dir/chemistry/PeriodicTable.cpp.o CMakeFiles/mrchem.dir/chemistry/Molecule.cpp.o CMakeFiles/mrchem.dir/chemistry/PhysicalConstants.cpp.o CMakeFiles/mrchem.dir/environment/Cavity.cpp.o CMakeFiles/mrchem.dir/environment/Permittivity.cpp.o CMakeFiles/mrchem.dir/environment/SCRF.cpp.o CMakeFiles/mrchem.dir/mrdft/Factory.cpp.o CMakeFiles/mrchem.dir/mrdft/MRDFT.cpp.o CMakeFiles/mrchem.dir/mrdft/Functional.cpp.o CMakeFiles/mrchem.dir/mrdft/LDA.cpp.o CMakeFiles/mrchem.dir/mrdft/SpinLDA.cpp.o CMakeFiles/mrchem.dir/mrdft/GGA.cpp.o CMakeFiles/mrchem.dir/mrdft/SpinGGA.cpp.o CMakeFiles/mrchem.dir/mrdft/xc_utils.cpp.o CMakeFiles/mrchem.dir/qmfunctions/QMFunction.cpp.o CMakeFiles/mrchem.dir/qmfunctions/Orbital.cpp.o CMakeFiles/mrchem.dir/qmfunctions/OrbitalIterator.cpp.o CMakeFiles/mrchem.dir/qmfunctions/Density.cpp.o CMakeFiles/mrchem.dir/qmfunctions/qmfunction_utils.cpp.o CMakeFiles/mrchem.dir/qmfunctions/orbital_utils.cpp.o CMakeFiles/mrchem.dir/qmfunctions/density_utils.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMDerivative.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMIdentity.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMPotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/QMSpin.cpp.o CMakeFiles/mrchem.dir/qmoperators/qmoperator_utils.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/NuclearOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/one_electron/ZoraOperator.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD1.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/CoulombPotentialD2.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD1.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ExchangePotentialD2.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/FockBuilder.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotential.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD1.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/XCPotentialD2.cpp.o CMakeFiles/mrchem.dir/qmoperators/two_electron/ReactionPotential.cpp.o CMakeFiles/mrchem.dir/scf_solver/Accelerator.cpp.o CMakeFiles/mrchem.dir/scf_solver/GroundStateSolver.cpp.o CMakeFiles/mrchem.dir/scf_solver/HelmholtzVector.cpp.o CMakeFiles/mrchem.dir/scf_solver/KAIN.cpp.o CMakeFiles/mrchem.dir/scf_solver/LinearResponseSolver.cpp.o CMakeFiles/mrchem.dir/scf_solver/SCFSolver.cpp.o CMakeFiles/mrchem.dir/tensor/RankZeroOperator.cpp.o CMakeFiles/mrchem.dir/tensor/RankOneOperator.cpp.o CMakeFiles/mrchem.dir/tensor/RankTwoOperator.cpp.o CMakeFiles/mrchem.dir/tensor/tensor_utils.cpp.o CMakeFiles/mrchem.dir/utils/print_utils.cpp.o CMakeFiles/mrchem.dir/utils/math_utils.cpp.o CMakeFiles/mrchem.dir/utils/NonlinearMaximizer.cpp.o CMakeFiles/mrchem.dir/utils/RRMaximizer.cpp.o CMakeFiles/mrchem.dir/utils/Bank.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/AOBasis.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/AOContraction.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/Intgrl.cpp.o CMakeFiles/mrchem.dir/utils/gto_utils/OrbitalExp.cpp.o CMakeFiles/mrchem.dir/initial_guess/chk.cpp.o CMakeFiles/mrchem.dir/initial_guess/core.cpp.o CMakeFiles/mrchem.dir/initial_guess/gto.cpp.o CMakeFiles/mrchem.dir/initial_guess/mw.cpp.o CMakeFiles/mrchem.dir/initial_guess/sad.cpp.o CMakeFiles/mrchem.dir/initial_guess/cube.cpp.o /usr/bin/ranlib ../lib64/libmrchem.a gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 73%] Built target mrchem /usr/bin/gmake -f src/CMakeFiles/mrchem.x.dir/build.make src/CMakeFiles/mrchem.x.dir/depend /usr/bin/gmake -f pilot/CMakeFiles/mrchem-pilot.x.dir/build.make pilot/CMakeFiles/mrchem-pilot.x.dir/depend gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src/CMakeFiles/mrchem.x.dir/DependInfo.cmake "--color=" gmake[2]: Entering directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 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src/CMakeFiles/mrchem.x.dir/mrchem.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/src && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT src/CMakeFiles/mrchem.x.dir/mrchem.cpp.o -MF CMakeFiles/mrchem.x.dir/mrchem.cpp.o.d -o CMakeFiles/mrchem.x.dir/mrchem.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrchem.cpp [ 75%] Building CXX object pilot/CMakeFiles/mrchem-pilot.x.dir/mrchem.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/pilot && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection 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/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/density.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/density.cpp: In function ‘void density_tests::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/density.cpp:42:18: warning: unused variable ‘thrs’ [-Wunused-variable] 42 | const double thrs = 1.0e-12; | ^~~~ [ 81%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/orbital.cpp [ 82%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/orbital_vector.cpp /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/orbital_vector.cpp: In function ‘void orbital_vector_tests::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmfunctions/orbital_vector.cpp:247:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 247 | for (int n = 0; n < Phi.size(); n++) { | ~~^~~~~~~~~~~~ [ 83%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/identity_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/IdentityOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/identity_operator.cpp:34: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 84%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/position_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/PositionOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/position_operator.cpp:35: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 85%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/momentum_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankOneOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/MomentumOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/momentum_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 86%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [ 86%] Built target mrchem.x [ 87%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/KineticOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp: In function ‘void kinetic_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp:88:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 88 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/kinetic_operator.cpp:111:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 111 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/NuclearOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp: In function ‘void nuclear_potential::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:69:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 69 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:106:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 106 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/nuclear_operator.cpp:129:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 129 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 88%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp [ 89%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/CoulombOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp: In function ‘void coulomb_potential::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:72:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 72 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:102:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 102 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:125:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 125 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_operator.cpp:77:9: warning: unused variable ‘i’ [-Wunused-variable] 77 | int i = 0; | ^ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/CoulombOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp: In function ‘void coulomb_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:70:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 70 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:92:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 92 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:119:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 119 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:142:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 142 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/coulomb_hessian.cpp:97:9: warning: unused variable ‘i’ [-Wunused-variable] 97 | int i = 0; | ^ [ 90%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp [ 91%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangeOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp: In function ‘void exchange_potential::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:69:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 69 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:97:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 97 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:120:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 120 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:48:15: warning: unused variable ‘nShells’ [-Wunused-variable] 48 | const int nShells = 2; | ^~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_operator.cpp:74:9: warning: unused variable ‘i’ [-Wunused-variable] 74 | int i = 0; | ^ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ExchangeOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp: In function ‘void exchnage_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:75:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 75 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:102:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 102 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:128:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 128 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:151:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 151 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/exchange_hessian.cpp:107:9: warning: unused variable ‘i’ [-Wunused-variable] 107 | int i = 0; | ^ [ 92%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp [ 93%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp: In function ‘void xc_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:82:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 82 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:112:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 112 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_lda.cpp:135:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 135 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:39: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp: In function ‘void xc_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:82:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 82 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:112:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 112 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_operator_blyp.cpp:135:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 135 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ [ 94%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp [ 95%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp: In function ‘void xc_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:80:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 80 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:102:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 102 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:129:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 129 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:152:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 152 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_lda.cpp:107:9: warning: unused variable ‘i’ [-Wunused-variable] 107 | int i = 0; | ^ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:38: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/MRDFT.h:33, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCPotential.h:30, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/XCOperator.h:30: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h: In member function ‘void mrdft::Grid::unify(mrcpp::FunctionTreeVector<3>&)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:53:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 53 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/mrdft/Grid.h:58:28: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector*>, std::allocator*> > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 58 | for (auto i = 0; i < inp.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp: In function ‘void coulomb_hessian::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:79:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 79 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:101:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 101 | for (int i = 0; i < Phi_x.size(); i++) { | ~~^~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:128:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 128 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:151:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 151 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/xc_hessian_pbe.cpp:106:9: warning: unused variable ‘i’ [-Wunused-variable] 106 | int i = 0; | ^ [ 96%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp [ 97%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o -MF CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o.d -o CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/ElectricFieldOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp:36: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp: In function ‘void electric_field_operator::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp:117:27: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 117 | for (int i = 0; i < Phi.size(); i++) { | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/electric_field_operator.cpp:118:31: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 118 | for (int j = 0; j < xPhi.size(); j++) { | ~~^~~~~~~~~~~~~ In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/one_electron/IdentityOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp:37: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp: In function ‘void operator_composition::C_A_T_C_H_T_E_S_T_0()’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp:533:35: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 533 | for (int n = 0; n < Psi.size(); n++) REQUIRE(val(n) == Approx(0.0).margin(thrs)); | ~~^~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/qmoperators/operator_composition.cpp:547:39: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 547 | for (int n = 0; n < Psi.size(); n++) { | ~~^~~~~~~~~~~~ [ 98%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o -MF CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o.d -o CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/solventeffect/reaction_operator.cpp In file included from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/qmoperators/two_electron/ReactionOperator.h:28, from /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/solventeffect/reaction_operator.cpp:48: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator*(ComplexDouble, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:131:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 131 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator+(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:162:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 162 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:166:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 166 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h: In function ‘mrchem::RankZeroOperator mrchem::operator-(RankZeroOperator, RankZeroOperator)’: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:176:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 176 | for (int i = 0; i < A.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src/tensor/RankZeroOperator.h:180:23: warning: comparison of integer expressions of different signedness: ‘int’ and ‘std::vector > >::size_type’ {aka ‘long unsigned int’} [-Wsign-compare] 180 | for (int i = 0; i < B.oper_exp.size(); i++) { | ~~^~~~~~~~~~~~~~~~~~~ [ 99%] Building CXX object tests/CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/g++ -DMRCHEM_HAS_OMP -DMRCPP_HAS_OMP -DUSING_MRCPP -DUSING_XCFun -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/src -I/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/external/catch -isystem /usr/include/MRCPP -isystem /usr/include/eigen3 -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -std=c++14 -fopenmp -MD -MT tests/CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o -MF CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o.d -o CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o -c /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/tests/solventeffect/cavity_function.cpp [100%] Linking CXX executable ../bin/mrchem-tests cd /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mrchem-tests.dir/link.txt --verbose=1 /usr/bin/g++ -O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wno-complain-wrong-lang -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/include/catch2 -DNDEBUG -Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes "CMakeFiles/mrchem-tests.dir/unit_tests.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/qmfunction.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/density.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/orbital.cpp.o" "CMakeFiles/mrchem-tests.dir/qmfunctions/orbital_vector.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/identity_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/position_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/momentum_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/kinetic_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/nuclear_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/coulomb_hessian.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/exchange_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/exchange_hessian.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_lda.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_operator_blyp.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_lda.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/xc_hessian_pbe.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/electric_field_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/qmoperators/operator_composition.cpp.o" "CMakeFiles/mrchem-tests.dir/solventeffect/reaction_operator.cpp.o" "CMakeFiles/mrchem-tests.dir/solventeffect/cavity_function.cpp.o" -o ../bin/mrchem-tests ../lib64/libmrchem.a /usr/lib64/libxcfun.so.2 -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc -lc /usr/lib64/libmrcpp.so.1 /usr/lib/gcc/x86_64-redhat-linux/14/libgomp.so /usr/lib64/libpthread.a gmake[2]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' [100%] Built target mrchem-tests gmake[1]: Leaving directory '/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build' /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build/CMakeFiles 0 + RPM_EC=0 ++ jobs -p + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.sd71sn + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + '[' /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT '!=' / ']' + rm -rf /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT ++ dirname /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT + mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build + mkdir /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd mrchem-1.1.3 + DESTDIR=/builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT + /usr/bin/cmake --install redhat-linux-build -- Install configuration: "Release" -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ag.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ag.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Al.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Al.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ar.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ar.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/As.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/As.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/B.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/B.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Be.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Be.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Br.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Br.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/C.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/C.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ca.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ca.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cd.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cd.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cl.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cl.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Co.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Co.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cr.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cr.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cu.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Cu.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/F.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/F.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Fe.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Fe.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ga.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ga.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ge.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/Ge.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/H.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/H.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/He.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/He.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/I.bas -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/I.dens -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/MRChem/sad_basis/In.bas -- Installing: 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-- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python/mrchem/input_parser/plumbing/validation_plumbing.py -- Installing: /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python/mrchem/input_parser/plumbing/views.py + mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.12/site-packages + mv /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python/mrchem /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.12/site-packages + /usr/bin/find-debuginfo -j2 --strict-build-id -m -i --build-id-seed 1.1.3-4.fc41 --unique-debug-suffix -1.1.3-4.fc41.x86_64 --unique-debug-src-base mrchem-1.1.3-4.fc41.x86_64 --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 -S debugsourcefiles.list /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3 find-debuginfo: starting Extracting debug info from 1 files DWARF-compressing 1 files sepdebugcrcfix: Updated 1 CRC32s, 0 CRC32s did match. Creating .debug symlinks for symlinks to ELF files Copying sources found by 'debugedit -l' to /usr/src/debug/mrchem-1.1.3-4.fc41.x86_64 1925 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/bin/mrchem from /usr/bin/env python3 to #!/usr/bin/python3 + /usr/lib/rpm/brp-remove-la-files + env /usr/lib/rpm/redhat/brp-python-bytecompile '' 1 0 -j2 Bytecompiling .py files below /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib/python3.12 using python3.12 + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/bin/add-determinism --brp -j2 /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT Cannot initialize handler pyc: ModuleNotFoundError: No module named 'marshalparser' [src/multiprocess.rs:66:9] &cmd = Command { program: "/usr/bin/add-determinism", args: [ "/usr/bin/add-determinism", "--socket", "3", "--brp", "--handler", "ar,jar,javadoc", ], env: CommandEnv { clear: false, vars: { "SOURCE_DATE_EPOCH": Some( "1717718400", ), }, }, create_pidfd: false, } Bye! /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/lib64/libmrchem.a: replacing with normalized version Bye! Reading /builddir/build/BUILD/mrchem-1.1.3-build/SPECPARTS/rpm-debuginfo.specpart Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.32FZhY + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + CFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CFLAGS + CXXFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Werror=format-security -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer ' + export CXXFLAGS + FFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FFLAGS + FCFLAGS='-O2 -flto=auto -ffat-lto-objects -fexceptions -g -grecord-gcc-switches -pipe -Wall -Wp,-U_FORTIFY_SOURCE,-D_FORTIFY_SOURCE=3 -Wp,-D_GLIBCXX_ASSERTIONS -specs=/usr/lib/rpm/redhat/redhat-hardened-cc1 -fstack-protector-strong -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -m64 -march=x86-64 -mtune=generic -fasynchronous-unwind-tables -fstack-clash-protection -fcf-protection -mtls-dialect=gnu2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -I/usr/lib64/gfortran/modules ' + export FCFLAGS + VALAFLAGS=-g + export VALAFLAGS + RUSTFLAGS='-Copt-level=3 -Cdebuginfo=2 -Ccodegen-units=1 -Cstrip=none -Cforce-frame-pointers=yes -Clink-arg=-specs=/usr/lib/rpm/redhat/redhat-package-notes --cap-lints=warn' + export RUSTFLAGS + LDFLAGS='-Wl,-z,relro -Wl,--as-needed -Wl,-z,pack-relative-relocs -Wl,-z,now -specs=/usr/lib/rpm/redhat/redhat-hardened-ld -specs=/usr/lib/rpm/redhat/redhat-annobin-cc1 -Wl,--build-id=sha1 -specs=/usr/lib/rpm/redhat/redhat-package-notes ' + export LDFLAGS + LT_SYS_LIBRARY_PATH=/usr/lib64: + export LT_SYS_LIBRARY_PATH + CC=gcc + export CC + CXX=g++ + export CXX + cd mrchem-1.1.3 + export PYTHONPATH=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/ + PYTHONPATH=/builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/python/ + cat + /usr/bin/ctest --test-dir redhat-linux-build --output-on-failure --force-new-ctest-process -j1 Internal ctest changing into directory: /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build Test project /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/redhat-linux-build Start 29: HF_molecular_gradient_LDA 1/32 Test #29: HF_molecular_gradient_LDA ........ Passed 6.90 sec Start 30: cube_parser 2/32 Test #30: cube_parser ...................... Passed 0.11 sec Start 23: H_SCF_finite_electric_field 3/32 Test #23: H_SCF_finite_electric_field ...... Passed 4.07 sec Start 24: H2_SCF_HartreeFock 4/32 Test #24: H2_SCF_HartreeFock ............... Passed 11.23 sec Start 25: H2_static_polarizability_LDA 5/32 Test #25: H2_static_polarizability_LDA ..... Passed 21.89 sec Start 26: H2O_energy_BLYP 6/32 Test #26: H2O_energy_BLYP .................. Passed 15.44 sec Start 27: Li_SCF_PBE0 7/32 Test #27: Li_SCF_PBE0 ...................... Passed 30.06 sec Start 28: Li_static_polarizability_LDA 8/32 Test #28: Li_static_polarizability_LDA ..... Passed 70.38 sec Start 31: H2_SCF_CUBE 9/32 Test #31: H2_SCF_CUBE ...................... Passed 8.09 sec Start 32: Li_solvent_effect 10/32 Test #32: Li_solvent_effect ................ Passed 28.87 sec Start 1: qmfunction 11/32 Test #1: qmfunction ....................... Passed 1.29 sec Start 2: density 12/32 Test #2: density .......................... Passed 0.68 sec Start 3: orbital 13/32 Test #3: orbital .......................... Passed 0.24 sec Start 4: orbital_vector 14/32 Test #4: orbital_vector ................... Passed 1.26 sec Start 5: identity_operator 15/32 Test #5: identity_operator ................ Passed 0.27 sec Start 6: position_operator 16/32 Test #6: position_operator ................ Passed 0.32 sec Start 7: momentum_operator 17/32 Test #7: momentum_operator ................ Passed 0.24 sec Start 8: kinetic_operator 18/32 Test #8: kinetic_operator ................. Passed 0.93 sec Start 9: nuclear_operator 19/32 Test #9: nuclear_operator ................. Passed 0.90 sec Start 10: coulomb_operator 20/32 Test #10: coulomb_operator ................. Passed 1.54 sec Start 11: coulomb_hessian 21/32 Test #11: coulomb_hessian .................. Passed 2.08 sec Start 12: exchange_operator 22/32 Test #12: exchange_operator ................ Passed 1.43 sec Start 13: exchange_hessian 23/32 Test #13: exchange_hessian ................. Passed 2.19 sec Start 14: xc_operator_lda 24/32 Test #14: xc_operator_lda .................. Passed 2.23 sec Start 15: xc_operator_blyp 25/32 Test #15: xc_operator_blyp ................. Passed 4.55 sec Start 16: xc_hessian_lda 26/32 Test #16: xc_hessian_lda ................... Passed 2.37 sec Start 17: xc_hessian_pbe 27/32 Test #17: xc_hessian_pbe ................... Passed 18.59 sec Start 18: electric_field_operator 28/32 Test #18: electric_field_operator .......... Passed 1.48 sec Start 19: electric_field_energy 29/32 Test #19: electric_field_energy ............ Passed 0.33 sec Start 20: operator_composition 30/32 Test #20: operator_composition ............. Passed 6.54 sec Start 21: cavity_function 31/32 Test #21: cavity_function .................. Passed 0.29 sec Start 22: reaction_operator 32/32 Test #22: reaction_operator ................ Passed 7.51 sec 100% tests passed, 0 tests failed out of 32 Label Time Summary: H2O_energy_BLYP = 15.44 sec*proc (1 test) H2_SCF_HartreeFock = 11.23 sec*proc (1 test) H2_static_polarizability_LDA = 21.89 sec*proc (1 test) HF_molecular_gradient_LDA = 6.90 sec*proc (1 test) Li_SCF_PBE0 = 30.06 sec*proc (1 test) Li_static_polarizability_LDA = 70.38 sec*proc (1 test) cavity_function = 0.29 sec*proc (1 test) coulomb_hessian = 2.08 sec*proc (1 test) coulomb_operator = 1.54 sec*proc (1 test) cube_guess = 8.19 sec*proc (2 tests) cube_parser = 0.11 sec*proc (1 test) density = 0.68 sec*proc (1 test) dft = 45.50 sec*proc (2 tests) electric_field = 4.07 sec*proc (1 test) electric_field_energy = 0.33 sec*proc (1 test) electric_field_operator = 1.48 sec*proc (1 test) energy = 93.70 sec*proc (5 tests) exchange_hessian = 2.19 sec*proc (1 test) exchange_operator = 1.43 sec*proc (1 test) gga = 15.44 sec*proc (1 test) gradient = 6.90 sec*proc (1 test) h2_pol_lda = 21.89 sec*proc (1 test) h2_scf_cube = 8.09 sec*proc (1 test) h2_scf_hf = 11.23 sec*proc (1 test) h2o_energy_blyp = 15.44 sec*proc (1 test) h_el_field = 4.07 sec*proc (1 test) hartree_fock = 11.23 sec*proc (1 test) hf = 4.07 sec*proc (1 test) hf_grad_lda = 6.90 sec*proc (1 test) identity_operator = 0.27 sec*proc (1 test) integration = 197.02 sec*proc (10 tests) kinetic_operator = 0.93 sec*proc (1 test) li_pol_lda = 70.38 sec*proc (1 test) li_scf_pbe0 = 30.06 sec*proc (1 test) li_solv = 28.87 sec*proc (1 test) momentum_operator = 0.24 sec*proc (1 test) mrchem = 197.02 sec*proc (10 tests) nuclear_operator = 0.90 sec*proc (1 test) open_shell = 70.38 sec*proc (1 test) operator_composition = 6.54 sec*proc (1 test) orbital = 0.24 sec*proc (1 test) orbital_vector = 1.26 sec*proc (1 test) polarizability = 92.26 sec*proc (2 tests) position_operator = 0.32 sec*proc (1 test) qmfunction = 1.29 sec*proc (1 test) reaction_operator = 7.51 sec*proc (1 test) scf = 82.32 sec*proc (5 tests) solvent = 28.87 sec*proc (1 test) unit = 57.27 sec*proc (22 tests) xc_hessian_lda = 2.37 sec*proc (1 test) xc_hessian_pbe = 18.59 sec*proc (1 test) xc_operator_blyp = 4.55 sec*proc (1 test) xc_operator_lda = 2.23 sec*proc (1 test) Total Test time (real) = 254.34 sec + RPM_EC=0 ++ jobs -p + exit 0 Processing files: mrchem-1.1.3-4.fc41.x86_64 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.QuS789 + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + cd mrchem-1.1.3 + DOCDIR=/builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + export LC_ALL=C.UTF-8 + LC_ALL=C.UTF-8 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/CHANGELOG.md /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/CONTRIBUTING.md /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/README.md /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/VERSION /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/doc/mrchem + RPM_EC=0 ++ jobs -p + exit 0 Executing(%license): /bin/sh -e /var/tmp/rpm-tmp.iHFojV + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + cd mrchem-1.1.3 + LICENSEDIR=/builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/licenses/mrchem + export LC_ALL=C.UTF-8 + LC_ALL=C.UTF-8 + export LICENSEDIR + /usr/bin/mkdir -p /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/licenses/mrchem + cp -pr /builddir/build/BUILD/mrchem-1.1.3-build/mrchem-1.1.3/LICENSE /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT/usr/share/licenses/mrchem + RPM_EC=0 ++ jobs -p + exit 0 Provides: mrchem = 1.1.3-4.fc41 mrchem(x86-64) = 1.1.3-4.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/python3 libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.32)(64bit) libc.so.6(GLIBC_2.34)(64bit) libc.so.6(GLIBC_2.38)(64bit) libc.so.6(GLIBC_2.4)(64bit) libc.so.6(GLIBC_ABI_DT_RELR)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_3.3.1)(64bit) libgomp.so.1()(64bit) libgomp.so.1(GOMP_1.0)(64bit) libgomp.so.1(GOMP_4.0)(64bit) libgomp.so.1(GOMP_4.5)(64bit) libgomp.so.1(OMP_1.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libm.so.6(GLIBC_2.29)(64bit) libm.so.6(GLIBC_2.38)(64bit) libmrcpp.so.1()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.15)(64bit) libstdc++.so.6(CXXABI_1.3.9)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.14)(64bit) libstdc++.so.6(GLIBCXX_3.4.20)(64bit) libstdc++.so.6(GLIBCXX_3.4.21)(64bit) libstdc++.so.6(GLIBCXX_3.4.26)(64bit) libstdc++.so.6(GLIBCXX_3.4.29)(64bit) libstdc++.so.6(GLIBCXX_3.4.30)(64bit) libstdc++.so.6(GLIBCXX_3.4.32)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) libxcfun.so.2()(64bit) python(abi) = 3.12 rtld(GNU_HASH) Processing files: mrchem-devel-1.1.3-4.fc41.x86_64 Provides: mrchem-devel = 1.1.3-4.fc41 mrchem-devel(x86-64) = 1.1.3-4.fc41 mrchem-static(x86-64) = 1.1.3-4.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-data-1.1.3-4.fc41.noarch Provides: mrchem-data = 1.1.3-4.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-debugsource-1.1.3-4.fc41.x86_64 Provides: mrchem-debugsource = 1.1.3-4.fc41 mrchem-debugsource(x86-64) = 1.1.3-4.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: mrchem-debuginfo-1.1.3-4.fc41.x86_64 Provides: debuginfo(build-id) = 0f0176b0fa5841a69ec73f905781b7571cfd9635 mrchem-debuginfo = 1.1.3-4.fc41 mrchem-debuginfo(x86-64) = 1.1.3-4.fc41 Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Recommends: mrchem-debugsource(x86-64) = 1.1.3-4.fc41 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILD/mrchem-1.1.3-build/BUILDROOT Wrote: /builddir/build/RPMS/mrchem-devel-1.1.3-4.fc41.x86_64.rpm Wrote: /builddir/build/RPMS/mrchem-1.1.3-4.fc41.x86_64.rpm Wrote: /builddir/build/RPMS/mrchem-data-1.1.3-4.fc41.noarch.rpm Wrote: /builddir/build/RPMS/mrchem-debugsource-1.1.3-4.fc41.x86_64.rpm Wrote: /builddir/build/RPMS/mrchem-debuginfo-1.1.3-4.fc41.x86_64.rpm Executing(rmbuild): /bin/sh -e /var/tmp/rpm-tmp.DoQoZ6 + umask 022 + cd /builddir/build/BUILD/mrchem-1.1.3-build + test -d /builddir/build/BUILD/mrchem-1.1.3-build + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w /builddir/build/BUILD/mrchem-1.1.3-build + rm -rf /builddir/build/BUILD/mrchem-1.1.3-build + RPM_EC=0 ++ jobs -p + exit 0 Finish: rpmbuild mrchem-1.1.3-4.fc41.src.rpm Finish: build phase for mrchem-1.1.3-4.fc41.src.rpm INFO: chroot_scan: 1 files copied to /var/lib/copr-rpmbuild/results/chroot_scan INFO: /var/lib/mock/fedora-rawhide-x86_64-1717749984.660041/root/var/log/dnf5.log INFO: Done(/var/lib/copr-rpmbuild/results/mrchem-1.1.3-4.fc41.src.rpm) Config(child) 11 minutes 1 seconds INFO: Results and/or logs in: /var/lib/copr-rpmbuild/results INFO: Cleaning up build root ('cleanup_on_success=True') Start: clean chroot INFO: unmounting tmpfs. Finish: clean chroot Finish: run Running RPMResults tool Package info: { "packages": [ { "name": "mrchem-devel", "epoch": null, "version": "1.1.3", "release": "4.fc41", "arch": "x86_64" }, { "name": "mrchem", "epoch": null, "version": "1.1.3", "release": "4.fc41", "arch": "src" }, { "name": "mrchem-debuginfo", "epoch": null, "version": "1.1.3", "release": "4.fc41", "arch": "x86_64" }, { "name": "mrchem-debugsource", "epoch": null, "version": "1.1.3", "release": "4.fc41", "arch": "x86_64" }, { "name": "mrchem", "epoch": null, "version": "1.1.3", "release": "4.fc41", "arch": "x86_64" }, { "name": "mrchem-data", "epoch": null, "version": "1.1.3", "release": "4.fc41", "arch": "noarch" } ] } RPMResults finished