0s autopkgtest [20:31:13]: starting date and time: 2024-11-23 20:31:13+0000 0s autopkgtest [20:31:13]: git checkout: 6f3be7a8 Fix armhf LXD image generation for plucky 0s autopkgtest [20:31:13]: host juju-7f2275-prod-proposed-migration-environment-20; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.hbkedw5z/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:openmpi --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 --env=ADT_TEST_TRIGGERS=openmpi/5.0.5-6 -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-s390x --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-20@bos03-s390x-26.secgroup --name adt-plucky-s390x-gromacs-20241123-203113-juju-7f2275-prod-proposed-migration-environment-20-df0df0f4-4244-42dc-8e03-343ebb733e7c --image adt/ubuntu-plucky-s390x-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-20 --net-id=net_prod-proposed-migration-s390x -e TERM=linux -e ''"'"'http_proxy=http://squid.internal:3128'"'"'' -e ''"'"'https_proxy=http://squid.internal:3128'"'"'' -e ''"'"'no_proxy=127.0.0.1,127.0.1.1,login.ubuntu.com,localhost,localdomain,novalocal,internal,archive.ubuntu.com,ports.ubuntu.com,security.ubuntu.com,ddebs.ubuntu.com,changelogs.ubuntu.com,keyserver.ubuntu.com,launchpadlibrarian.net,launchpadcontent.net,launchpad.net,10.24.0.0/24,keystone.ps5.canonical.com,objectstorage.prodstack5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 101s autopkgtest [20:32:54]: testbed dpkg architecture: s390x 101s autopkgtest [20:32:54]: testbed apt version: 2.9.8 101s autopkgtest [20:32:54]: @@@@@@@@@@@@@@@@@@@@ test bed setup 102s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [73.9 kB] 102s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [13.6 kB] 103s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [54.8 kB] 103s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [9704 B] 103s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [930 kB] 103s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x Packages [70.6 kB] 103s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/restricted s390x Packages [756 B] 103s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x Packages [760 kB] 103s Get:9 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse s390x Packages [6452 B] 103s Fetched 1920 kB in 1s (2288 kB/s) 103s Reading package lists... 105s Reading package lists... 105s Building dependency tree... 105s Reading state information... 105s Calculating upgrade... 105s The following package was automatically installed and is no longer required: 105s libsgutils2-1.46-2 105s Use 'sudo apt autoremove' to remove it. 105s The following NEW packages will be installed: 105s libsgutils2-1.48 105s The following packages will be upgraded: 105s bash bpftrace curl debconf debconf-i18n distro-info gir1.2-girepository-2.0 105s gir1.2-glib-2.0 hostname libaudit-common libaudit1 libcurl3t64-gnutls 105s libcurl4t64 libgirepository-1.0-1 libglib2.0-0t64 libglib2.0-data 105s libpam-modules libpam-modules-bin libpam-runtime libpam0g libplymouth5 105s libselinux1 libsemanage-common libsemanage2 linux-base lxd-installer 105s openssh-client openssh-server openssh-sftp-server plymouth 105s plymouth-theme-ubuntu-text python3-blinker python3-debconf 105s python3-jsonschema-specifications python3-rpds-py python3-yaml sg3-utils 105s sg3-utils-udev vim-common vim-tiny xxd 106s 41 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. 106s Need to get 11.3 MB of archives. 106s After this operation, 2418 kB of additional disk space will be used. 106s Get:1 http://ftpmaster.internal/ubuntu plucky/main s390x bash s390x 5.2.32-1ubuntu2 [845 kB] 106s Get:2 http://ftpmaster.internal/ubuntu plucky/main s390x hostname s390x 3.25 [11.2 kB] 106s Get:3 http://ftpmaster.internal/ubuntu plucky/main s390x libaudit-common all 1:4.0.2-2ubuntu1 [6578 B] 106s Get:4 http://ftpmaster.internal/ubuntu plucky/main s390x libaudit1 s390x 1:4.0.2-2ubuntu1 [52.5 kB] 106s Get:5 http://ftpmaster.internal/ubuntu plucky/main s390x debconf-i18n all 1.5.87ubuntu1 [204 kB] 106s Get:6 http://ftpmaster.internal/ubuntu plucky/main s390x python3-debconf all 1.5.87ubuntu1 [4156 B] 106s Get:7 http://ftpmaster.internal/ubuntu plucky/main s390x debconf all 1.5.87ubuntu1 [124 kB] 106s Get:8 http://ftpmaster.internal/ubuntu plucky/main s390x libpam0g s390x 1.5.3-7ubuntu4 [70.0 kB] 106s Get:9 http://ftpmaster.internal/ubuntu plucky/main s390x libselinux1 s390x 3.7-3ubuntu1 [85.2 kB] 106s Get:10 http://ftpmaster.internal/ubuntu plucky/main s390x libpam-modules-bin s390x 1.5.3-7ubuntu4 [56.2 kB] 106s Get:11 http://ftpmaster.internal/ubuntu plucky/main s390x libpam-modules s390x 1.5.3-7ubuntu4 [294 kB] 106s Get:12 http://ftpmaster.internal/ubuntu plucky/main s390x openssh-sftp-server s390x 1:9.9p1-3ubuntu2 [38.2 kB] 106s Get:13 http://ftpmaster.internal/ubuntu plucky/main s390x openssh-server s390x 1:9.9p1-3ubuntu2 [552 kB] 106s Get:14 http://ftpmaster.internal/ubuntu plucky/main s390x openssh-client s390x 1:9.9p1-3ubuntu2 [955 kB] 106s Get:15 http://ftpmaster.internal/ubuntu plucky/main s390x libpam-runtime all 1.5.3-7ubuntu4 [40.8 kB] 106s Get:16 http://ftpmaster.internal/ubuntu plucky/main s390x libsemanage-common all 3.7-2build1 [7186 B] 106s Get:17 http://ftpmaster.internal/ubuntu plucky/main s390x libsemanage2 s390x 3.7-2build1 [97.1 kB] 106s Get:18 http://ftpmaster.internal/ubuntu plucky/main s390x distro-info s390x 1.12 [20.0 kB] 106s Get:19 http://ftpmaster.internal/ubuntu plucky/main s390x gir1.2-girepository-2.0 s390x 1.82.0-2 [25.0 kB] 106s Get:20 http://ftpmaster.internal/ubuntu plucky/main s390x gir1.2-glib-2.0 s390x 2.82.2-3 [180 kB] 106s Get:21 http://ftpmaster.internal/ubuntu plucky/main s390x libglib2.0-0t64 s390x 2.82.2-3 [1575 kB] 106s Get:22 http://ftpmaster.internal/ubuntu plucky/main s390x libgirepository-1.0-1 s390x 1.82.0-2 [84.9 kB] 106s Get:23 http://ftpmaster.internal/ubuntu plucky/main s390x libglib2.0-data all 2.82.2-3 [51.7 kB] 106s Get:24 http://ftpmaster.internal/ubuntu plucky/main s390x python3-yaml s390x 6.0.2-1build1 [188 kB] 106s Get:25 http://ftpmaster.internal/ubuntu plucky/main s390x vim-tiny s390x 2:9.1.0861-1ubuntu1 [664 kB] 106s Get:26 http://ftpmaster.internal/ubuntu plucky/main s390x vim-common all 2:9.1.0861-1ubuntu1 [395 kB] 106s Get:27 http://ftpmaster.internal/ubuntu plucky/main s390x xxd s390x 2:9.1.0861-1ubuntu1 [66.6 kB] 106s Get:28 http://ftpmaster.internal/ubuntu plucky/main s390x libplymouth5 s390x 24.004.60-2ubuntu3 [150 kB] 106s Get:29 http://ftpmaster.internal/ubuntu plucky/main s390x plymouth-theme-ubuntu-text s390x 24.004.60-2ubuntu3 [10.1 kB] 106s Get:30 http://ftpmaster.internal/ubuntu plucky/main s390x plymouth s390x 24.004.60-2ubuntu3 [144 kB] 106s Get:31 http://ftpmaster.internal/ubuntu plucky/main s390x bpftrace s390x 0.21.2-2ubuntu3 [1718 kB] 106s Get:32 http://ftpmaster.internal/ubuntu plucky/main s390x curl s390x 8.9.1-2ubuntu3 [241 kB] 107s Get:33 http://ftpmaster.internal/ubuntu plucky/main s390x libcurl4t64 s390x 8.9.1-2ubuntu3 [386 kB] 107s Get:34 http://ftpmaster.internal/ubuntu plucky/main s390x libcurl3t64-gnutls s390x 8.9.1-2ubuntu3 [379 kB] 107s Get:35 http://ftpmaster.internal/ubuntu plucky/main s390x libsgutils2-1.48 s390x 1.48-0ubuntu1 [120 kB] 107s Get:36 http://ftpmaster.internal/ubuntu plucky/main s390x linux-base all 4.10.1ubuntu1 [34.8 kB] 107s Get:37 http://ftpmaster.internal/ubuntu plucky/main s390x lxd-installer all 10 [5264 B] 107s Get:38 http://ftpmaster.internal/ubuntu plucky/main s390x python3-blinker all 1.9.0-1 [10.7 kB] 107s Get:39 http://ftpmaster.internal/ubuntu plucky/main s390x python3-rpds-py s390x 0.21.0-2ubuntu1 [368 kB] 107s Get:40 http://ftpmaster.internal/ubuntu plucky/main s390x python3-jsonschema-specifications all 2023.12.1-2 [9116 B] 107s Get:41 http://ftpmaster.internal/ubuntu plucky/main s390x sg3-utils s390x 1.48-0ubuntu1 [1027 kB] 107s Get:42 http://ftpmaster.internal/ubuntu plucky/main s390x sg3-utils-udev all 1.48-0ubuntu1 [6608 B] 107s Preconfiguring packages ... 107s Fetched 11.3 MB in 1s (9040 kB/s) 107s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 107s Preparing to unpack .../bash_5.2.32-1ubuntu2_s390x.deb ... 107s Unpacking bash (5.2.32-1ubuntu2) over (5.2.32-1ubuntu1) ... 107s Setting up bash (5.2.32-1ubuntu2) ... 107s update-alternatives: using /usr/share/man/man7/bash-builtins.7.gz to provide /usr/share/man/man7/builtins.7.gz (builtins.7.gz) in auto mode 107s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 107s Preparing to unpack .../hostname_3.25_s390x.deb ... 107s Unpacking hostname (3.25) over (3.23+nmu2ubuntu2) ... 107s Setting up hostname (3.25) ... 107s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 107s Preparing to unpack .../libaudit-common_1%3a4.0.2-2ubuntu1_all.deb ... 107s Unpacking libaudit-common (1:4.0.2-2ubuntu1) over (1:4.0.1-1ubuntu2) ... 107s Setting up libaudit-common (1:4.0.2-2ubuntu1) ... 107s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 107s Preparing to unpack .../libaudit1_1%3a4.0.2-2ubuntu1_s390x.deb ... 107s Unpacking libaudit1:s390x (1:4.0.2-2ubuntu1) over (1:4.0.1-1ubuntu2) ... 107s Setting up libaudit1:s390x (1:4.0.2-2ubuntu1) ... 107s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 107s Preparing to unpack .../debconf-i18n_1.5.87ubuntu1_all.deb ... 107s Unpacking debconf-i18n (1.5.87ubuntu1) over (1.5.86ubuntu1) ... 107s Preparing to unpack .../python3-debconf_1.5.87ubuntu1_all.deb ... 107s Unpacking python3-debconf (1.5.87ubuntu1) over (1.5.86ubuntu1) ... 107s Preparing to unpack .../debconf_1.5.87ubuntu1_all.deb ... 107s Unpacking debconf (1.5.87ubuntu1) over (1.5.86ubuntu1) ... 107s Setting up debconf (1.5.87ubuntu1) ... 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 108s Preparing to unpack .../libpam0g_1.5.3-7ubuntu4_s390x.deb ... 108s Unpacking libpam0g:s390x (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 108s Setting up libpam0g:s390x (1.5.3-7ubuntu4) ... 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 108s Preparing to unpack .../libselinux1_3.7-3ubuntu1_s390x.deb ... 108s Unpacking libselinux1:s390x (3.7-3ubuntu1) over (3.5-2ubuntu5) ... 108s Setting up libselinux1:s390x (3.7-3ubuntu1) ... 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 108s Preparing to unpack .../libpam-modules-bin_1.5.3-7ubuntu4_s390x.deb ... 108s Unpacking libpam-modules-bin (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 108s Setting up libpam-modules-bin (1.5.3-7ubuntu4) ... 108s pam_namespace.service is a disabled or a static unit not running, not starting it. 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 108s Preparing to unpack .../libpam-modules_1.5.3-7ubuntu4_s390x.deb ... 108s Unpacking libpam-modules:s390x (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 108s Setting up libpam-modules:s390x (1.5.3-7ubuntu4) ... 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55541 files and directories currently installed.) 108s Preparing to unpack .../openssh-sftp-server_1%3a9.9p1-3ubuntu2_s390x.deb ... 108s Unpacking openssh-sftp-server (1:9.9p1-3ubuntu2) over (1:9.7p1-7ubuntu5) ... 108s Preparing to unpack .../openssh-server_1%3a9.9p1-3ubuntu2_s390x.deb ... 108s Unpacking openssh-server (1:9.9p1-3ubuntu2) over (1:9.7p1-7ubuntu5) ... 108s Preparing to unpack .../openssh-client_1%3a9.9p1-3ubuntu2_s390x.deb ... 108s Unpacking openssh-client (1:9.9p1-3ubuntu2) over (1:9.7p1-7ubuntu5) ... 108s Preparing to unpack .../libpam-runtime_1.5.3-7ubuntu4_all.deb ... 108s Unpacking libpam-runtime (1.5.3-7ubuntu4) over (1.5.3-7ubuntu2) ... 108s Setting up libpam-runtime (1.5.3-7ubuntu4) ... 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55543 files and directories currently installed.) 108s Preparing to unpack .../libsemanage-common_3.7-2build1_all.deb ... 108s Unpacking libsemanage-common (3.7-2build1) over (3.5-1build6) ... 108s Setting up libsemanage-common (3.7-2build1) ... 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55542 files and directories currently installed.) 108s Preparing to unpack .../libsemanage2_3.7-2build1_s390x.deb ... 108s Unpacking libsemanage2:s390x (3.7-2build1) over (3.5-1build6) ... 108s Setting up libsemanage2:s390x (3.7-2build1) ... 109s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55542 files and directories currently installed.) 109s Preparing to unpack .../00-distro-info_1.12_s390x.deb ... 109s Unpacking distro-info (1.12) over (1.9) ... 109s Preparing to unpack .../01-gir1.2-girepository-2.0_1.82.0-2_s390x.deb ... 109s Unpacking gir1.2-girepository-2.0:s390x (1.82.0-2) over (1.80.1-4) ... 109s Preparing to unpack .../02-gir1.2-glib-2.0_2.82.2-3_s390x.deb ... 109s Unpacking gir1.2-glib-2.0:s390x (2.82.2-3) over (2.82.1-0ubuntu1) ... 109s Preparing to unpack .../03-libglib2.0-0t64_2.82.2-3_s390x.deb ... 109s Unpacking libglib2.0-0t64:s390x (2.82.2-3) over (2.82.1-0ubuntu1) ... 109s Preparing to unpack .../04-libgirepository-1.0-1_1.82.0-2_s390x.deb ... 109s Unpacking libgirepository-1.0-1:s390x (1.82.0-2) over (1.80.1-4) ... 109s Preparing to unpack .../05-libglib2.0-data_2.82.2-3_all.deb ... 109s Unpacking libglib2.0-data (2.82.2-3) over (2.82.1-0ubuntu1) ... 109s Preparing to unpack .../06-python3-yaml_6.0.2-1build1_s390x.deb ... 109s Unpacking python3-yaml (6.0.2-1build1) over (6.0.2-1) ... 109s Preparing to unpack .../07-vim-tiny_2%3a9.1.0861-1ubuntu1_s390x.deb ... 109s Unpacking vim-tiny (2:9.1.0861-1ubuntu1) over (2:9.1.0777-1ubuntu1) ... 109s Preparing to unpack .../08-vim-common_2%3a9.1.0861-1ubuntu1_all.deb ... 109s Unpacking vim-common (2:9.1.0861-1ubuntu1) over (2:9.1.0777-1ubuntu1) ... 109s Preparing to unpack .../09-xxd_2%3a9.1.0861-1ubuntu1_s390x.deb ... 109s Unpacking xxd (2:9.1.0861-1ubuntu1) over (2:9.1.0777-1ubuntu1) ... 109s Preparing to unpack .../10-libplymouth5_24.004.60-2ubuntu3_s390x.deb ... 109s Unpacking libplymouth5:s390x (24.004.60-2ubuntu3) over (24.004.60-1ubuntu11) ... 109s Preparing to unpack .../11-plymouth-theme-ubuntu-text_24.004.60-2ubuntu3_s390x.deb ... 109s Unpacking plymouth-theme-ubuntu-text (24.004.60-2ubuntu3) over (24.004.60-1ubuntu11) ... 109s Preparing to unpack .../12-plymouth_24.004.60-2ubuntu3_s390x.deb ... 109s Unpacking plymouth (24.004.60-2ubuntu3) over (24.004.60-1ubuntu11) ... 109s Preparing to unpack .../13-bpftrace_0.21.2-2ubuntu3_s390x.deb ... 109s Unpacking bpftrace (0.21.2-2ubuntu3) over (0.21.2-2ubuntu2) ... 109s Preparing to unpack .../14-curl_8.9.1-2ubuntu3_s390x.deb ... 109s Unpacking curl (8.9.1-2ubuntu3) over (8.9.1-2ubuntu2) ... 109s Preparing to unpack .../15-libcurl4t64_8.9.1-2ubuntu3_s390x.deb ... 109s Unpacking libcurl4t64:s390x (8.9.1-2ubuntu3) over (8.9.1-2ubuntu2) ... 109s Preparing to unpack .../16-libcurl3t64-gnutls_8.9.1-2ubuntu3_s390x.deb ... 109s Unpacking libcurl3t64-gnutls:s390x (8.9.1-2ubuntu3) over (8.9.1-2ubuntu2) ... 109s Selecting previously unselected package libsgutils2-1.48:s390x. 109s Preparing to unpack .../17-libsgutils2-1.48_1.48-0ubuntu1_s390x.deb ... 109s Unpacking libsgutils2-1.48:s390x (1.48-0ubuntu1) ... 109s Preparing to unpack .../18-linux-base_4.10.1ubuntu1_all.deb ... 109s Unpacking linux-base (4.10.1ubuntu1) over (4.5ubuntu9) ... 109s Preparing to unpack .../19-lxd-installer_10_all.deb ... 109s Unpacking lxd-installer (10) over (9) ... 109s Preparing to unpack .../20-python3-blinker_1.9.0-1_all.deb ... 109s Unpacking python3-blinker (1.9.0-1) over (1.8.2-1) ... 109s Preparing to unpack .../21-python3-rpds-py_0.21.0-2ubuntu1_s390x.deb ... 109s Unpacking python3-rpds-py (0.21.0-2ubuntu1) over (0.20.0-0ubuntu3) ... 109s Preparing to unpack .../22-python3-jsonschema-specifications_2023.12.1-2_all.deb ... 109s Unpacking python3-jsonschema-specifications (2023.12.1-2) over (2023.12.1-1ubuntu1) ... 109s Preparing to unpack .../23-sg3-utils_1.48-0ubuntu1_s390x.deb ... 109s Unpacking sg3-utils (1.48-0ubuntu1) over (1.46-3ubuntu5) ... 109s Preparing to unpack .../24-sg3-utils-udev_1.48-0ubuntu1_all.deb ... 109s Unpacking sg3-utils-udev (1.48-0ubuntu1) over (1.46-3ubuntu5) ... 109s Setting up distro-info (1.12) ... 109s Setting up linux-base (4.10.1ubuntu1) ... 109s Setting up libcurl4t64:s390x (8.9.1-2ubuntu3) ... 109s Setting up bpftrace (0.21.2-2ubuntu3) ... 109s Setting up openssh-client (1:9.9p1-3ubuntu2) ... 109s Setting up python3-debconf (1.5.87ubuntu1) ... 109s Setting up libcurl3t64-gnutls:s390x (8.9.1-2ubuntu3) ... 109s Setting up libsgutils2-1.48:s390x (1.48-0ubuntu1) ... 109s Setting up python3-yaml (6.0.2-1build1) ... 109s Setting up debconf-i18n (1.5.87ubuntu1) ... 109s Setting up xxd (2:9.1.0861-1ubuntu1) ... 109s Setting up libglib2.0-0t64:s390x (2.82.2-3) ... 109s No schema files found: doing nothing. 109s Setting up libglib2.0-data (2.82.2-3) ... 109s Setting up vim-common (2:9.1.0861-1ubuntu1) ... 109s Setting up gir1.2-glib-2.0:s390x (2.82.2-3) ... 109s Setting up lxd-installer (10) ... 110s Setting up python3-rpds-py (0.21.0-2ubuntu1) ... 110s Setting up libplymouth5:s390x (24.004.60-2ubuntu3) ... 110s Setting up libgirepository-1.0-1:s390x (1.82.0-2) ... 110s Setting up curl (8.9.1-2ubuntu3) ... 110s Setting up python3-jsonschema-specifications (2023.12.1-2) ... 110s Setting up sg3-utils (1.48-0ubuntu1) ... 110s Setting up python3-blinker (1.9.0-1) ... 110s Setting up openssh-sftp-server (1:9.9p1-3ubuntu2) ... 110s Setting up openssh-server (1:9.9p1-3ubuntu2) ... 110s Installing new version of config file /etc/ssh/moduli ... 110s Replacing config file /etc/ssh/sshd_config with new version 111s Setting up plymouth (24.004.60-2ubuntu3) ... 111s update-initramfs: Generating /boot/initrd.img-6.11.0-8-generic 111s W: No lz4 in /usr/bin:/sbin:/bin, using gzip 113s Using config file '/etc/zipl.conf' 113s Building bootmap in '/boot' 113s Adding IPL section 'ubuntu' (default) 113s Preparing boot device for LD-IPL: vda (0000). 113s Done. 113s update-rc.d: warning: start and stop actions are no longer supported; falling back to defaults 113s update-rc.d: warning: start and stop actions are no longer supported; falling back to defaults 113s Setting up vim-tiny (2:9.1.0861-1ubuntu1) ... 113s Setting up sg3-utils-udev (1.48-0ubuntu1) ... 114s update-initramfs: deferring update (trigger activated) 114s Setting up plymouth-theme-ubuntu-text (24.004.60-2ubuntu3) ... 114s update-initramfs: deferring update (trigger activated) 114s Setting up gir1.2-girepository-2.0:s390x (1.82.0-2) ... 114s Processing triggers for install-info (7.1.1-1) ... 114s Processing triggers for initramfs-tools (0.142ubuntu35) ... 114s update-initramfs: Generating /boot/initrd.img-6.11.0-8-generic 114s W: No lz4 in /usr/bin:/sbin:/bin, using gzip 116s Using config file '/etc/zipl.conf' 116s Building bootmap in '/boot' 116s Adding IPL section 'ubuntu' (default) 116s Preparing boot device for LD-IPL: vda (0000). 116s Done. 116s Processing triggers for libc-bin (2.40-1ubuntu3) ... 116s Processing triggers for ufw (0.36.2-8) ... 116s Processing triggers for man-db (2.13.0-1) ... 117s Processing triggers for debianutils (5.21) ... 117s Reading package lists... 117s Building dependency tree... 117s Reading state information... 117s The following packages will be REMOVED: 117s libsgutils2-1.46-2* 118s 0 upgraded, 0 newly installed, 1 to remove and 0 not upgraded. 118s After this operation, 294 kB disk space will be freed. 118s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55573 files and directories currently installed.) 118s Removing libsgutils2-1.46-2:s390x (1.46-3ubuntu5) ... 118s Processing triggers for libc-bin (2.40-1ubuntu3) ... 118s Hit:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease 118s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 118s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 118s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 119s Reading package lists... 119s Reading package lists... 119s Building dependency tree... 119s Reading state information... 119s Calculating upgrade... 119s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 119s Reading package lists... 120s Building dependency tree... 120s Reading state information... 120s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 120s autopkgtest [20:33:13]: rebooting testbed after setup commands that affected boot 124s autopkgtest-virt-ssh: WARNING: ssh connection failed. Retrying in 3 seconds... 139s autopkgtest [20:33:32]: testbed running kernel: Linux 6.11.0-8-generic #8-Ubuntu SMP Mon Sep 16 12:49:35 UTC 2024 142s autopkgtest [20:33:35]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 151s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (dsc) [3648 B] 151s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [48.1 MB] 151s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [42.4 MB] 151s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (diff) [37.8 kB] 151s gpgv: Signature made Sat May 11 22:19:23 2024 UTC 151s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 151s gpgv: issuer "nbreen@debian.org" 151s gpgv: Can't check signature: No public key 151s dpkg-source: warning: cannot verify inline signature for ./gromacs_2024.2-1.dsc: no acceptable signature found 152s autopkgtest [20:33:45]: testing package gromacs version 2024.2-1 153s autopkgtest [20:33:46]: build not needed 171s autopkgtest [20:34:04]: test gromacs-regressiontests: preparing testbed 176s Reading package lists... 176s Building dependency tree... 176s Reading state information... 176s Starting pkgProblemResolver with broken count: 0 176s Starting 2 pkgProblemResolver with broken count: 0 176s Done 176s The following additional packages will be installed: 176s build-essential cpp cpp-14 cpp-14-s390x-linux-gnu cpp-s390x-linux-gnu 176s fonts-mathjax g++ g++-14 g++-14-s390x-linux-gnu g++-s390x-linux-gnu gcc 176s gcc-14 gcc-14-s390x-linux-gnu gcc-s390x-linux-gnu gromacs gromacs-data 176s libasan8 libblas3 libcc1-0 libevent-pthreads-2.1-7t64 libfabric1 176s libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 libfftw3-single3 176s libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev libgromacs9 176s libhwloc-plugins libhwloc15 libisl23 libitm1 libjs-mathjax liblapack3 176s libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 176s libopenmpi3t64 libpciaccess0 libpmix2t64 librdmacm1t64 libstdc++-14-dev 176s libubsan1 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 176s openmpi-common 176s Suggested packages: 176s cpp-doc gcc-14-locales cpp-14-doc gcc-14-doc gcc-multilib manpages-dev 176s autoconf automake libtool flex bison gdb gcc-doc gdb-s390x-linux-gnu pymol 176s libfftw3-doc mpi-default-dev zlib1g-dev fonts-mathjax-extras fonts-stix 176s libjs-mathjax-doc libstdc++-14-doc opencl-icd gfortran | fortran-compiler 176s The following NEW packages will be installed: 176s autopkgtest-satdep build-essential cpp cpp-14 cpp-14-s390x-linux-gnu 176s cpp-s390x-linux-gnu fonts-mathjax g++ g++-14 g++-14-s390x-linux-gnu 176s g++-s390x-linux-gnu gcc gcc-14 gcc-14-s390x-linux-gnu gcc-s390x-linux-gnu 176s gromacs gromacs-data libasan8 libblas3 libcc1-0 libevent-pthreads-2.1-7t64 176s libfabric1 libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 176s libfftw3-single3 libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev 176s libgromacs9 libhwloc-plugins libhwloc15 libisl23 libitm1 libjs-mathjax 176s liblapack3 libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 176s libopenmpi3t64 libpciaccess0 libpmix2t64 librdmacm1t64 libstdc++-14-dev 176s libubsan1 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 176s openmpi-common 176s 0 upgraded, 54 newly installed, 0 to remove and 0 not upgraded. 176s Need to get 137 MB/137 MB of archives. 176s After this operation, 623 MB of additional disk space will be used. 176s Get:1 /tmp/autopkgtest.tok9Wt/1-autopkgtest-satdep.deb autopkgtest-satdep s390x 0 [768 B] 176s Get:2 http://ftpmaster.internal/ubuntu plucky/main s390x libisl23 s390x 0.27-1 [704 kB] 177s Get:3 http://ftpmaster.internal/ubuntu plucky/main s390x libmpc3 s390x 1.3.1-1build2 [57.8 kB] 177s Get:4 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-14-s390x-linux-gnu s390x 14.2.0-8ubuntu1 [9570 kB] 177s Get:5 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-14 s390x 14.2.0-8ubuntu1 [1026 B] 177s Get:6 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-s390x-linux-gnu s390x 4:14.1.0-2ubuntu1 [5452 B] 177s Get:7 http://ftpmaster.internal/ubuntu plucky/main s390x cpp s390x 4:14.1.0-2ubuntu1 [22.4 kB] 177s Get:8 http://ftpmaster.internal/ubuntu plucky/main s390x libcc1-0 s390x 14.2.0-8ubuntu1 [50.6 kB] 177s Get:9 http://ftpmaster.internal/ubuntu plucky/main s390x libgomp1 s390x 14.2.0-8ubuntu1 [151 kB] 177s Get:10 http://ftpmaster.internal/ubuntu plucky/main s390x libitm1 s390x 14.2.0-8ubuntu1 [30.9 kB] 177s Get:11 http://ftpmaster.internal/ubuntu plucky/main s390x libasan8 s390x 14.2.0-8ubuntu1 [2963 kB] 177s Get:12 http://ftpmaster.internal/ubuntu plucky/main s390x libubsan1 s390x 14.2.0-8ubuntu1 [1184 kB] 177s Get:13 http://ftpmaster.internal/ubuntu plucky/main s390x libgcc-14-dev s390x 14.2.0-8ubuntu1 [1037 kB] 177s Get:14 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-14-s390x-linux-gnu s390x 14.2.0-8ubuntu1 [18.7 MB] 178s Get:15 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-14 s390x 14.2.0-8ubuntu1 [518 kB] 178s Get:16 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-s390x-linux-gnu s390x 4:14.1.0-2ubuntu1 [1204 B] 178s Get:17 http://ftpmaster.internal/ubuntu plucky/main s390x gcc s390x 4:14.1.0-2ubuntu1 [4996 B] 178s Get:18 http://ftpmaster.internal/ubuntu plucky/main s390x libstdc++-14-dev s390x 14.2.0-8ubuntu1 [2608 kB] 178s Get:19 http://ftpmaster.internal/ubuntu plucky/main s390x g++-14-s390x-linux-gnu s390x 14.2.0-8ubuntu1 [11.0 MB] 178s Get:20 http://ftpmaster.internal/ubuntu plucky/main s390x g++-14 s390x 14.2.0-8ubuntu1 [19.9 kB] 178s Get:21 http://ftpmaster.internal/ubuntu plucky/main s390x g++-s390x-linux-gnu s390x 4:14.1.0-2ubuntu1 [956 B] 178s Get:22 http://ftpmaster.internal/ubuntu plucky/main s390x g++ s390x 4:14.1.0-2ubuntu1 [1076 B] 178s Get:23 http://ftpmaster.internal/ubuntu plucky/main s390x build-essential s390x 12.10ubuntu1 [4930 B] 178s Get:24 http://ftpmaster.internal/ubuntu plucky/main s390x fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 178s Get:25 http://ftpmaster.internal/ubuntu plucky/main s390x libblas3 s390x 3.12.0-3build2 [238 kB] 178s Get:26 http://ftpmaster.internal/ubuntu plucky/main s390x libevent-pthreads-2.1-7t64 s390x 2.1.12-stable-10 [7870 B] 178s Get:27 http://ftpmaster.internal/ubuntu plucky/main s390x librdmacm1t64 s390x 52.0-2ubuntu1 [73.8 kB] 178s Get:28 http://ftpmaster.internal/ubuntu plucky/universe s390x libfabric1 s390x 1.17.0-3ubuntu1 [558 kB] 178s Get:29 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-double3 s390x 3.3.10-1ubuntu4 [511 kB] 178s Get:30 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-long3 s390x 3.3.10-1ubuntu4 [533 kB] 178s Get:31 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-single3 s390x 3.3.10-1ubuntu4 [482 kB] 178s Get:32 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-bin s390x 3.3.10-1ubuntu4 [36.4 kB] 178s Get:33 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-dev s390x 3.3.10-1ubuntu4 [1326 kB] 178s Get:34 http://ftpmaster.internal/ubuntu plucky/main s390x libgfortran5 s390x 14.2.0-8ubuntu1 [587 kB] 178s Get:35 http://ftpmaster.internal/ubuntu plucky/universe s390x libhwloc15 s390x 2.11.2-1 [176 kB] 178s Get:36 http://ftpmaster.internal/ubuntu plucky/main s390x liblapack3 s390x 3.12.0-3build2 [2953 kB] 178s Get:37 http://ftpmaster.internal/ubuntu plucky/universe s390x libmuparser2v5 s390x 2.3.4-1 [138 kB] 178s Get:38 http://ftpmaster.internal/ubuntu plucky/universe s390x libmunge2 s390x 0.5.15-4build1 [15.6 kB] 178s Get:39 http://ftpmaster.internal/ubuntu plucky/main s390x libpciaccess0 s390x 0.17-3build1 [19.0 kB] 178s Get:40 http://ftpmaster.internal/ubuntu plucky/main s390x libxnvctrl0 s390x 510.47.03-0ubuntu4 [12.7 kB] 178s Get:41 http://ftpmaster.internal/ubuntu plucky/universe s390x ocl-icd-libopencl1 s390x 2.3.2-1build1 [41.1 kB] 178s Get:42 http://ftpmaster.internal/ubuntu plucky/universe s390x libhwloc-plugins s390x 2.11.2-1 [16.1 kB] 178s Get:43 http://ftpmaster.internal/ubuntu plucky/universe s390x libpmix2t64 s390x 5.0.3-2 [718 kB] 178s Get:44 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x libopenmpi3t64 s390x 5.0.5-6 [2104 kB] 178s Get:45 http://ftpmaster.internal/ubuntu plucky/universe s390x libgromacs9 s390x 2024.2-1 [27.8 MB] 180s Get:46 http://ftpmaster.internal/ubuntu plucky/universe s390x libnblib-gmx0 s390x 2024.2-1 [250 kB] 180s Get:47 http://ftpmaster.internal/ubuntu plucky/universe s390x libnblib-gmx-dev s390x 2024.2-1 [26.2 kB] 180s Get:48 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x openmpi-common all 5.0.5-6 [95.6 kB] 180s Get:49 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x openmpi-bin s390x 5.0.5-6 [175 kB] 180s Get:50 http://ftpmaster.internal/ubuntu plucky/main s390x libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 180s Get:51 http://ftpmaster.internal/ubuntu plucky/universe s390x gromacs-data all 2024.2-1 [41.0 MB] 182s Get:52 http://ftpmaster.internal/ubuntu plucky/universe s390x gromacs s390x 2024.2-1 [57.1 kB] 182s Get:53 http://ftpmaster.internal/ubuntu plucky/universe s390x libgromacs-dev s390x 2024.2-1 [168 kB] 182s Get:54 http://ftpmaster.internal/ubuntu plucky/universe s390x mpi-default-bin s390x 1.17 [2296 B] 182s Fetched 137 MB in 5s (24.9 MB/s) 182s Selecting previously unselected package libisl23:s390x. 182s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 55568 files and directories currently installed.) 182s Preparing to unpack .../00-libisl23_0.27-1_s390x.deb ... 182s Unpacking libisl23:s390x (0.27-1) ... 182s Selecting previously unselected package libmpc3:s390x. 182s Preparing to unpack .../01-libmpc3_1.3.1-1build2_s390x.deb ... 182s Unpacking libmpc3:s390x (1.3.1-1build2) ... 182s Selecting previously unselected package cpp-14-s390x-linux-gnu. 182s Preparing to unpack .../02-cpp-14-s390x-linux-gnu_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking cpp-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package cpp-14. 182s Preparing to unpack .../03-cpp-14_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking cpp-14 (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package cpp-s390x-linux-gnu. 182s Preparing to unpack .../04-cpp-s390x-linux-gnu_4%3a14.1.0-2ubuntu1_s390x.deb ... 182s Unpacking cpp-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 182s Selecting previously unselected package cpp. 182s Preparing to unpack .../05-cpp_4%3a14.1.0-2ubuntu1_s390x.deb ... 182s Unpacking cpp (4:14.1.0-2ubuntu1) ... 182s Selecting previously unselected package libcc1-0:s390x. 182s Preparing to unpack .../06-libcc1-0_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking libcc1-0:s390x (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package libgomp1:s390x. 182s Preparing to unpack .../07-libgomp1_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking libgomp1:s390x (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package libitm1:s390x. 182s Preparing to unpack .../08-libitm1_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking libitm1:s390x (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package libasan8:s390x. 182s Preparing to unpack .../09-libasan8_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking libasan8:s390x (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package libubsan1:s390x. 182s Preparing to unpack .../10-libubsan1_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking libubsan1:s390x (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package libgcc-14-dev:s390x. 182s Preparing to unpack .../11-libgcc-14-dev_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking libgcc-14-dev:s390x (14.2.0-8ubuntu1) ... 182s Selecting previously unselected package gcc-14-s390x-linux-gnu. 182s Preparing to unpack .../12-gcc-14-s390x-linux-gnu_14.2.0-8ubuntu1_s390x.deb ... 182s Unpacking gcc-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 183s Selecting previously unselected package gcc-14. 183s Preparing to unpack .../13-gcc-14_14.2.0-8ubuntu1_s390x.deb ... 183s Unpacking gcc-14 (14.2.0-8ubuntu1) ... 183s Selecting previously unselected package gcc-s390x-linux-gnu. 183s Preparing to unpack .../14-gcc-s390x-linux-gnu_4%3a14.1.0-2ubuntu1_s390x.deb ... 183s Unpacking gcc-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 183s Selecting previously unselected package gcc. 183s Preparing to unpack .../15-gcc_4%3a14.1.0-2ubuntu1_s390x.deb ... 183s Unpacking gcc (4:14.1.0-2ubuntu1) ... 183s Selecting previously unselected package libstdc++-14-dev:s390x. 183s Preparing to unpack .../16-libstdc++-14-dev_14.2.0-8ubuntu1_s390x.deb ... 183s Unpacking libstdc++-14-dev:s390x (14.2.0-8ubuntu1) ... 183s Selecting previously unselected package g++-14-s390x-linux-gnu. 183s Preparing to unpack .../17-g++-14-s390x-linux-gnu_14.2.0-8ubuntu1_s390x.deb ... 183s Unpacking g++-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 183s Selecting previously unselected package g++-14. 183s Preparing to unpack .../18-g++-14_14.2.0-8ubuntu1_s390x.deb ... 183s Unpacking g++-14 (14.2.0-8ubuntu1) ... 183s Selecting previously unselected package g++-s390x-linux-gnu. 183s Preparing to unpack .../19-g++-s390x-linux-gnu_4%3a14.1.0-2ubuntu1_s390x.deb ... 183s Unpacking g++-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 183s Selecting previously unselected package g++. 183s Preparing to unpack .../20-g++_4%3a14.1.0-2ubuntu1_s390x.deb ... 183s Unpacking g++ (4:14.1.0-2ubuntu1) ... 183s Selecting previously unselected package build-essential. 183s Preparing to unpack .../21-build-essential_12.10ubuntu1_s390x.deb ... 183s Unpacking build-essential (12.10ubuntu1) ... 183s Selecting previously unselected package fonts-mathjax. 183s Preparing to unpack .../22-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 183s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 183s Selecting previously unselected package libblas3:s390x. 183s Preparing to unpack .../23-libblas3_3.12.0-3build2_s390x.deb ... 183s Unpacking libblas3:s390x (3.12.0-3build2) ... 183s Selecting previously unselected package libevent-pthreads-2.1-7t64:s390x. 183s Preparing to unpack .../24-libevent-pthreads-2.1-7t64_2.1.12-stable-10_s390x.deb ... 183s Unpacking libevent-pthreads-2.1-7t64:s390x (2.1.12-stable-10) ... 183s Selecting previously unselected package librdmacm1t64:s390x. 183s Preparing to unpack .../25-librdmacm1t64_52.0-2ubuntu1_s390x.deb ... 183s Unpacking librdmacm1t64:s390x (52.0-2ubuntu1) ... 183s Selecting previously unselected package libfabric1:s390x. 183s Preparing to unpack .../26-libfabric1_1.17.0-3ubuntu1_s390x.deb ... 183s Unpacking libfabric1:s390x (1.17.0-3ubuntu1) ... 183s Selecting previously unselected package libfftw3-double3:s390x. 183s Preparing to unpack .../27-libfftw3-double3_3.3.10-1ubuntu4_s390x.deb ... 183s Unpacking libfftw3-double3:s390x (3.3.10-1ubuntu4) ... 183s Selecting previously unselected package libfftw3-long3:s390x. 183s 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unpack .../33-libhwloc15_2.11.2-1_s390x.deb ... 183s Unpacking libhwloc15:s390x (2.11.2-1) ... 183s Selecting previously unselected package liblapack3:s390x. 183s Preparing to unpack .../34-liblapack3_3.12.0-3build2_s390x.deb ... 183s Unpacking liblapack3:s390x (3.12.0-3build2) ... 183s Selecting previously unselected package libmuparser2v5:s390x. 183s Preparing to unpack .../35-libmuparser2v5_2.3.4-1_s390x.deb ... 183s Unpacking libmuparser2v5:s390x (2.3.4-1) ... 183s Selecting previously unselected package libmunge2:s390x. 183s Preparing to unpack .../36-libmunge2_0.5.15-4build1_s390x.deb ... 183s Unpacking libmunge2:s390x (0.5.15-4build1) ... 183s Selecting previously unselected package libpciaccess0:s390x. 183s Preparing to unpack .../37-libpciaccess0_0.17-3build1_s390x.deb ... 183s Unpacking libpciaccess0:s390x (0.17-3build1) ... 183s Selecting previously unselected package libxnvctrl0:s390x. 183s Preparing to unpack .../38-libxnvctrl0_510.47.03-0ubuntu4_s390x.deb ... 183s 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184s Selecting previously unselected package libnblib-gmx0:s390x. 184s Preparing to unpack .../44-libnblib-gmx0_2024.2-1_s390x.deb ... 184s Unpacking libnblib-gmx0:s390x (2024.2-1) ... 184s Selecting previously unselected package libnblib-gmx-dev. 184s Preparing to unpack .../45-libnblib-gmx-dev_2024.2-1_s390x.deb ... 184s Unpacking libnblib-gmx-dev (2024.2-1) ... 184s Selecting previously unselected package openmpi-common. 184s Preparing to unpack .../46-openmpi-common_5.0.5-6_all.deb ... 184s Unpacking openmpi-common (5.0.5-6) ... 184s Selecting previously unselected package openmpi-bin. 184s Preparing to unpack .../47-openmpi-bin_5.0.5-6_s390x.deb ... 184s Unpacking openmpi-bin (5.0.5-6) ... 184s Selecting previously unselected package libjs-mathjax. 184s Preparing to unpack .../48-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 184s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 185s Selecting previously unselected package gromacs-data. 185s Preparing to unpack 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libgomp1:s390x (14.2.0-8ubuntu1) ... 187s Setting up libxnvctrl0:s390x (510.47.03-0ubuntu4) ... 187s Setting up libblas3:s390x (3.12.0-3build2) ... 187s update-alternatives: using /usr/lib/s390x-linux-gnu/blas/libblas.so.3 to provide /usr/lib/s390x-linux-gnu/libblas.so.3 (libblas.so.3-s390x-linux-gnu) in auto mode 187s Setting up libmunge2:s390x (0.5.15-4build1) ... 187s Setting up libhwloc15:s390x (2.11.2-1) ... 187s Setting up libmpc3:s390x (1.3.1-1build2) ... 187s Setting up libfftw3-double3:s390x (3.3.10-1ubuntu4) ... 187s Setting up libgfortran5:s390x (14.2.0-8ubuntu1) ... 187s Setting up libubsan1:s390x (14.2.0-8ubuntu1) ... 187s Setting up ocl-icd-libopencl1:s390x (2.3.2-1build1) ... 187s Setting up libasan8:s390x (14.2.0-8ubuntu1) ... 187s Setting up openmpi-common (5.0.5-6) ... 187s Setting up librdmacm1t64:s390x (52.0-2ubuntu1) ... 187s Setting up libmuparser2v5:s390x (2.3.4-1) ... 187s Setting up libisl23:s390x (0.27-1) ... 187s Setting up libcc1-0:s390x (14.2.0-8ubuntu1) ... 187s Setting up libitm1:s390x (14.2.0-8ubuntu1) ... 187s Setting up libfabric1:s390x (1.17.0-3ubuntu1) ... 187s Setting up gromacs-data (2024.2-1) ... 187s Setting up liblapack3:s390x (3.12.0-3build2) ... 187s update-alternatives: using /usr/lib/s390x-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/s390x-linux-gnu/liblapack.so.3 (liblapack.so.3-s390x-linux-gnu) in auto mode 187s Setting up libfftw3-single3:s390x (3.3.10-1ubuntu4) ... 187s Setting up libfftw3-long3:s390x (3.3.10-1ubuntu4) ... 187s Setting up libhwloc-plugins:s390x (2.11.2-1) ... 187s Setting up libpmix2t64:s390x (5.0.3-2) ... 187s Setting up cpp-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 187s Setting up cpp-14 (14.2.0-8ubuntu1) ... 187s Setting up libopenmpi3t64:s390x (5.0.5-6) ... 187s Setting up libgcc-14-dev:s390x (14.2.0-8ubuntu1) ... 187s Setting up libstdc++-14-dev:s390x (14.2.0-8ubuntu1) ... 187s Setting up openmpi-bin (5.0.5-6) ... 187s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 187s update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist 187s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 187s Setting up cpp-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 187s Setting up libfftw3-bin (3.3.10-1ubuntu4) ... 187s Setting up libgromacs9:s390x (2024.2-1) ... 187s Setting up mpi-default-bin (1.17) ... 187s Setting up gromacs (2024.2-1) ... 187s Setting up gcc-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 187s Setting up gcc-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 187s Setting up g++-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 187s Setting up cpp (4:14.1.0-2ubuntu1) ... 187s Setting up libnblib-gmx0:s390x (2024.2-1) ... 187s Setting up libfftw3-dev:s390x (3.3.10-1ubuntu4) ... 187s Setting up libnblib-gmx-dev (2024.2-1) ... 187s Setting up g++-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 187s Setting up gcc-14 (14.2.0-8ubuntu1) ... 187s Setting up libgromacs-dev (2024.2-1) ... 187s Setting up g++-14 (14.2.0-8ubuntu1) ... 187s Setting up gcc (4:14.1.0-2ubuntu1) ... 187s Setting up g++ (4:14.1.0-2ubuntu1) ... 187s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 187s Setting up build-essential (12.10ubuntu1) ... 187s Setting up autopkgtest-satdep (0) ... 187s Processing triggers for man-db (2.13.0-1) ... 187s Processing triggers for libc-bin (2.40-1ubuntu3) ... 190s (Reading database ... 85790 files and directories currently installed.) 190s Removing autopkgtest-satdep (0) ... 191s autopkgtest [20:34:24]: test gromacs-regressiontests: [----------------------- 191s ======================================================== 191s Starting regression tests: basic build, single precision 191s ======================================================== 191s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 191s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 191s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 191s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 191s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 191s PASSED but check mdp file differences 191s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 191s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 191s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing argon . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/reference_s.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing butane . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 269s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 269s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 269s PASSED but check mdp file differences 269s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 269s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 269s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 269s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 269s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 269s PASSED but check mdp file differences 269s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 269s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 269s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 269s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 269s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 269s PASSED but check mdp file differences 269s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 269s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 269s gmx mdrun -notunepme >mdrun.out 2>&1 269s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 270s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 270s PASSED but check mdp file differences 270s Testing field . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 270s gmx mdrun -notunepme >mdrun.out 2>&1 270s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 270s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 270s PASSED but check mdp file differences 270s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 270s gmx mdrun -notunepme >mdrun.out 2>&1 270s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 270s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 270s PASSED but check mdp file differences 270s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 270s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 270s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 270s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 270s PASSED but check mdp file differences 270s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 270s gmx mdrun -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 271s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 271s PASSED but check mdp file differences 271s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 271s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 271s PASSED but check mdp file differences 271s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 271s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 271s PASSED but check mdp file differences 271s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -notunepme >mdrun.out 2>&1 272s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 303s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 303s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 303s PASSED but check mdp file differences 303s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 303s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 303s gmx mdrun -notunepme >mdrun.out 2>&1 304s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 304s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 304s PASSED but check mdp file differences 304s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s gmx mdrun -notunepme >mdrun.out 2>&1 305s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 305s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 305s PASSED but check mdp file differences 305s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 305s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 305s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 311s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 313s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s gmx mdrun -notunepme >mdrun.out 2>&1 313s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 313s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s gmx mdrun -notunepme >mdrun.out 2>&1 313s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing reb . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 313s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 313s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing sw . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 313s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 313s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 314s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 314s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 314s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 314s gmx mdrun -notunepme >mdrun.out 2>&1 315s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 315s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx mdrun -notunepme >mdrun.out 2>&1 315s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 316s PASSED but check mdp file differences 316s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 316s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 316s gmx mdrun -notunepme >mdrun.out 2>&1 316s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 316s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 316s PASSED but check mdp file differences 316s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 317s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 317s gmx mdrun -notunepme >mdrun.out 2>&1 317s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 317s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 317s PASSED but check mdp file differences 317s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 317s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 317s gmx mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 317s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/reference_s.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 317s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 317s PASSED but check mdp file differences 317s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 317s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 317s gmx mdrun -notunepme >mdrun.out 2>&1 318s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 318s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 318s PASSED but check mdp file differences 318s Testing urea . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 318s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 318s gmx mdrun -notunepme >mdrun.out 2>&1 318s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 318s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 318s PASSED but check mdp file differences 318s Testing walls . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 318s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 318s gmx mdrun -notunepme >mdrun.out 2>&1 318s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 318s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 318s PASSED but check mdp file differences 318s All 48 complex tests PASSED 318s Testing coulandvdwsequential_coul . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 318s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 318s gmx mdrun -notunepme >mdrun.out 2>&1 320s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 320s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing coulandvdwsequential_vdw . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 320s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 320s gmx mdrun -notunepme >mdrun.out 2>&1 321s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 321s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 321s PASSED but check mdp file differences 321s Testing coulandvdwtogether . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 321s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 321s gmx mdrun -notunepme >mdrun.out 2>&1 322s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 322s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 322s PASSED but check mdp file differences 322s Testing expanded . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 322s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 322s gmx mdrun -notunepme >mdrun.out 2>&1 324s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 324s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 324s PASSED but check mdp file differences 324s Testing relative . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 324s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 324s gmx mdrun -notunepme >mdrun.out 2>&1 327s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 327s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 327s PASSED but check mdp file differences 327s Testing relative-position-restraints . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 327s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 327s gmx mdrun -notunepme >mdrun.out 2>&1 329s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 329s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 329s PASSED but check mdp file differences 329s Testing restraints . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 329s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 329s gmx mdrun -notunepme >mdrun.out 2>&1 352s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 352s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 352s PASSED but check mdp file differences 352s Testing simtemp . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 352s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 352s gmx mdrun -notunepme >mdrun.out 2>&1 352s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 352s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 352s PASSED but check mdp file differences 352s Testing transformAtoB . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 352s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 352s gmx mdrun -notunepme >mdrun.out 2>&1 353s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 353s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 353s PASSED but check mdp file differences 353s Testing vdwalone . . . gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 353s gmx check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 353s gmx mdrun -notunepme >mdrun.out 2>&1 355s gmx check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 355s gmx check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 355s PASSED but check mdp file differences 355s All 10 freeenergy tests PASSED 355s All 0 extra tests PASSED 355s Testing linfix . . . 355s gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 355s echo 0 | gmx make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 355s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 355s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 355s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 355s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 355s Testing linacc . . . 355s gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 355s echo 0 | gmx make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 355s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 355s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 355s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 355s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 355s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 355s Testing radfix . . . 355s gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 355s echo 0 | gmx make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 355s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 355s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 355s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 355s Comparing column #4 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 355s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 355s Testing radacc . . . 355s gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 355s echo 0 | gmx make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 355s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 355s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 355s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 355s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 355s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 355s Testing radcon . . . 355s gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 355s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 355s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 355s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 355s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 355s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 355s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 355s Testing flooding1 . . . 355s gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 355s gmx mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 355s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 355s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 355s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 355s Comparing column #3 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 355s Comparing column #4 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 355s Comparing column #5 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 355s Comparing column #6 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 355s Comparing column #7 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 355s Testing flooding2 . . . 355s gmx grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 355s gmx mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 357s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 357s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 357s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 357s Comparing column #3 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 357s Comparing column #4 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 357s Comparing column #5 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 357s Comparing column #6 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 357s Comparing column #7 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 357s All 7 essential dynamics tests PASSED 357s ======================================================== 357s Starting regression tests: basic build, double precision 357s ======================================================== 357s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 357s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 357s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 357s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 357s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 357s PASSED but check mdp file differences 357s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 357s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 357s gmx_d mdrun -notunepme >mdrun.out 2>&1 358s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 358s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 358s PASSED but check mdp file differences 358s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 358s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 358s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 358s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 358s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 358s PASSED but check mdp file differences 358s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 358s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 358s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 358s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/reference_d.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 358s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 358s PASSED but check mdp file differences 358s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 358s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 358s gmx_d mdrun -notunepme >mdrun.out 2>&1 358s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 358s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 358s PASSED but check mdp file differences 358s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 358s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 358s gmx_d mdrun -notunepme >mdrun.out 2>&1 358s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 358s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 358s PASSED but check mdp file differences 358s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 358s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 358s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 358s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 358s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 358s PASSED but check mdp file differences 358s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 358s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 358s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 435s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 435s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 435s PASSED but check mdp file differences 435s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 435s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 435s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 435s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 435s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 435s PASSED but check mdp file differences 435s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 435s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 435s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 435s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 435s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 435s PASSED but check mdp file differences 435s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 435s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 435s gmx_d mdrun -notunepme >mdrun.out 2>&1 435s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 435s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 435s PASSED but check mdp file differences 435s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 436s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 436s gmx_d mdrun -notunepme >mdrun.out 2>&1 436s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 436s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 436s PASSED but check mdp file differences 436s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 436s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 436s gmx_d mdrun -notunepme >mdrun.out 2>&1 436s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 436s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 436s PASSED but check mdp file differences 436s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 436s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 436s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 436s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 436s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 436s PASSED but check mdp file differences 436s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 436s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 436s gmx_d mdrun -notunepme >mdrun.out 2>&1 436s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 436s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 436s PASSED but check mdp file differences 436s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 437s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 437s gmx_d mdrun -notunepme >mdrun.out 2>&1 437s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 437s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 437s PASSED but check mdp file differences 437s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 437s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 437s gmx_d mdrun -notunepme >mdrun.out 2>&1 437s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 437s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 437s PASSED but check mdp file differences 437s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 437s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 437s gmx_d mdrun -notunepme >mdrun.out 2>&1 438s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 438s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 438s PASSED but check mdp file differences 438s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 438s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 438s gmx_d mdrun -notunepme >mdrun.out 2>&1 438s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 438s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 438s PASSED but check mdp file differences 438s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 438s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 438s gmx_d mdrun -notunepme >mdrun.out 2>&1 438s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 438s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 439s PASSED but check mdp file differences 439s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s gmx_d mdrun -notunepme >mdrun.out 2>&1 439s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 439s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 439s PASSED but check mdp file differences 439s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s gmx_d mdrun -notunepme >mdrun.out 2>&1 439s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 439s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 439s PASSED but check mdp file differences 439s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s gmx_d mdrun -notunepme >mdrun.out 2>&1 439s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 439s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 439s PASSED but check mdp file differences 439s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s gmx_d mdrun -notunepme >mdrun.out 2>&1 439s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 439s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 439s PASSED but check mdp file differences 439s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s gmx_d mdrun -notunepme >mdrun.out 2>&1 440s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 440s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 440s PASSED but check mdp file differences 440s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 440s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 440s gmx_d mdrun -notunepme >mdrun.out 2>&1 440s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 440s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 440s PASSED but check mdp file differences 440s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 440s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 440s gmx_d mdrun -notunepme >mdrun.out 2>&1 440s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 440s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 440s PASSED but check mdp file differences 440s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 440s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 440s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 471s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 471s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 471s PASSED but check mdp file differences 471s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 472s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 472s gmx_d mdrun -notunepme >mdrun.out 2>&1 472s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 472s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 472s PASSED but check mdp file differences 472s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 472s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 472s gmx_d mdrun -notunepme >mdrun.out 2>&1 472s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 472s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 473s PASSED but check mdp file differences 473s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 473s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 473s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 477s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 477s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 477s PASSED but check mdp file differences 477s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 477s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 477s gmx_d mdrun -notunepme >mdrun.out 2>&1 478s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 478s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 478s PASSED but check mdp file differences 478s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 478s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 478s gmx_d mdrun -notunepme >mdrun.out 2>&1 478s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 478s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 478s PASSED but check mdp file differences 478s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 478s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 478s gmx_d mdrun -notunepme >mdrun.out 2>&1 478s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 478s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 478s PASSED but check mdp file differences 478s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 478s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 478s gmx_d mdrun -notunepme >mdrun.out 2>&1 478s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 478s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 478s PASSED but check mdp file differences 478s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 478s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 478s gmx_d mdrun -notunepme >mdrun.out 2>&1 478s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 478s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 478s PASSED but check mdp file differences 478s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 479s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 479s gmx_d mdrun -notunepme >mdrun.out 2>&1 479s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 479s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 479s PASSED but check mdp file differences 479s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 479s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 479s gmx_d mdrun -notunepme >mdrun.out 2>&1 479s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 479s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 479s PASSED but check mdp file differences 479s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 479s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 479s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 479s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 479s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 479s PASSED but check mdp file differences 479s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 479s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 479s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 480s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 480s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 480s PASSED but check mdp file differences 480s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 480s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 480s gmx_d mdrun -notunepme >mdrun.out 2>&1 481s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 481s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 481s PASSED but check mdp file differences 481s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 481s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 481s gmx_d mdrun -notunepme >mdrun.out 2>&1 481s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 481s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 481s PASSED but check mdp file differences 481s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 482s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 482s gmx_d mdrun -notunepme >mdrun.out 2>&1 482s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 482s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 482s PASSED but check mdp file differences 482s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 483s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 483s gmx_d mdrun -notunepme >mdrun.out 2>&1 483s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 483s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 483s PASSED but check mdp file differences 483s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 483s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 483s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 483s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/reference_d.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 483s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 483s PASSED but check mdp file differences 483s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 483s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 483s gmx_d mdrun -notunepme >mdrun.out 2>&1 484s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 484s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 484s PASSED but check mdp file differences 484s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 484s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 484s gmx_d mdrun -notunepme >mdrun.out 2>&1 484s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 484s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 484s PASSED but check mdp file differences 484s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 484s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 484s gmx_d mdrun -notunepme >mdrun.out 2>&1 484s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 484s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 484s PASSED but check mdp file differences 484s All 48 complex tests PASSED 484s Testing coulandvdwsequential_coul . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 484s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 484s gmx_d mdrun -notunepme >mdrun.out 2>&1 486s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 486s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 486s PASSED but check mdp file differences 486s Testing coulandvdwsequential_vdw . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 486s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 486s gmx_d mdrun -notunepme >mdrun.out 2>&1 487s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 487s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 487s PASSED but check mdp file differences 487s Testing coulandvdwtogether . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 487s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 487s gmx_d mdrun -notunepme >mdrun.out 2>&1 488s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 488s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 488s PASSED but check mdp file differences 488s Testing expanded . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 488s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 488s gmx_d mdrun -notunepme >mdrun.out 2>&1 491s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 491s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 491s PASSED but check mdp file differences 491s Testing relative . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 491s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 491s gmx_d mdrun -notunepme >mdrun.out 2>&1 491s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 491s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 491s PASSED but check mdp file differences 491s Testing relative-position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 491s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 491s gmx_d mdrun -notunepme >mdrun.out 2>&1 493s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 493s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 493s PASSED but check mdp file differences 493s Testing restraints . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 493s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 493s gmx_d mdrun -notunepme >mdrun.out 2>&1 511s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 511s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 511s PASSED but check mdp file differences 511s Testing simtemp . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 511s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 511s gmx_d mdrun -notunepme >mdrun.out 2>&1 512s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 512s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 512s PASSED but check mdp file differences 512s Testing transformAtoB . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 512s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 512s gmx_d mdrun -notunepme >mdrun.out 2>&1 513s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 513s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 513s PASSED but check mdp file differences 513s Testing vdwalone . . . gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 513s gmx_d check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 513s gmx_d mdrun -notunepme >mdrun.out 2>&1 514s gmx_d check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 514s gmx_d check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 514s PASSED but check mdp file differences 514s All 10 freeenergy tests PASSED 514s All 0 extra tests PASSED 514s Testing linfix . . . 514s gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 514s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 514s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 514s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 514s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 514s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 514s Testing linacc . . . 514s gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 514s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 514s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 514s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 514s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 514s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 514s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 514s Testing radfix . . . 514s gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 514s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 514s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 514s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 514s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 514s Comparing column #4 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 514s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 514s Testing radacc . . . 514s gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 514s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 514s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 514s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 514s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 514s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 514s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 514s Testing radcon . . . 514s gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 514s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 514s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 514s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 514s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 514s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 514s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 514s Testing flooding1 . . . 514s gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 514s gmx_d mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 514s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 514s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 514s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 514s Comparing column #3 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 514s Comparing column #4 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 514s Comparing column #5 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 514s Comparing column #6 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 514s Comparing column #7 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 514s Testing flooding2 . . . 514s gmx_d grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 515s gmx_d mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 516s Comparing column #0 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 516s Comparing column #1 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 516s Comparing column #2 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 516s Comparing column #3 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 516s Comparing column #4 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 516s Comparing column #5 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 516s Comparing column #6 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 516s Comparing column #7 of .xvg files /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 516s All 7 essential dynamics tests PASSED 516s ============================================================= 516s Starting regression tests: MPI build, single precision (only) 516s ============================================================= 516s Will test on 4 MPI ranks (if possible) 516s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 516s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 516s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 516s 516s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 516s FAILED. Check mdrun.out, md.log file(s) in acetonitrilRF for acetonitrilRF 516s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 516s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 516s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in aminoacids for aminoacids 517s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in argon for argon 517s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in awh_multibias for awh_multibias 517s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in awh_multidim for awh_multidim 517s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in butane for butane 517s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in cbt for cbt 517s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in dd121 for dd121 517s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in dec+water for dec+water 517s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 1 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 517s gmx_mpi check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 517s gmx_mpi check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 517s PASSED but check mdp file differences 517s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 517s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 517s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 517s 517s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 517s FAILED. Check mdrun.out, md.log file(s) in ethyleenglycol for ethyleenglycol 517s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in field for field 518s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nacl for nacl 518s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-energy-groups for nbnxn-energy-groups 518s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy for nbnxn-free-energy 518s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy-vv for nbnxn-free-energy-vv 518s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-geometric for nbnxn-ljpme-geometric 518s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB for nbnxn-ljpme-LB 518s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB-geometric for nbnxn-ljpme-LB-geometric 518s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-force-switch for nbnxn-vdw-force-switch 518s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch for nbnxn-vdw-potential-switch 518s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch-argon for nbnxn-vdw-potential-switch-argon 518s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme for nbnxn_pme 518s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order5 for nbnxn_pme_order5 518s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order6 for nbnxn_pme_order6 518s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 518s 518s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 518s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rf for nbnxn_rf 518s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 519s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 519s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 519s 519s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 519s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rzero for nbnxn_rzero 519s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 519s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 519s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 519s 519s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 519s FAILED. Check mdrun.out, md.log file(s) in nbnxn_vsite for nbnxn_vsite 519s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 519s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 519s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 519s 519s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 519s FAILED. Check mdrun.out, md.log file(s) in nst_mismatch for nst_mismatch 519s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 519s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 519s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 519s 519s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 519s FAILED. Check mdrun.out, md.log file(s) in octahedron for octahedron 519s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 519s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 519s mpirun -np 1 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 525s gmx_mpi check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 525s gmx_mpi check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 525s PASSED but check mdp file differences 525s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 525s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 525s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 525s 525s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 525s FAILED. Check mdrun.out, md.log file(s) in position-restraints for position-restraints 525s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 525s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 525s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 525s 525s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 525s FAILED. Check mdrun.out, md.log file(s) in pr-vrescale for pr-vrescale 525s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 526s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 526s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 526s 526s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 526s FAILED. Check mdrun.out, md.log file(s) in pull_constraint for pull_constraint 526s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 526s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 526s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 526s 526s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 526s FAILED. Check mdrun.out, md.log file(s) in pull_cylinder for pull_cylinder 526s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 526s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 526s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 526s 526s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 526s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle for pull_geometry_angle 526s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 526s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 526s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 526s 526s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 526s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle-axis for pull_geometry_angle-axis 526s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 526s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 526s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 526s 526s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 526s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_dihedral for pull_geometry_dihedral 526s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 526s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 526s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 526s 526s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 526s FAILED. Check mdrun.out, md.log file(s) in reb for reb 526s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 526s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 526s mpirun -np 1 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 529s gmx_mpi check -e /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 529s gmx_mpi check -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 529s PASSED but check mdp file differences 529s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 529s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 529s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 529s 529s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 529s FAILED. Check mdrun.out, md.log file(s) in swap_x for swap_x 529s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 529s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 529s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 529s 529s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 529s FAILED. Check mdrun.out, md.log file(s) in swap_y for swap_y 529s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 529s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 529s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 529s 529s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 529s FAILED. Check mdrun.out, md.log file(s) in swap_z for swap_z 529s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 529s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 529s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 529s 529s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 529s FAILED. Check mdrun.out, md.log file(s) in tip4p for tip4p 529s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 530s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 530s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 530s 530s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1' was -1 530s FAILED. Check mdrun.out, md.log file(s) in tip4p_continue for tip4p_continue 530s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 530s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 530s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 530s 530s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 530s FAILED. Check mdrun.out, md.log file(s) in tip4pflex for tip4pflex 530s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 530s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 530s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 530s 530s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 530s FAILED. Check mdrun.out, md.log file(s) in urea for urea 530s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 530s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 530s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 530s 530s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 530s FAILED. Check mdrun.out, md.log file(s) in walls for walls 530s 45 out of 48 complex tests FAILED 530s Testing coulandvdwsequential_coul . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 530s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 530s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1 530s 530s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 530s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_coul for coulandvdwsequential_coul 530s Testing coulandvdwsequential_vdw . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_vdw for coulandvdwsequential_vdw 531s Testing coulandvdwtogether . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in coulandvdwtogether for coulandvdwtogether 531s Testing expanded . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in expanded for expanded 531s Testing relative . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in relative for relative 531s Testing relative-position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in relative-position-restraints for relative-position-restraints 531s Testing restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in restraints for restraints 531s Testing simtemp . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in simtemp for simtemp 531s Testing transformAtoB . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in transformAtoB for transformAtoB 531s Testing vdwalone . . . gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 531s gmx_mpi check -s1 /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 531s FAILED. Check mdrun.out, md.log file(s) in vdwalone for vdwalone 531s 10 out of 10 freeenergy tests FAILED 531s All 0 extra tests PASSED 531s Testing linfix . . . 531s gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 531s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 531s 531s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1' was -1 531s Testing linacc . . . 531s gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 531s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 531s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 532s 532s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1' was -1 532s Testing radfix . . . 532s gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 532s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 532s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 532s 532s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1' was -1 532s Testing radacc . . . 532s gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 532s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 532s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 532s 532s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1' was -1 532s Testing radcon . . . 532s gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 532s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 532s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 532s 532s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1' was -1 532s Testing flooding1 . . . 532s gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 532s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 532s 532s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1' was -1 532s Testing flooding2 . . . 532s gmx_mpi grompp -f /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 532s mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 532s 532s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.tok9Wt/build.LUM/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1' was -1 532s Essential dynamics tests FAILED with 7 errors! 533s autopkgtest [20:40:06]: test gromacs-regressiontests: -----------------------] 533s gromacs-regressiontests FAIL non-zero exit status 1 533s autopkgtest [20:40:06]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 534s autopkgtest [20:40:07]: @@@@@@@@@@@@@@@@@@@@ summary 534s gromacs-regressiontests FAIL non-zero exit status 1 540s nova [W] Using flock in prodstack6-s390x 540s flock: timeout while waiting to get lock 540s Creating nova instance adt-plucky-s390x-gromacs-20241123-203113-juju-7f2275-prod-proposed-migration-environment-20-df0df0f4-4244-42dc-8e03-343ebb733e7c from image adt/ubuntu-plucky-s390x-server-20241119.img (UUID 0efe7a44-24e0-44d8-af6e-8997f14b87bd)...