0s autopkgtest [22:55:16]: starting date and time: 2025-02-15 22:55:16+0000 0s autopkgtest [22:55:16]: git checkout: 325255d2 Merge branch 'pin-any-arch' into 'ubuntu/production' 0s autopkgtest [22:55:16]: host juju-7f2275-prod-proposed-migration-environment-20; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.ui7dpwom/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:glibc,src:iproute2,src:php-twig,src:postgresql-17,src:postgresql-common,src:roundcube --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=glibc/2.41-1ubuntu1 iproute2/6.13.0-1ubuntu1 php-twig/3.19.0-1 postgresql-17/17.3-2 postgresql-common/273 roundcube/1.6.10+dfsg-1' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-s390x --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-20@bos03-s390x-4.secgroup --name adt-plucky-s390x-gromacs-20250215-225516-juju-7f2275-prod-proposed-migration-environment-20-352fa173-ec44-4a89-b948-46af0ae6ad99 --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,radosgw.ps5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 82s autopkgtest [22:56:38]: testbed dpkg architecture: s390x 82s autopkgtest [22:56:38]: testbed apt version: 2.9.28 82s autopkgtest [22:56:38]: @@@@@@@@@@@@@@@@@@@@ test bed setup 82s autopkgtest [22:56:38]: testbed release detected to be: None 83s autopkgtest [22:56:39]: updating testbed package index (apt update) 83s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [110 kB] 83s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 83s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 83s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 84s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [13.1 kB] 84s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [828 kB] 84s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [74.3 kB] 84s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [3120 B] 84s Get:9 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x Packages [163 kB] 84s Get:10 http://ftpmaster.internal/ubuntu plucky-proposed/restricted s390x Packages [760 B] 84s Get:11 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x Packages [876 kB] 84s Get:12 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse s390x Packages [3740 B] 84s Fetched 2073 kB in 1s (2194 kB/s) 85s Reading package lists... 85s Reading package lists... 85s Building dependency tree... 85s Reading state information... 85s Calculating upgrade... 85s The following packages were automatically installed and are no longer required: 85s libnsl2 libpython3.12-minimal libpython3.12-stdlib libpython3.12t64 85s linux-headers-6.11.0-8 linux-headers-6.11.0-8-generic 85s linux-modules-6.11.0-8-generic linux-tools-6.11.0-8 85s linux-tools-6.11.0-8-generic 85s Use 'sudo apt autoremove' to remove them. 86s The following packages will be upgraded: 86s dash gcc-14-base libatomic1 libgcc-s1 libstdc++6 libtasn1-6 libxdmcp6 86s 7 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 86s Need to get 1155 kB of archives. 86s After this operation, 16.4 kB of additional disk space will be used. 86s Get:1 http://ftpmaster.internal/ubuntu plucky/main s390x dash s390x 0.5.12-12ubuntu1 [100 kB] 86s Get:2 http://ftpmaster.internal/ubuntu plucky/main s390x libatomic1 s390x 14.2.0-17ubuntu1 [9430 B] 86s Get:3 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-14-base s390x 14.2.0-17ubuntu1 [53.5 kB] 86s Get:4 http://ftpmaster.internal/ubuntu plucky/main s390x libstdc++6 s390x 14.2.0-17ubuntu1 [896 kB] 86s Get:5 http://ftpmaster.internal/ubuntu plucky/main s390x libgcc-s1 s390x 14.2.0-17ubuntu1 [35.9 kB] 86s Get:6 http://ftpmaster.internal/ubuntu plucky/main s390x libtasn1-6 s390x 4.20.0-2 [48.6 kB] 86s Get:7 http://ftpmaster.internal/ubuntu plucky/main s390x libxdmcp6 s390x 1:1.1.5-1 [11.0 kB] 86s Preconfiguring packages ... 86s Fetched 1155 kB in 1s (1755 kB/s) 87s (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 ... 80969 files and directories currently installed.) 87s Preparing to unpack .../dash_0.5.12-12ubuntu1_s390x.deb ... 87s Unpacking dash (0.5.12-12ubuntu1) over (0.5.12-9ubuntu1) ... 87s Setting up dash (0.5.12-12ubuntu1) ... 87s (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 ... 80969 files and directories currently installed.) 87s Preparing to unpack .../libatomic1_14.2.0-17ubuntu1_s390x.deb ... 87s Unpacking libatomic1:s390x (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 87s Preparing to unpack .../gcc-14-base_14.2.0-17ubuntu1_s390x.deb ... 87s Unpacking gcc-14-base:s390x (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 87s Setting up gcc-14-base:s390x (14.2.0-17ubuntu1) ... 87s (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 ... 80969 files and directories currently installed.) 87s Preparing to unpack .../libstdc++6_14.2.0-17ubuntu1_s390x.deb ... 87s Unpacking libstdc++6:s390x (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 87s Setting up libstdc++6:s390x (14.2.0-17ubuntu1) ... 87s (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 ... 80969 files and directories currently installed.) 87s Preparing to unpack .../libgcc-s1_14.2.0-17ubuntu1_s390x.deb ... 87s Unpacking libgcc-s1:s390x (14.2.0-17ubuntu1) over (14.2.0-16ubuntu1) ... 87s Setting up libgcc-s1:s390x (14.2.0-17ubuntu1) ... 87s (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 ... 80969 files and directories currently installed.) 87s Preparing to unpack .../libtasn1-6_4.20.0-2_s390x.deb ... 87s Unpacking libtasn1-6:s390x (4.20.0-2) over (4.19.0-3build1) ... 87s Preparing to unpack .../libxdmcp6_1%3a1.1.5-1_s390x.deb ... 87s Unpacking libxdmcp6:s390x (1:1.1.5-1) over (1:1.1.3-0ubuntu6) ... 87s Setting up libxdmcp6:s390x (1:1.1.5-1) ... 87s Setting up libatomic1:s390x (14.2.0-17ubuntu1) ... 87s Setting up libtasn1-6:s390x (4.20.0-2) ... 87s Processing triggers for libc-bin (2.40-4ubuntu1) ... 87s Processing triggers for man-db (2.13.0-1) ... 87s Processing triggers for debianutils (5.21) ... 88s Reading package lists... 88s Building dependency tree... 88s Reading state information... 88s The following packages will be REMOVED: 88s libnsl2* libpython3.12-minimal* libpython3.12-stdlib* libpython3.12t64* 88s linux-headers-6.11.0-8* linux-headers-6.11.0-8-generic* 88s linux-modules-6.11.0-8-generic* linux-tools-6.11.0-8* 88s linux-tools-6.11.0-8-generic* 88s 0 upgraded, 0 newly installed, 9 to remove and 6 not upgraded. 88s After this operation, 167 MB disk space will be freed. 88s (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 ... 80969 files and directories currently installed.) 88s Removing linux-tools-6.11.0-8-generic (6.11.0-8.8) ... 88s Removing linux-tools-6.11.0-8 (6.11.0-8.8) ... 88s Removing libpython3.12t64:s390x (3.12.9-1) ... 88s Removing libpython3.12-stdlib:s390x (3.12.9-1) ... 88s Removing libnsl2:s390x (1.3.0-3build3) ... 88s Removing libpython3.12-minimal:s390x (3.12.9-1) ... 88s Removing linux-headers-6.11.0-8-generic (6.11.0-8.8) ... 88s Removing linux-headers-6.11.0-8 (6.11.0-8.8) ... 89s Removing linux-modules-6.11.0-8-generic (6.11.0-8.8) ... 89s Processing triggers for libc-bin (2.40-4ubuntu1) ... 89s (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 ... 55869 files and directories currently installed.) 89s Purging configuration files for libpython3.12-minimal:s390x (3.12.9-1) ... 89s Purging configuration files for linux-modules-6.11.0-8-generic (6.11.0-8.8) ... 90s autopkgtest [22:56:46]: upgrading testbed (apt dist-upgrade and autopurge) 90s Reading package lists... 90s Building dependency tree... 90s Reading state information... 90s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 90s Starting 2 pkgProblemResolver with broken count: 0 90s Done 90s Entering ResolveByKeep 90s 90s The following packages will be upgraded: 90s iproute2 libc-bin libc-dev-bin libc6 libc6-dev locales 91s 6 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 91s Need to get 10.7 MB of archives. 91s After this operation, 305 kB of additional disk space will be used. 91s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x libc-dev-bin s390x 2.41-1ubuntu1 [24.3 kB] 91s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x libc6-dev s390x 2.41-1ubuntu1 [1679 kB] 91s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x locales all 2.41-1ubuntu1 [4246 kB] 91s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x libc6 s390x 2.41-1ubuntu1 [2891 kB] 91s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x libc-bin s390x 2.41-1ubuntu1 [672 kB] 91s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x iproute2 s390x 6.13.0-1ubuntu1 [1174 kB] 92s Preconfiguring packages ... 92s Fetched 10.7 MB in 1s (10.6 MB/s) 92s (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 ... 55867 files and directories currently installed.) 92s Preparing to unpack .../libc-dev-bin_2.41-1ubuntu1_s390x.deb ... 92s Unpacking libc-dev-bin (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 92s Preparing to unpack .../libc6-dev_2.41-1ubuntu1_s390x.deb ... 92s Unpacking libc6-dev:s390x (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 92s Preparing to unpack .../locales_2.41-1ubuntu1_all.deb ... 92s Unpacking locales (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 92s Preparing to unpack .../libc6_2.41-1ubuntu1_s390x.deb ... 92s Checking for services that may need to be restarted... 92s Checking init scripts... 92s Checking for services that may need to be restarted... 92s Checking init scripts... 92s Stopping some services possibly affected by the upgrade (will be restarted later): 92s cron: stopping...done. 92s 92s Unpacking libc6:s390x (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 92s Setting up libc6:s390x (2.41-1ubuntu1) ... 92s Checking for services that may need to be restarted... 92s Checking init scripts... 92s Restarting services possibly affected by the upgrade: 92s cron: restarting...done. 92s 92s Services restarted successfully. 92s (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 ... 55868 files and directories currently installed.) 92s Preparing to unpack .../libc-bin_2.41-1ubuntu1_s390x.deb ... 92s Unpacking libc-bin (2.41-1ubuntu1) over (2.40-4ubuntu1) ... 92s Setting up libc-bin (2.41-1ubuntu1) ... 93s (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 ... 55868 files and directories currently installed.) 93s Preparing to unpack .../iproute2_6.13.0-1ubuntu1_s390x.deb ... 93s Unpacking iproute2 (6.13.0-1ubuntu1) over (6.10.0-2ubuntu1) ... 93s Setting up iproute2 (6.13.0-1ubuntu1) ... 93s Setting up locales (2.41-1ubuntu1) ... 93s Installing new version of config file /etc/locale.alias ... 93s Generating locales (this might take a while)... 94s en_US.UTF-8... done 94s Generation complete. 94s Setting up libc-dev-bin (2.41-1ubuntu1) ... 94s Setting up libc6-dev:s390x (2.41-1ubuntu1) ... 94s Processing triggers for man-db (2.13.0-1) ... 95s Processing triggers for systemd (257.2-3ubuntu1) ... 96s Reading package lists... 96s Building dependency tree... 96s Reading state information... 96s Starting pkgProblemResolver with broken count: 0 96s Starting 2 pkgProblemResolver with broken count: 0 96s Done 96s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 96s autopkgtest [22:56:52]: rebooting testbed after setup commands that affected boot 115s autopkgtest [22:57:11]: testbed running kernel: Linux 6.12.0-15-generic #15-Ubuntu SMP Tue Feb 4 15:05:57 UTC 2025 117s autopkgtest [22:57:13]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 123s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (dsc) [3275 B] 123s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (tar) [32.7 MB] 123s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (tar) [44.4 MB] 123s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2025.0-1 (diff) [37.0 kB] 123s gpgv: Signature made Thu Feb 13 03:57:40 2025 UTC 123s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 123s gpgv: issuer "nbreen@debian.org" 123s gpgv: Can't check signature: No public key 123s dpkg-source: warning: cannot verify inline signature for ./gromacs_2025.0-1.dsc: no acceptable signature found 125s autopkgtest [22:57:21]: testing package gromacs version 2025.0-1 126s autopkgtest [22:57:22]: build not needed 138s autopkgtest [22:57:34]: test gromacs-regressiontests: preparing testbed 138s Reading package lists... 138s Building dependency tree... 138s Reading state information... 139s Starting pkgProblemResolver with broken count: 0 139s Starting 2 pkgProblemResolver with broken count: 0 139s Done 139s The following NEW packages will be installed: 139s build-essential cpp cpp-14 cpp-14-s390x-linux-gnu cpp-s390x-linux-gnu 139s fonts-mathjax g++ g++-14 g++-14-s390x-linux-gnu g++-s390x-linux-gnu gcc 139s gcc-14 gcc-14-s390x-linux-gnu gcc-s390x-linux-gnu gromacs gromacs-data 139s libasan8 libblas3 libcc1-0 libevent-pthreads-2.1-7t64 libfabric1 139s libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 libfftw3-single3 139s libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev libgromacs10 139s libhwloc-plugins libhwloc15 libisl23 libitm1 libjs-mathjax liblapack3 139s libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi40 139s libpciaccess0 libpmix2t64 librdmacm1t64 libstdc++-14-dev libubsan1 139s libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin openmpi-common 139s 0 upgraded, 53 newly installed, 0 to remove and 0 not upgraded. 139s Need to get 141 MB of archives. 139s After this operation, 658 MB of additional disk space will be used. 139s Get:1 http://ftpmaster.internal/ubuntu plucky/main s390x libisl23 s390x 0.27-1 [704 kB] 139s Get:2 http://ftpmaster.internal/ubuntu plucky/main s390x libmpc3 s390x 1.3.1-1build2 [57.8 kB] 139s Get:3 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-14-s390x-linux-gnu s390x 14.2.0-17ubuntu1 [9571 kB] 140s Get:4 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-14 s390x 14.2.0-17ubuntu1 [1030 B] 140s Get:5 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-s390x-linux-gnu s390x 4:14.2.0-1ubuntu1 [5556 B] 140s Get:6 http://ftpmaster.internal/ubuntu plucky/main s390x cpp s390x 4:14.2.0-1ubuntu1 [22.4 kB] 140s Get:7 http://ftpmaster.internal/ubuntu plucky/main s390x libcc1-0 s390x 14.2.0-17ubuntu1 [50.7 kB] 140s Get:8 http://ftpmaster.internal/ubuntu plucky/main s390x libgomp1 s390x 14.2.0-17ubuntu1 [151 kB] 140s Get:9 http://ftpmaster.internal/ubuntu plucky/main s390x libitm1 s390x 14.2.0-17ubuntu1 [30.9 kB] 140s Get:10 http://ftpmaster.internal/ubuntu plucky/main s390x libasan8 s390x 14.2.0-17ubuntu1 [2964 kB] 140s Get:11 http://ftpmaster.internal/ubuntu plucky/main s390x libubsan1 s390x 14.2.0-17ubuntu1 [1184 kB] 140s Get:12 http://ftpmaster.internal/ubuntu plucky/main s390x libgcc-14-dev s390x 14.2.0-17ubuntu1 [1037 kB] 140s Get:13 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-14-s390x-linux-gnu s390x 14.2.0-17ubuntu1 [18.7 MB] 140s Get:14 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-14 s390x 14.2.0-17ubuntu1 [526 kB] 140s Get:15 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-s390x-linux-gnu s390x 4:14.2.0-1ubuntu1 [1204 B] 140s Get:16 http://ftpmaster.internal/ubuntu plucky/main s390x gcc s390x 4:14.2.0-1ubuntu1 [5004 B] 140s Get:17 http://ftpmaster.internal/ubuntu plucky/main s390x libstdc++-14-dev s390x 14.2.0-17ubuntu1 [2611 kB] 140s Get:18 http://ftpmaster.internal/ubuntu plucky/main s390x g++-14-s390x-linux-gnu s390x 14.2.0-17ubuntu1 [11.0 MB] 141s Get:19 http://ftpmaster.internal/ubuntu plucky/main s390x g++-14 s390x 14.2.0-17ubuntu1 [21.8 kB] 141s Get:20 http://ftpmaster.internal/ubuntu plucky/main s390x g++-s390x-linux-gnu s390x 4:14.2.0-1ubuntu1 [956 B] 141s Get:21 http://ftpmaster.internal/ubuntu plucky/main s390x g++ s390x 4:14.2.0-1ubuntu1 [1080 B] 141s Get:22 http://ftpmaster.internal/ubuntu plucky/main s390x build-essential s390x 12.10ubuntu1 [4930 B] 141s Get:23 http://ftpmaster.internal/ubuntu plucky/main s390x fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 141s Get:24 http://ftpmaster.internal/ubuntu plucky/main s390x libblas3 s390x 3.12.1-2 [252 kB] 141s Get:25 http://ftpmaster.internal/ubuntu plucky/main s390x libevent-pthreads-2.1-7t64 s390x 2.1.12-stable-10 [7870 B] 141s Get:26 http://ftpmaster.internal/ubuntu plucky/main s390x librdmacm1t64 s390x 55.0-1ubuntu1 [73.7 kB] 141s Get:27 http://ftpmaster.internal/ubuntu plucky/universe s390x libfabric1 s390x 1.17.0-3ubuntu1 [558 kB] 141s Get:28 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-double3 s390x 3.3.10-2fakesync1build1 [511 kB] 141s Get:29 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-long3 s390x 3.3.10-2fakesync1build1 [533 kB] 141s Get:30 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-single3 s390x 3.3.10-2fakesync1build1 [483 kB] 141s Get:31 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-bin s390x 3.3.10-2fakesync1build1 [36.5 kB] 141s Get:32 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-dev s390x 3.3.10-2fakesync1build1 [1329 kB] 141s Get:33 http://ftpmaster.internal/ubuntu plucky/main s390x libgfortran5 s390x 14.2.0-17ubuntu1 [588 kB] 141s Get:34 http://ftpmaster.internal/ubuntu plucky/universe s390x libhwloc15 s390x 2.11.2-1build1 [176 kB] 141s Get:35 http://ftpmaster.internal/ubuntu plucky/main s390x liblapack3 s390x 3.12.1-2 [2971 kB] 141s Get:36 http://ftpmaster.internal/ubuntu plucky/universe s390x libmuparser2v5 s390x 2.3.4-1 [138 kB] 141s Get:37 http://ftpmaster.internal/ubuntu plucky/universe s390x libmunge2 s390x 0.5.16-1 [15.2 kB] 141s Get:38 http://ftpmaster.internal/ubuntu plucky/main s390x libpciaccess0 s390x 0.17-3build1 [19.0 kB] 141s Get:39 http://ftpmaster.internal/ubuntu plucky/main s390x libxnvctrl0 s390x 510.47.03-0ubuntu4 [12.7 kB] 141s Get:40 http://ftpmaster.internal/ubuntu plucky/universe s390x ocl-icd-libopencl1 s390x 2.3.2-1build1 [41.1 kB] 141s Get:41 http://ftpmaster.internal/ubuntu plucky/universe s390x libhwloc-plugins s390x 2.11.2-1build1 [16.1 kB] 141s Get:42 http://ftpmaster.internal/ubuntu plucky/universe s390x libpmix2t64 s390x 5.0.6-3 [715 kB] 141s Get:43 http://ftpmaster.internal/ubuntu plucky/universe s390x libopenmpi40 s390x 5.0.6-4 [2194 kB] 141s Get:44 http://ftpmaster.internal/ubuntu plucky/universe s390x libgromacs10 s390x 2025.0-1 [29.2 MB] 142s Get:45 http://ftpmaster.internal/ubuntu plucky/universe s390x libnblib-gmx0 s390x 2025.0-1 [257 kB] 142s Get:46 http://ftpmaster.internal/ubuntu plucky/universe s390x libnblib-gmx-dev s390x 2025.0-1 [26.2 kB] 142s Get:47 http://ftpmaster.internal/ubuntu plucky/universe s390x openmpi-common all 5.0.6-4 [97.7 kB] 142s Get:48 http://ftpmaster.internal/ubuntu plucky/universe s390x openmpi-bin s390x 5.0.6-4 [200 kB] 142s Get:49 http://ftpmaster.internal/ubuntu plucky/main s390x libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 142s Get:50 http://ftpmaster.internal/ubuntu plucky/universe s390x gromacs-data all 2025.0-1 [43.8 MB] 143s Get:51 http://ftpmaster.internal/ubuntu plucky/universe s390x gromacs s390x 2025.0-1 [56.8 kB] 143s Get:52 http://ftpmaster.internal/ubuntu plucky/universe s390x libgromacs-dev s390x 2025.0-1 [170 kB] 143s Get:53 http://ftpmaster.internal/ubuntu plucky/universe s390x mpi-default-bin s390x 1.18 [2510 B] 143s Fetched 141 MB in 4s (34.2 MB/s) 143s Selecting previously unselected package libisl23:s390x. 143s (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 ... 55869 files and directories currently installed.) 143s Preparing to unpack .../00-libisl23_0.27-1_s390x.deb ... 143s Unpacking libisl23:s390x (0.27-1) ... 143s Selecting previously unselected package libmpc3:s390x. 143s Preparing to unpack .../01-libmpc3_1.3.1-1build2_s390x.deb ... 143s Unpacking libmpc3:s390x (1.3.1-1build2) ... 143s Selecting previously unselected package cpp-14-s390x-linux-gnu. 143s Preparing to unpack .../02-cpp-14-s390x-linux-gnu_14.2.0-17ubuntu1_s390x.deb ... 143s Unpacking cpp-14-s390x-linux-gnu (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package cpp-14. 144s Preparing to unpack .../03-cpp-14_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking cpp-14 (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package cpp-s390x-linux-gnu. 144s Preparing to unpack .../04-cpp-s390x-linux-gnu_4%3a14.2.0-1ubuntu1_s390x.deb ... 144s Unpacking cpp-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 144s Selecting previously unselected package cpp. 144s Preparing to unpack .../05-cpp_4%3a14.2.0-1ubuntu1_s390x.deb ... 144s Unpacking cpp (4:14.2.0-1ubuntu1) ... 144s Selecting previously unselected package libcc1-0:s390x. 144s Preparing to unpack .../06-libcc1-0_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking libcc1-0:s390x (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package libgomp1:s390x. 144s Preparing to unpack .../07-libgomp1_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking libgomp1:s390x (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package libitm1:s390x. 144s Preparing to unpack .../08-libitm1_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking libitm1:s390x (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package libasan8:s390x. 144s Preparing to unpack .../09-libasan8_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking libasan8:s390x (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package libubsan1:s390x. 144s Preparing to unpack .../10-libubsan1_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking libubsan1:s390x (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package libgcc-14-dev:s390x. 144s Preparing to unpack .../11-libgcc-14-dev_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking libgcc-14-dev:s390x (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package gcc-14-s390x-linux-gnu. 144s Preparing to unpack .../12-gcc-14-s390x-linux-gnu_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking gcc-14-s390x-linux-gnu (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package gcc-14. 144s Preparing to unpack .../13-gcc-14_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking gcc-14 (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package gcc-s390x-linux-gnu. 144s Preparing to unpack .../14-gcc-s390x-linux-gnu_4%3a14.2.0-1ubuntu1_s390x.deb ... 144s Unpacking gcc-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 144s Selecting previously unselected package gcc. 144s Preparing to unpack .../15-gcc_4%3a14.2.0-1ubuntu1_s390x.deb ... 144s Unpacking gcc (4:14.2.0-1ubuntu1) ... 144s Selecting previously unselected package libstdc++-14-dev:s390x. 144s Preparing to unpack .../16-libstdc++-14-dev_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking libstdc++-14-dev:s390x (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package g++-14-s390x-linux-gnu. 144s Preparing to unpack .../17-g++-14-s390x-linux-gnu_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking g++-14-s390x-linux-gnu (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package g++-14. 144s Preparing to unpack .../18-g++-14_14.2.0-17ubuntu1_s390x.deb ... 144s Unpacking g++-14 (14.2.0-17ubuntu1) ... 144s Selecting previously unselected package g++-s390x-linux-gnu. 144s Preparing to unpack .../19-g++-s390x-linux-gnu_4%3a14.2.0-1ubuntu1_s390x.deb ... 144s Unpacking g++-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 144s Selecting previously unselected package g++. 144s Preparing to unpack .../20-g++_4%3a14.2.0-1ubuntu1_s390x.deb ... 144s Unpacking g++ (4:14.2.0-1ubuntu1) ... 144s Selecting previously unselected package build-essential. 144s Preparing to unpack .../21-build-essential_12.10ubuntu1_s390x.deb ... 144s Unpacking build-essential (12.10ubuntu1) ... 144s Selecting previously unselected package fonts-mathjax. 144s Preparing to unpack .../22-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 144s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 145s Selecting previously unselected package libblas3:s390x. 145s Preparing to unpack .../23-libblas3_3.12.1-2_s390x.deb ... 145s Unpacking libblas3:s390x (3.12.1-2) ... 145s Selecting previously unselected package libevent-pthreads-2.1-7t64:s390x. 145s Preparing to unpack .../24-libevent-pthreads-2.1-7t64_2.1.12-stable-10_s390x.deb ... 145s Unpacking libevent-pthreads-2.1-7t64:s390x (2.1.12-stable-10) ... 145s Selecting previously unselected package librdmacm1t64:s390x. 145s Preparing to unpack .../25-librdmacm1t64_55.0-1ubuntu1_s390x.deb ... 145s Unpacking librdmacm1t64:s390x (55.0-1ubuntu1) ... 145s Selecting previously unselected package libfabric1:s390x. 145s Preparing to unpack .../26-libfabric1_1.17.0-3ubuntu1_s390x.deb ... 145s Unpacking libfabric1:s390x (1.17.0-3ubuntu1) ... 145s Selecting previously unselected package libfftw3-double3:s390x. 145s Preparing to unpack .../27-libfftw3-double3_3.3.10-2fakesync1build1_s390x.deb ... 145s Unpacking libfftw3-double3:s390x (3.3.10-2fakesync1build1) ... 145s Selecting previously unselected package libfftw3-long3:s390x. 145s Preparing to unpack .../28-libfftw3-long3_3.3.10-2fakesync1build1_s390x.deb ... 145s Unpacking libfftw3-long3:s390x (3.3.10-2fakesync1build1) ... 145s Selecting previously unselected package libfftw3-single3:s390x. 145s Preparing to unpack .../29-libfftw3-single3_3.3.10-2fakesync1build1_s390x.deb ... 145s Unpacking libfftw3-single3:s390x (3.3.10-2fakesync1build1) ... 145s Selecting previously unselected package libfftw3-bin. 145s Preparing to unpack .../30-libfftw3-bin_3.3.10-2fakesync1build1_s390x.deb ... 145s Unpacking libfftw3-bin (3.3.10-2fakesync1build1) ... 145s Selecting previously unselected package libfftw3-dev:s390x. 145s Preparing to unpack .../31-libfftw3-dev_3.3.10-2fakesync1build1_s390x.deb ... 145s Unpacking libfftw3-dev:s390x (3.3.10-2fakesync1build1) ... 145s Selecting previously unselected package libgfortran5:s390x. 145s Preparing to unpack .../32-libgfortran5_14.2.0-17ubuntu1_s390x.deb ... 145s Unpacking libgfortran5:s390x (14.2.0-17ubuntu1) ... 145s Selecting previously unselected package libhwloc15:s390x. 145s Preparing to unpack .../33-libhwloc15_2.11.2-1build1_s390x.deb ... 145s Unpacking libhwloc15:s390x (2.11.2-1build1) ... 145s Selecting previously unselected package liblapack3:s390x. 145s Preparing to unpack .../34-liblapack3_3.12.1-2_s390x.deb ... 145s Unpacking liblapack3:s390x (3.12.1-2) ... 145s Selecting previously unselected package libmuparser2v5:s390x. 145s Preparing to unpack .../35-libmuparser2v5_2.3.4-1_s390x.deb ... 145s Unpacking libmuparser2v5:s390x (2.3.4-1) ... 145s Selecting previously unselected package libmunge2:s390x. 145s Preparing to unpack .../36-libmunge2_0.5.16-1_s390x.deb ... 145s Unpacking libmunge2:s390x (0.5.16-1) ... 145s Selecting previously unselected package libpciaccess0:s390x. 145s Preparing to unpack .../37-libpciaccess0_0.17-3build1_s390x.deb ... 145s Unpacking libpciaccess0:s390x (0.17-3build1) ... 145s Selecting previously unselected package libxnvctrl0:s390x. 145s Preparing to unpack .../38-libxnvctrl0_510.47.03-0ubuntu4_s390x.deb ... 145s Unpacking libxnvctrl0:s390x (510.47.03-0ubuntu4) ... 145s Selecting previously unselected package ocl-icd-libopencl1:s390x. 145s Preparing to unpack .../39-ocl-icd-libopencl1_2.3.2-1build1_s390x.deb ... 145s Unpacking ocl-icd-libopencl1:s390x (2.3.2-1build1) ... 145s Selecting previously unselected package libhwloc-plugins:s390x. 145s Preparing to unpack .../40-libhwloc-plugins_2.11.2-1build1_s390x.deb ... 145s Unpacking libhwloc-plugins:s390x (2.11.2-1build1) ... 145s Selecting previously unselected package libpmix2t64:s390x. 145s Preparing to unpack .../41-libpmix2t64_5.0.6-3_s390x.deb ... 145s Unpacking libpmix2t64:s390x (5.0.6-3) ... 145s Selecting previously unselected package libopenmpi40:s390x. 145s Preparing to unpack .../42-libopenmpi40_5.0.6-4_s390x.deb ... 145s Unpacking libopenmpi40:s390x (5.0.6-4) ... 145s Selecting previously unselected package libgromacs10:s390x. 145s Preparing to unpack .../43-libgromacs10_2025.0-1_s390x.deb ... 145s Unpacking libgromacs10:s390x (2025.0-1) ... 145s Selecting previously unselected package libnblib-gmx0:s390x. 146s Preparing to unpack .../44-libnblib-gmx0_2025.0-1_s390x.deb ... 146s Unpacking libnblib-gmx0:s390x (2025.0-1) ... 146s Selecting previously unselected package libnblib-gmx-dev. 146s Preparing to unpack .../45-libnblib-gmx-dev_2025.0-1_s390x.deb ... 146s Unpacking libnblib-gmx-dev (2025.0-1) ... 146s Selecting previously unselected package openmpi-common. 146s Preparing to unpack .../46-openmpi-common_5.0.6-4_all.deb ... 146s Unpacking openmpi-common (5.0.6-4) ... 146s Selecting previously unselected package openmpi-bin. 146s Preparing to unpack .../47-openmpi-bin_5.0.6-4_s390x.deb ... 146s Unpacking openmpi-bin (5.0.6-4) ... 146s Selecting previously unselected package libjs-mathjax. 146s Preparing to unpack .../48-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 146s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 146s Selecting previously unselected package gromacs-data. 146s Preparing to unpack .../49-gromacs-data_2025.0-1_all.deb ... 146s Unpacking gromacs-data (2025.0-1) ... 148s Selecting previously unselected package gromacs. 148s Preparing to unpack .../50-gromacs_2025.0-1_s390x.deb ... 148s Unpacking gromacs (2025.0-1) ... 148s Selecting previously unselected package libgromacs-dev. 148s Preparing to unpack .../51-libgromacs-dev_2025.0-1_s390x.deb ... 148s Unpacking libgromacs-dev (2025.0-1) ... 148s Selecting previously unselected package mpi-default-bin. 148s Preparing to unpack .../52-mpi-default-bin_1.18_s390x.deb ... 148s Unpacking mpi-default-bin (1.18) ... 148s Setting up libpciaccess0:s390x (0.17-3build1) ... 148s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 148s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 148s Setting up libevent-pthreads-2.1-7t64:s390x (2.1.12-stable-10) ... 148s Setting up libgomp1:s390x (14.2.0-17ubuntu1) ... 148s Setting up libxnvctrl0:s390x (510.47.03-0ubuntu4) ... 148s Setting up libblas3:s390x (3.12.1-2) ... 148s 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 148s Setting up libmunge2:s390x (0.5.16-1) ... 148s Setting up libhwloc15:s390x (2.11.2-1build1) ... 148s Setting up libmpc3:s390x (1.3.1-1build2) ... 148s Setting up libfftw3-double3:s390x (3.3.10-2fakesync1build1) ... 148s Setting up libgfortran5:s390x (14.2.0-17ubuntu1) ... 148s Setting up libubsan1:s390x (14.2.0-17ubuntu1) ... 148s Setting up ocl-icd-libopencl1:s390x (2.3.2-1build1) ... 148s Setting up libasan8:s390x (14.2.0-17ubuntu1) ... 148s Setting up openmpi-common (5.0.6-4) ... 148s Setting up librdmacm1t64:s390x (55.0-1ubuntu1) ... 148s Setting up libmuparser2v5:s390x (2.3.4-1) ... 148s Setting up libisl23:s390x (0.27-1) ... 148s Setting up libcc1-0:s390x (14.2.0-17ubuntu1) ... 148s Setting up libitm1:s390x (14.2.0-17ubuntu1) ... 148s Setting up libfabric1:s390x (1.17.0-3ubuntu1) ... 148s Setting up gromacs-data (2025.0-1) ... 148s Setting up liblapack3:s390x (3.12.1-2) ... 148s 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 148s Setting up libfftw3-single3:s390x (3.3.10-2fakesync1build1) ... 148s Setting up libfftw3-long3:s390x (3.3.10-2fakesync1build1) ... 148s Setting up libhwloc-plugins:s390x (2.11.2-1build1) ... 148s Setting up libpmix2t64:s390x (5.0.6-3) ... 148s Setting up cpp-14-s390x-linux-gnu (14.2.0-17ubuntu1) ... 148s Setting up cpp-14 (14.2.0-17ubuntu1) ... 148s Setting up libgcc-14-dev:s390x (14.2.0-17ubuntu1) ... 148s Setting up libstdc++-14-dev:s390x (14.2.0-17ubuntu1) ... 148s Setting up libopenmpi40:s390x (5.0.6-4) ... 148s Setting up cpp-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 148s Setting up libfftw3-bin (3.3.10-2fakesync1build1) ... 148s Setting up gcc-14-s390x-linux-gnu (14.2.0-17ubuntu1) ... 148s Setting up gcc-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 148s Setting up g++-14-s390x-linux-gnu (14.2.0-17ubuntu1) ... 148s Setting up cpp (4:14.2.0-1ubuntu1) ... 148s Setting up libgromacs10:s390x (2025.0-1) ... 148s Setting up libnblib-gmx0:s390x (2025.0-1) ... 148s Setting up libfftw3-dev:s390x (3.3.10-2fakesync1build1) ... 148s Setting up openmpi-bin (5.0.6-4) ... 148s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 148s 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 148s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 148s Setting up libnblib-gmx-dev (2025.0-1) ... 148s Setting up mpi-default-bin (1.18) ... 148s Setting up g++-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 148s Setting up gromacs (2025.0-1) ... 148s Setting up gcc-14 (14.2.0-17ubuntu1) ... 148s Setting up libgromacs-dev (2025.0-1) ... 148s Setting up g++-14 (14.2.0-17ubuntu1) ... 148s Setting up gcc (4:14.2.0-1ubuntu1) ... 148s Setting up g++ (4:14.2.0-1ubuntu1) ... 148s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 148s Setting up build-essential (12.10ubuntu1) ... 148s Processing triggers for man-db (2.13.0-1) ... 149s Processing triggers for libc-bin (2.41-1ubuntu1) ... 151s autopkgtest [22:57:47]: test gromacs-regressiontests: [----------------------- 151s ======================================================== 151s Starting regression tests: basic build, single precision 151s ======================================================== 151s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 151s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 151s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 151s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 151s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 151s PASSED but check mdp file differences 151s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 151s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 151s gmx mdrun -notunepme >mdrun.out 2>&1 152s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 152s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 152s PASSED but check mdp file differences 152s Testing argon . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 152s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 152s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 152s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 152s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 152s PASSED but check mdp file differences 152s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 152s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 152s gmx mdrun -notunepme -cpi /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 152s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 152s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 152s PASSED but check mdp file differences 152s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 152s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 152s gmx mdrun -notunepme >mdrun.out 2>&1 152s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 152s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 152s PASSED but check mdp file differences 152s Testing butane . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 152s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 152s gmx mdrun -notunepme >mdrun.out 2>&1 152s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 152s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 152s PASSED but check mdp file differences 152s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 152s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 152s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 152s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 152s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 152s PASSED but check mdp file differences 152s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 152s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 152s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 229s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 229s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 229s PASSED but check mdp file differences 229s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 229s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 229s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 229s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 229s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 229s PASSED but check mdp file differences 229s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 229s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 229s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 230s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 230s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 230s PASSED but check mdp file differences 230s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 230s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 230s gmx mdrun -notunepme >mdrun.out 2>&1 230s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 230s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 230s PASSED but check mdp file differences 230s Testing field . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 230s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 230s gmx mdrun -notunepme >mdrun.out 2>&1 230s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 230s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 230s PASSED but check mdp file differences 230s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 231s gmx mdrun -notunepme >mdrun.out 2>&1 231s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 231s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 231s PASSED but check mdp file differences 231s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 231s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 231s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 231s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 231s PASSED but check mdp file differences 231s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 231s gmx mdrun -notunepme >mdrun.out 2>&1 231s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 231s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 231s PASSED but check mdp file differences 231s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 231s gmx mdrun -notunepme >mdrun.out 2>&1 231s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 231s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 231s PASSED but check mdp file differences 231s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 231s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 231s gmx mdrun -notunepme >mdrun.out 2>&1 232s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 232s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 232s PASSED but check mdp file differences 232s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 232s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 233s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 233s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 234s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 234s PASSED but check mdp file differences 234s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 234s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 234s gmx mdrun -notunepme >mdrun.out 2>&1 234s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 234s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 234s PASSED but check mdp file differences 234s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 234s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/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 234s gmx mdrun -notunepme >mdrun.out 2>&1 234s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 234s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/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 234s PASSED but check mdp file differences 234s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 234s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 234s gmx mdrun -notunepme >mdrun.out 2>&1 234s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 234s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 234s PASSED but check mdp file differences 234s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 234s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 234s gmx mdrun -notunepme >mdrun.out 2>&1 234s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 234s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 234s PASSED but check mdp file differences 234s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 234s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 234s gmx mdrun -notunepme >mdrun.out 2>&1 235s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 235s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 235s PASSED but check mdp file differences 235s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 235s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 235s gmx mdrun -notunepme >mdrun.out 2>&1 235s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 235s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 235s PASSED but check mdp file differences 235s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 235s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 235s gmx mdrun -notunepme >mdrun.out 2>&1 235s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 235s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 235s PASSED but check mdp file differences 235s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 235s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 235s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 267s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 267s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 267s PASSED but check mdp file differences 267s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 267s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 267s gmx mdrun -notunepme >mdrun.out 2>&1 267s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 267s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 267s PASSED but check mdp file differences 267s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 267s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 267s gmx mdrun -notunepme >mdrun.out 2>&1 268s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 268s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 268s PASSED but check mdp file differences 268s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 268s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 268s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/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.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/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 position-restraints . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/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.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/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.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/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 pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/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.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/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.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/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 pull_constraint . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -notunepme >mdrun.out 2>&1 275s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -notunepme >mdrun.out 2>&1 275s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -notunepme >mdrun.out 2>&1 275s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 275s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -notunepme >mdrun.out 2>&1 275s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 275s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -notunepme >mdrun.out 2>&1 275s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 275s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing reb . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 275s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing sw . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 276s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 276s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 276s PASSED but check mdp file differences 276s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 277s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 277s gmx mdrun -notunepme >mdrun.out 2>&1 277s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 277s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 277s PASSED but check mdp file differences 277s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 277s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 277s gmx mdrun -notunepme >mdrun.out 2>&1 278s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 278s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 278s PASSED but check mdp file differences 278s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 278s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 278s gmx mdrun -notunepme >mdrun.out 2>&1 279s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx mdrun -notunepme >mdrun.out 2>&1 279s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 279s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx mdrun -notunepme -cpi /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 279s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/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 279s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 279s PASSED but check mdp file differences 279s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 279s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 279s gmx mdrun -notunepme >mdrun.out 2>&1 280s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 280s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 280s PASSED but check mdp file differences 280s Testing urea . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 280s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 280s gmx mdrun -notunepme >mdrun.out 2>&1 280s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 280s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 280s PASSED but check mdp file differences 280s Testing walls . . . gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 280s gmx check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 280s gmx mdrun -notunepme >mdrun.out 2>&1 280s gmx check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 280s gmx check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 280s PASSED but check mdp file differences 280s All 48 complex tests PASSED 280s All 0 extra tests PASSED 280s Testing linfix . . . 280s gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 280s echo 0 | gmx make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 280s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 280s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 280s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 280s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 280s Testing linacc . . . 280s gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 280s echo 0 | gmx make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 280s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 280s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 280s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 280s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 280s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 280s Testing radfix . . . 280s gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 280s echo 0 | gmx make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/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 280s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 280s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 280s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 280s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 280s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 280s Testing radacc . . . 280s gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 280s echo 0 | gmx make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 280s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 280s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 280s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 280s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 280s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 280s Testing radcon . . . 280s gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 280s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 280s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 280s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 280s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 280s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 280s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 280s Testing flooding1 . . . 280s gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 281s gmx mdrun -ei /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 281s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 281s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 281s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 281s Comparing column #3 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 281s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 281s Comparing column #5 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 281s Comparing column #6 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 281s Comparing column #7 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 281s Testing flooding2 . . . 281s gmx grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 281s gmx mdrun -ei /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 283s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 283s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 283s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 283s Comparing column #3 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 283s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 283s Comparing column #5 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 283s Comparing column #6 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 283s Comparing column #7 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 283s All 7 essential dynamics tests PASSED 283s ======================================================== 283s Starting regression tests: basic build, double precision 283s ======================================================== 283s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 283s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 283s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 283s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 283s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 283s PASSED but check mdp file differences 283s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 283s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 283s gmx_d mdrun -notunepme >mdrun.out 2>&1 284s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 284s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 284s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 284s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 284s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 284s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 284s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 284s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 284s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 284s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 284s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 284s gmx_d mdrun -notunepme >mdrun.out 2>&1 284s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 284s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 284s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 284s gmx_d mdrun -notunepme >mdrun.out 2>&1 284s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 284s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 284s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 284s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 284s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 284s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 284s PASSED but check mdp file differences 284s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 284s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 284s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 361s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 361s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 361s PASSED but check mdp file differences 361s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 361s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 361s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 361s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 361s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 361s PASSED but check mdp file differences 361s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 361s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 361s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 361s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 361s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 361s PASSED but check mdp file differences 361s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 361s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 361s gmx_d mdrun -notunepme >mdrun.out 2>&1 361s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 361s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 361s PASSED but check mdp file differences 361s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 362s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 362s gmx_d mdrun -notunepme >mdrun.out 2>&1 362s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 362s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 362s PASSED but check mdp file differences 362s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 362s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 362s gmx_d mdrun -notunepme >mdrun.out 2>&1 362s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 362s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 362s PASSED but check mdp file differences 362s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 362s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 362s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 362s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 362s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 362s PASSED but check mdp file differences 362s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 362s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 362s gmx_d mdrun -notunepme >mdrun.out 2>&1 363s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 363s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 363s PASSED but check mdp file differences 363s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 363s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 363s gmx_d mdrun -notunepme >mdrun.out 2>&1 363s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 363s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 363s PASSED but check mdp file differences 363s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 363s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 363s gmx_d mdrun -notunepme >mdrun.out 2>&1 363s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 363s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 363s PASSED but check mdp file differences 363s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 363s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 363s gmx_d mdrun -notunepme >mdrun.out 2>&1 364s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 364s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 364s PASSED but check mdp file differences 364s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 364s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 364s gmx_d mdrun -notunepme >mdrun.out 2>&1 364s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 364s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 364s PASSED but check mdp file differences 364s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 364s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 364s gmx_d mdrun -notunepme >mdrun.out 2>&1 365s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 365s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 365s PASSED but check mdp file differences 365s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 365s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 365s gmx_d mdrun -notunepme >mdrun.out 2>&1 365s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 365s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 365s PASSED but check mdp file differences 365s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 365s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/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 365s gmx_d mdrun -notunepme >mdrun.out 2>&1 365s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 365s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/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 365s PASSED but check mdp file differences 365s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 365s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 365s gmx_d mdrun -notunepme >mdrun.out 2>&1 365s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 365s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 365s PASSED but check mdp file differences 365s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 365s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 365s gmx_d mdrun -notunepme >mdrun.out 2>&1 365s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 365s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 366s PASSED but check mdp file differences 366s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 366s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 366s gmx_d mdrun -notunepme >mdrun.out 2>&1 366s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 366s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 366s PASSED but check mdp file differences 366s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 366s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 366s gmx_d mdrun -notunepme >mdrun.out 2>&1 366s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 366s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 366s PASSED but check mdp file differences 366s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 366s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 366s gmx_d mdrun -notunepme >mdrun.out 2>&1 366s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 366s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 366s PASSED but check mdp file differences 366s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 366s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 366s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 398s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 398s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 398s PASSED but check mdp file differences 398s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 398s gmx_d mdrun -notunepme >mdrun.out 2>&1 398s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 398s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 398s PASSED but check mdp file differences 398s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 398s gmx_d mdrun -notunepme >mdrun.out 2>&1 399s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 399s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 399s PASSED but check mdp file differences 399s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 399s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 399s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 404s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 404s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 404s PASSED but check mdp file differences 404s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 405s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 405s gmx_d mdrun -notunepme >mdrun.out 2>&1 405s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 405s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 405s PASSED but check mdp file differences 405s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 405s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 405s gmx_d mdrun -notunepme >mdrun.out 2>&1 405s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 405s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 405s PASSED but check mdp file differences 405s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 405s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 405s gmx_d mdrun -notunepme >mdrun.out 2>&1 405s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 405s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 405s PASSED but check mdp file differences 405s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 405s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 405s gmx_d mdrun -notunepme >mdrun.out 2>&1 405s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 406s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 406s PASSED but check mdp file differences 406s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 406s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 406s gmx_d mdrun -notunepme >mdrun.out 2>&1 406s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 406s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 406s PASSED but check mdp file differences 406s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 406s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 406s gmx_d mdrun -notunepme >mdrun.out 2>&1 406s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 406s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 406s PASSED but check mdp file differences 406s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 406s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 406s gmx_d mdrun -notunepme >mdrun.out 2>&1 406s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 406s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 406s PASSED but check mdp file differences 406s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 406s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 406s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 406s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 406s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 406s PASSED but check mdp file differences 406s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 406s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 406s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 407s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 407s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 407s PASSED but check mdp file differences 407s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 407s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 407s gmx_d mdrun -notunepme >mdrun.out 2>&1 408s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 408s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 408s PASSED but check mdp file differences 408s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 408s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 408s gmx_d mdrun -notunepme >mdrun.out 2>&1 409s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 409s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 409s PASSED but check mdp file differences 409s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 409s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 409s gmx_d mdrun -notunepme >mdrun.out 2>&1 410s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 410s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 410s PASSED but check mdp file differences 410s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 410s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 410s gmx_d mdrun -notunepme >mdrun.out 2>&1 410s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 410s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 411s PASSED but check mdp file differences 411s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 411s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 411s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 411s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/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 411s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 411s PASSED but check mdp file differences 411s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 411s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 411s gmx_d mdrun -notunepme >mdrun.out 2>&1 411s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 411s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 411s PASSED but check mdp file differences 411s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 411s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 411s gmx_d mdrun -notunepme >mdrun.out 2>&1 412s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 412s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 412s PASSED but check mdp file differences 412s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 412s gmx_d check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 412s gmx_d mdrun -notunepme >mdrun.out 2>&1 412s gmx_d check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 412s gmx_d check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 412s PASSED but check mdp file differences 412s All 48 complex tests PASSED 412s All 0 extra tests PASSED 412s Testing linfix . . . 412s gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 412s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 412s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 412s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 412s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 412s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 412s Testing linacc . . . 412s gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 412s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 412s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 412s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 412s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 412s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 412s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 412s Testing radfix . . . 412s gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 412s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/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 412s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 412s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 412s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 412s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 412s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 412s Testing radacc . . . 412s gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 412s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 412s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 412s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 412s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 412s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 412s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 412s Testing radcon . . . 412s gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 412s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 412s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 412s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 412s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 412s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 412s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 412s Testing flooding1 . . . 412s gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 413s gmx_d mdrun -ei /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 413s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 413s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 413s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 413s Comparing column #3 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 413s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 413s Comparing column #5 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 413s Comparing column #6 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 413s Comparing column #7 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 413s Testing flooding2 . . . 413s gmx_d grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 413s gmx_d mdrun -ei /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 415s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 415s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 415s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 415s Comparing column #3 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 415s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 415s Comparing column #5 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 415s Comparing column #6 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 415s Comparing column #7 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 415s All 7 essential dynamics tests PASSED 415s ============================================================= 415s Starting regression tests: MPI build, single precision (only) 415s ============================================================= 415s Will test on 4 MPI ranks (if possible) 415s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 415s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 415s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 415s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 415s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 415s PASSED but check mdp file differences 415s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 415s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 415s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 417s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 417s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 417s PASSED but check mdp file differences 417s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 417s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 417s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 417s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 417s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 417s PASSED but check mdp file differences 417s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 417s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 417s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 418s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 418s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 418s PASSED but check mdp file differences 418s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 418s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 418s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 418s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 418s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 418s PASSED but check mdp file differences 418s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 418s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 418s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 418s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 418s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 418s PASSED but check mdp file differences 418s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 418s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 418s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 418s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 418s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 418s PASSED but check mdp file differences 418s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 418s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 418s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 419s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 419s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 419s PASSED but check mdp file differences 419s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 419s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 419s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 419s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 419s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 419s PASSED but check mdp file differences 419s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 419s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 419s mpirun -np 1 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 420s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 420s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 420s PASSED but check mdp file differences 420s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 420s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 420s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 420s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 420s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 420s PASSED but check mdp file differences 420s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 420s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 420s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 420s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 420s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 420s PASSED but check mdp file differences 420s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 421s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 421s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 421s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 421s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 421s PASSED but check mdp file differences 421s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 421s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 421s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 422s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 422s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 422s PASSED but check mdp file differences 422s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 422s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 422s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 422s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 422s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 422s PASSED but check mdp file differences 422s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 422s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 422s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 423s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 423s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 423s PASSED but check mdp file differences 423s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 423s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 423s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 423s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 423s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 423s PASSED but check mdp file differences 423s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 423s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 423s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 425s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 425s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 425s PASSED but check mdp file differences 425s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 425s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 425s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 425s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 425s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 425s PASSED but check mdp file differences 425s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 425s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 425s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 426s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 426s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 426s PASSED but check mdp file differences 426s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 426s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 426s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 427s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 427s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 427s PASSED but check mdp file differences 427s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 427s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/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 427s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 427s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 427s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/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 427s PASSED but check mdp file differences 427s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 427s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 427s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 427s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 427s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 427s PASSED but check mdp file differences 427s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 427s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 427s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 428s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 428s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 428s PASSED but check mdp file differences 428s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 428s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 428s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 429s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 429s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 429s PASSED but check mdp file differences 429s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 429s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 429s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 429s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 429s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 429s PASSED but check mdp file differences 429s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 429s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 429s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 429s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 429s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 429s PASSED but check mdp file differences 429s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 429s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 429s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 430s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 430s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 430s PASSED but check mdp file differences 430s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 430s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 430s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 430s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 430s PASSED but check mdp file differences 430s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 430s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 432s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 432s PASSED but check mdp file differences 432s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 1 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 439s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 439s PASSED but check mdp file differences 439s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 440s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 440s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 440s PASSED but check mdp file differences 440s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 440s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 440s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 440s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 440s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 440s PASSED but check mdp file differences 440s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 441s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 441s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 441s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 441s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 441s PASSED but check mdp file differences 441s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 441s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 441s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 441s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 441s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 441s PASSED but check mdp file differences 441s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 441s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 441s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 442s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 442s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 442s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 442s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 442s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 442s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 443s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 443s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 443s PASSED but check mdp file differences 443s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 443s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 443s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 443s PASSED but check mdp file differences 443s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 1 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 445s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 445s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 445s PASSED but check mdp file differences 445s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 445s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 445s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 446s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 446s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 446s PASSED but check mdp file differences 446s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 446s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 446s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 447s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 447s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 447s PASSED but check mdp file differences 447s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 447s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 447s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 448s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 448s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 448s PASSED but check mdp file differences 448s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 448s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 449s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 449s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 449s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 449s PASSED but check mdp file differences 449s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 449s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 449s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 450s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/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 450s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 450s PASSED but check mdp file differences 450s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 450s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 450s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 450s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 450s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 450s PASSED but check mdp file differences 450s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 450s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 450s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 450s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 450s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 451s PASSED but check mdp file differences 451s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 451s gmx_mpi check -s1 /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 451s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 451s gmx_mpi check -e /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 451s gmx_mpi check -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 451s PASSED but check mdp file differences 451s All 48 complex tests PASSED 451s All 0 extra tests PASSED 451s Testing linfix . . . 451s gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 451s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 451s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 451s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 451s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 451s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 451s Testing linacc . . . 451s gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 451s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 451s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 451s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 451s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 451s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 451s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 451s Testing radfix . . . 451s gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 451s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/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 451s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 452s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 452s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 452s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 452s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 452s Testing radacc . . . 452s gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 452s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 452s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 452s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 452s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 452s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 452s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 452s Testing radcon . . . 452s gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 452s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 452s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 452s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 452s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 452s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 453s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 453s Testing flooding1 . . . 453s gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 453s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 453s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 453s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 453s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 453s Comparing column #3 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 453s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 453s Comparing column #5 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 453s Comparing column #6 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 453s Comparing column #7 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 453s Testing flooding2 . . . 453s gmx_mpi grompp -f /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 453s mpirun -np 4 -wdir /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 455s Comparing column #0 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 455s Comparing column #1 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 455s Comparing column #2 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 455s Comparing column #3 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 455s Comparing column #4 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 455s Comparing column #5 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 455s Comparing column #6 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 455s Comparing column #7 of .xvg files /tmp/autopkgtest.hBH66x/build.gyr/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 455s All 7 essential dynamics tests PASSED 455s Cleaning acetonitrilRF 455s Cleaning aminoacids 455s Cleaning argon 455s Cleaning awh_multibias 455s Cleaning awh_multidim 455s Cleaning butane 455s Cleaning cbt 455s Cleaning dd121 455s Cleaning dec+water 455s Cleaning distance_restraints 455s Cleaning ethyleenglycol 455s Cleaning field 455s Cleaning nacl 455s Cleaning nbnxn-energy-groups 455s Cleaning nbnxn-free-energy 455s Cleaning nbnxn-free-energy-vv 455s Cleaning nbnxn-ljpme-geometric 455s Cleaning nbnxn-ljpme-LB 455s Cleaning nbnxn-ljpme-LB-geometric 455s Cleaning nbnxn-vdw-force-switch 455s Cleaning nbnxn-vdw-potential-switch 455s Cleaning nbnxn-vdw-potential-switch-argon 455s Cleaning nbnxn_pme 455s Cleaning nbnxn_pme_order5 455s Cleaning nbnxn_pme_order6 455s Cleaning nbnxn_rf 455s Cleaning nbnxn_rzero 455s Cleaning nbnxn_vsite 455s Cleaning nst_mismatch 455s Cleaning octahedron 455s Cleaning orientation-restraints 455s Cleaning position-restraints 455s Cleaning pr-vrescale 455s Cleaning pull_constraint 455s Cleaning pull_cylinder 455s Cleaning pull_geometry_angle 455s Cleaning pull_geometry_angle-axis 455s Cleaning pull_geometry_dihedral 455s Cleaning reb 455s Cleaning sw 455s Cleaning swap_x 455s Cleaning swap_y 455s Cleaning swap_z 455s Cleaning tip4p 455s Cleaning tip4p_continue 455s Cleaning tip4pflex 455s Cleaning urea 455s Cleaning walls 455s Cleaning flooding1 455s Cleaning flooding2 455s Cleaning linacc 455s Cleaning linfix 455s Cleaning radacc 455s Cleaning radcon 455s Cleaning radfix 456s autopkgtest [23:02:52]: test gromacs-regressiontests: -----------------------] 456s gromacs-regressiontests PASS 456s autopkgtest [23:02:52]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 457s autopkgtest [23:02:53]: @@@@@@@@@@@@@@@@@@@@ summary 457s gromacs-regressiontests PASS 473s nova [W] Using flock in prodstack6-s390x 473s Creating nova instance adt-plucky-s390x-gromacs-20250215-225516-juju-7f2275-prod-proposed-migration-environment-20-352fa173-ec44-4a89-b948-46af0ae6ad99 from image adt/ubuntu-plucky-s390x-server-20250215.img (UUID 099dc609-2061-4009-a65b-d554466baca0)... 473s nova [W] Timed out waiting for af9fdfcb-85ac-4d7e-804d-252d59197505 to get deleted.