0s autopkgtest [20:29:04]: starting date and time: 2024-11-16 20:29:04+0000 0s autopkgtest [20:29:04]: git checkout: 0acbae0a WIP show VirtSubproc stderr in real-time 0s autopkgtest [20:29:04]: host juju-7f2275-prod-proposed-migration-environment-2; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.4k27bvlu/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:openmpi,src:armci-mpi,src:murasaki --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=openmpi/5.0.5-6 armci-mpi/0.4-4 murasaki/1.68.6-14' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-ppc64el --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-2@bos03-ppc64el-25.secgroup --name adt-plucky-ppc64el-gromacs-20241116-195520-juju-7f2275-prod-proposed-migration-environment-2-ef723563-b7bd-4bc9-b4a7-8f54cae56786 --image adt/ubuntu-plucky-ppc64el-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-2 --net-id=net_prod-proposed-migration-ppc64el -e TERM=linux -e ''"'"'http_proxy=http://squid.internal:3128'"'"'' -e ''"'"'https_proxy=http://squid.internal:3128'"'"'' -e ''"'"'no_proxy=127.0.0.1,127.0.1.1,login.ubuntu.com,localhost,localdomain,novalocal,internal,archive.ubuntu.com,ports.ubuntu.com,security.ubuntu.com,ddebs.ubuntu.com,changelogs.ubuntu.com,keyserver.ubuntu.com,launchpadlibrarian.net,launchpadcontent.net,launchpad.net,10.24.0.0/24,keystone.ps5.canonical.com,objectstorage.prodstack5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 117s autopkgtest [20:31:01]: testbed dpkg architecture: ppc64el 117s autopkgtest [20:31:01]: testbed apt version: 2.9.8 117s autopkgtest [20:31:01]: @@@@@@@@@@@@@@@@@@@@ test bed setup 118s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [73.9 kB] 118s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [1005 kB] 119s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [90.7 kB] 119s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [7016 B] 119s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [15.5 kB] 119s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main ppc64el Packages [148 kB] 119s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el Packages [773 kB] 119s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse ppc64el Packages [8932 B] 119s Fetched 2122 kB in 1s (2053 kB/s) 119s Reading package lists... 122s Reading package lists... 122s Building dependency tree... 122s Reading state information... 122s Calculating upgrade... 122s The following NEW packages will be installed: 122s python3.13-gdbm 122s The following packages will be upgraded: 122s debianutils libftdi1-2 libnvme1t64 python3-gdbm 122s 4 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. 122s Need to get 272 kB of archives. 122s After this operation, 141 kB of additional disk space will be used. 122s Get:1 http://ftpmaster.internal/ubuntu plucky/main ppc64el debianutils ppc64el 5.21 [93.7 kB] 122s Get:2 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3.13-gdbm ppc64el 3.13.0-2 [31.5 kB] 122s Get:3 http://ftpmaster.internal/ubuntu plucky/main ppc64el python3-gdbm ppc64el 3.12.7-1 [8640 B] 122s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el libftdi1-2 ppc64el 1.5-7build1 [32.2 kB] 122s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el libnvme1t64 ppc64el 1.11-2 [106 kB] 123s Fetched 272 kB in 0s (659 kB/s) 123s (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 ... 73808 files and directories currently installed.) 123s Preparing to unpack .../debianutils_5.21_ppc64el.deb ... 123s Unpacking debianutils (5.21) over (5.20) ... 123s Setting up debianutils (5.21) ... 123s Selecting previously unselected package python3.13-gdbm. 123s (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 ... 73808 files and directories currently installed.) 123s Preparing to unpack .../python3.13-gdbm_3.13.0-2_ppc64el.deb ... 123s Unpacking python3.13-gdbm (3.13.0-2) ... 123s Preparing to unpack .../python3-gdbm_3.12.7-1_ppc64el.deb ... 123s Unpacking python3-gdbm:ppc64el (3.12.7-1) over (3.12.6-1ubuntu1) ... 123s Preparing to unpack .../libftdi1-2_1.5-7build1_ppc64el.deb ... 123s Unpacking libftdi1-2:ppc64el (1.5-7build1) over (1.5-7) ... 123s Preparing to unpack .../libnvme1t64_1.11-2_ppc64el.deb ... 123s Unpacking libnvme1t64 (1.11-2) over (1.11-1) ... 123s Setting up libftdi1-2:ppc64el (1.5-7build1) ... 123s Setting up libnvme1t64 (1.11-2) ... 123s Setting up python3.13-gdbm (3.13.0-2) ... 123s Setting up python3-gdbm:ppc64el (3.12.7-1) ... 123s Processing triggers for man-db (2.13.0-1) ... 125s Processing triggers for libc-bin (2.40-1ubuntu3) ... 125s Reading package lists... 125s Building dependency tree... 125s Reading state information... 125s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 126s Hit:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease 126s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 126s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 126s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 127s Reading package lists... 127s Reading package lists... 127s Building dependency tree... 127s Reading state information... 127s Calculating upgrade... 127s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 127s Reading package lists... 128s Building dependency tree... 128s Reading state information... 128s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 131s autopkgtest [20:31:15]: testbed running kernel: Linux 6.11.0-8-generic #8-Ubuntu SMP Mon Sep 16 13:49:23 UTC 2024 131s autopkgtest [20:31:15]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 137s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (dsc) [3648 B] 137s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [48.1 MB] 137s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [42.4 MB] 137s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (diff) [37.8 kB] 137s gpgv: Signature made Sat May 11 22:19:23 2024 UTC 137s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 137s gpgv: issuer "nbreen@debian.org" 137s gpgv: Can't check signature: No public key 137s dpkg-source: warning: cannot verify inline signature for ./gromacs_2024.2-1.dsc: no acceptable signature found 140s autopkgtest [20:31:24]: testing package gromacs version 2024.2-1 141s autopkgtest [20:31:25]: build not needed 150s autopkgtest [20:31:34]: test gromacs-regressiontests: preparing testbed 152s Reading package lists... 152s Building dependency tree... 152s Reading state information... 152s Starting pkgProblemResolver with broken count: 0 152s Starting 2 pkgProblemResolver with broken count: 0 152s Done 152s The following additional packages will be installed: 152s build-essential cpp cpp-14 cpp-14-powerpc64le-linux-gnu 152s cpp-powerpc64le-linux-gnu fonts-mathjax g++ g++-14 152s g++-14-powerpc64le-linux-gnu g++-powerpc64le-linux-gnu gcc gcc-14 152s gcc-14-powerpc64le-linux-gnu gcc-powerpc64le-linux-gnu gromacs gromacs-data 152s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 libdrm-amdgpu1 152s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 152s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 152s libgomp1 libgromacs-dev libgromacs9 libhsa-runtime64-1 libhsakmt1 152s libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 152s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 152s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi3t64 libpciaccess0 152s libpmix2t64 libquadmath0 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 152s libucx0 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 152s openmpi-common 152s Suggested packages: 152s cpp-doc gcc-14-locales cpp-14-doc gcc-14-doc gcc-multilib manpages-dev 152s autoconf automake libtool flex bison gdb gcc-doc gdb-powerpc64le-linux-gnu 152s pymol libfftw3-doc mpi-default-dev zlib1g-dev fonts-mathjax-extras 152s fonts-stix libjs-mathjax-doc libstdc++-14-doc opencl-icd gfortran 152s | fortran-compiler 152s The following NEW packages will be installed: 152s autopkgtest-satdep build-essential cpp cpp-14 cpp-14-powerpc64le-linux-gnu 152s cpp-powerpc64le-linux-gnu fonts-mathjax g++ g++-14 152s g++-14-powerpc64le-linux-gnu g++-powerpc64le-linux-gnu gcc gcc-14 152s gcc-14-powerpc64le-linux-gnu gcc-powerpc64le-linux-gnu gromacs gromacs-data 152s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 libdrm-amdgpu1 152s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 152s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 152s libgomp1 libgromacs-dev libgromacs9 libhsa-runtime64-1 libhsakmt1 152s libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 152s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 152s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi3t64 libpciaccess0 152s libpmix2t64 libquadmath0 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 152s libucx0 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 152s openmpi-common 152s 0 upgraded, 66 newly installed, 0 to remove and 0 not upgraded. 152s Need to get 203 MB/203 MB of archives. 152s After this operation, 925 MB of additional disk space will be used. 152s Get:1 /tmp/autopkgtest.AapDgL/1-autopkgtest-satdep.deb autopkgtest-satdep ppc64el 0 [764 B] 153s Get:2 http://ftpmaster.internal/ubuntu plucky/main ppc64el libisl23 ppc64el 0.27-1 [882 kB] 153s Get:3 http://ftpmaster.internal/ubuntu plucky/main ppc64el libmpc3 ppc64el 1.3.1-1build2 [62.1 kB] 153s Get:4 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [10.5 MB] 153s Get:5 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-14 ppc64el 14.2.0-8ubuntu1 [1034 B] 153s Get:6 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [5456 B] 153s Get:7 http://ftpmaster.internal/ubuntu plucky/main ppc64el cpp ppc64el 4:14.1.0-2ubuntu1 [22.5 kB] 153s Get:8 http://ftpmaster.internal/ubuntu plucky/main ppc64el libcc1-0 ppc64el 14.2.0-8ubuntu1 [48.1 kB] 153s Get:9 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgomp1 ppc64el 14.2.0-8ubuntu1 [161 kB] 153s Get:10 http://ftpmaster.internal/ubuntu plucky/main ppc64el libitm1 ppc64el 14.2.0-8ubuntu1 [31.9 kB] 153s Get:11 http://ftpmaster.internal/ubuntu plucky/main ppc64el libasan8 ppc64el 14.2.0-8ubuntu1 [2945 kB] 153s Get:12 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblsan0 ppc64el 14.2.0-8ubuntu1 [1322 kB] 154s Get:13 http://ftpmaster.internal/ubuntu plucky/main ppc64el libtsan2 ppc64el 14.2.0-8ubuntu1 [2695 kB] 154s Get:14 http://ftpmaster.internal/ubuntu plucky/main ppc64el libubsan1 ppc64el 14.2.0-8ubuntu1 [1191 kB] 154s Get:15 http://ftpmaster.internal/ubuntu plucky/main ppc64el libquadmath0 ppc64el 14.2.0-8ubuntu1 [158 kB] 154s Get:16 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgcc-14-dev ppc64el 14.2.0-8ubuntu1 [1619 kB] 154s Get:17 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [20.6 MB] 154s Get:18 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-14 ppc64el 14.2.0-8ubuntu1 [528 kB] 154s Get:19 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [1222 B] 154s Get:20 http://ftpmaster.internal/ubuntu plucky/main ppc64el gcc ppc64el 4:14.1.0-2ubuntu1 [5006 B] 154s Get:21 http://ftpmaster.internal/ubuntu plucky/main ppc64el libstdc++-14-dev ppc64el 14.2.0-8ubuntu1 [2673 kB] 154s Get:22 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14-powerpc64le-linux-gnu ppc64el 14.2.0-8ubuntu1 [12.0 MB] 155s Get:23 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-14 ppc64el 14.2.0-8ubuntu1 [19.9 kB] 155s Get:24 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++-powerpc64le-linux-gnu ppc64el 4:14.1.0-2ubuntu1 [968 B] 155s Get:25 http://ftpmaster.internal/ubuntu plucky/main ppc64el g++ ppc64el 4:14.1.0-2ubuntu1 [1090 B] 155s Get:26 http://ftpmaster.internal/ubuntu plucky/main ppc64el build-essential ppc64el 12.10ubuntu1 [4936 B] 155s Get:27 http://ftpmaster.internal/ubuntu plucky/main ppc64el fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 155s Get:28 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libllvm17t64 ppc64el 1:17.0.6-18 [27.0 MB] 155s Get:29 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamd-comgr2 ppc64el 6.0+git20231212.4510c28+dfsg-3build2 [15.3 MB] 156s Get:30 http://ftpmaster.internal/ubuntu plucky/main ppc64el libdrm-amdgpu1 ppc64el 2.4.123-1 [24.8 kB] 156s Get:31 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsakmt1 ppc64el 5.7.0-1build1 [76.4 kB] 156s Get:32 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhsa-runtime64-1 ppc64el 5.7.1-2build1 [330 kB] 156s Get:33 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libamdhip64-5 ppc64el 5.7.1-5 [9354 kB] 156s Get:34 http://ftpmaster.internal/ubuntu plucky/main ppc64el libblas3 ppc64el 3.12.0-3build2 [222 kB] 156s Get:35 http://ftpmaster.internal/ubuntu plucky/main ppc64el libevent-pthreads-2.1-7t64 ppc64el 2.1.12-stable-10 [8026 B] 156s Get:36 http://ftpmaster.internal/ubuntu plucky/main ppc64el librdmacm1t64 ppc64el 52.0-2ubuntu1 [80.6 kB] 156s Get:37 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libfabric1 ppc64el 1.17.0-3ubuntu1 [692 kB] 156s Get:38 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-double3 ppc64el 3.3.10-1ubuntu4 [443 kB] 156s Get:39 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-long3 ppc64el 3.3.10-1ubuntu4 [708 kB] 156s Get:40 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-single3 ppc64el 3.3.10-1ubuntu4 [450 kB] 156s Get:41 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-bin ppc64el 3.3.10-1ubuntu4 [35.0 kB] 156s Get:42 http://ftpmaster.internal/ubuntu plucky/main ppc64el libfftw3-dev ppc64el 3.3.10-1ubuntu4 [1299 kB] 156s Get:43 http://ftpmaster.internal/ubuntu plucky/main ppc64el libgfortran5 ppc64el 14.2.0-8ubuntu1 [571 kB] 156s Get:44 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc15 ppc64el 2.11.2-1 [220 kB] 156s Get:45 http://ftpmaster.internal/ubuntu plucky/main ppc64el liblapack3 ppc64el 3.12.0-3build2 [2806 kB] 156s Get:46 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmuparser2v5 ppc64el 2.3.4-1 [138 kB] 156s Get:47 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libmunge2 ppc64el 0.5.15-4build1 [17.7 kB] 156s Get:48 http://ftpmaster.internal/ubuntu plucky/main ppc64el libpciaccess0 ppc64el 0.17-3build1 [21.4 kB] 156s Get:49 http://ftpmaster.internal/ubuntu plucky/main ppc64el libxnvctrl0 ppc64el 510.47.03-0ubuntu4 [12.6 kB] 156s Get:50 http://ftpmaster.internal/ubuntu plucky/universe ppc64el ocl-icd-libopencl1 ppc64el 2.3.2-1build1 [42.9 kB] 156s Get:51 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libhwloc-plugins ppc64el 2.11.2-1 [17.5 kB] 156s Get:52 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libpmix2t64 ppc64el 5.0.3-2 [768 kB] 156s Get:53 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibumad3 ppc64el 52.0-2ubuntu1 [31.1 kB] 156s Get:54 http://ftpmaster.internal/ubuntu plucky/main ppc64el libibmad5 ppc64el 52.0-2ubuntu1 [45.5 kB] 156s Get:55 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libucx0 ppc64el 1.17.0+ds-3build1 [1224 kB] 156s Get:56 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el libopenmpi3t64 ppc64el 5.0.5-6 [2247 kB] 156s Get:57 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libgromacs9 ppc64el 2024.2-1 [31.7 MB] 159s Get:58 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libnblib-gmx0 ppc64el 2024.2-1 [339 kB] 159s Get:59 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libnblib-gmx-dev ppc64el 2024.2-1 [26.2 kB] 159s Get:60 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el openmpi-common all 5.0.5-6 [95.6 kB] 159s Get:61 http://ftpmaster.internal/ubuntu plucky-proposed/universe ppc64el openmpi-bin ppc64el 5.0.5-6 [186 kB] 159s Get:62 http://ftpmaster.internal/ubuntu plucky/main ppc64el libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 159s Get:63 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs-data all 2024.2-1 [41.0 MB] 162s Get:64 http://ftpmaster.internal/ubuntu plucky/universe ppc64el gromacs ppc64el 2024.2-1 [59.8 kB] 162s Get:65 http://ftpmaster.internal/ubuntu plucky/universe ppc64el libgromacs-dev ppc64el 2024.2-1 [168 kB] 162s Get:66 http://ftpmaster.internal/ubuntu plucky/universe ppc64el mpi-default-bin ppc64el 1.17 [2296 B] 162s Fetched 203 MB in 9s (21.6 MB/s) 162s Selecting previously unselected package libisl23:ppc64el. 162s (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 ... 73815 files and directories currently installed.) 162s Preparing to unpack .../00-libisl23_0.27-1_ppc64el.deb ... 162s Unpacking libisl23:ppc64el (0.27-1) ... 162s Selecting previously unselected package libmpc3:ppc64el. 162s Preparing to unpack .../01-libmpc3_1.3.1-1build2_ppc64el.deb ... 162s Unpacking libmpc3:ppc64el (1.3.1-1build2) ... 162s Selecting previously unselected package cpp-14-powerpc64le-linux-gnu. 162s Preparing to unpack .../02-cpp-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 162s Unpacking cpp-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 162s Selecting previously unselected package cpp-14. 162s Preparing to unpack .../03-cpp-14_14.2.0-8ubuntu1_ppc64el.deb ... 162s Unpacking cpp-14 (14.2.0-8ubuntu1) ... 162s Selecting previously unselected package cpp-powerpc64le-linux-gnu. 162s Preparing to unpack .../04-cpp-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 162s Unpacking cpp-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 162s Selecting previously unselected package cpp. 162s Preparing to unpack .../05-cpp_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 162s Unpacking cpp (4:14.1.0-2ubuntu1) ... 162s Selecting previously unselected package libcc1-0:ppc64el. 162s Preparing to unpack .../06-libcc1-0_14.2.0-8ubuntu1_ppc64el.deb ... 162s Unpacking libcc1-0:ppc64el (14.2.0-8ubuntu1) ... 162s Selecting previously unselected package libgomp1:ppc64el. 162s Preparing to unpack .../07-libgomp1_14.2.0-8ubuntu1_ppc64el.deb ... 162s Unpacking libgomp1:ppc64el (14.2.0-8ubuntu1) ... 162s Selecting previously unselected package libitm1:ppc64el. 162s Preparing to unpack .../08-libitm1_14.2.0-8ubuntu1_ppc64el.deb ... 162s Unpacking libitm1:ppc64el (14.2.0-8ubuntu1) ... 162s Selecting previously unselected package libasan8:ppc64el. 162s Preparing to unpack .../09-libasan8_14.2.0-8ubuntu1_ppc64el.deb ... 162s Unpacking libasan8:ppc64el (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package liblsan0:ppc64el. 163s Preparing to unpack .../10-liblsan0_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking liblsan0:ppc64el (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package libtsan2:ppc64el. 163s Preparing to unpack .../11-libtsan2_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking libtsan2:ppc64el (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package libubsan1:ppc64el. 163s Preparing to unpack .../12-libubsan1_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking libubsan1:ppc64el (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package libquadmath0:ppc64el. 163s Preparing to unpack .../13-libquadmath0_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking libquadmath0:ppc64el (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package libgcc-14-dev:ppc64el. 163s Preparing to unpack .../14-libgcc-14-dev_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking libgcc-14-dev:ppc64el (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package gcc-14-powerpc64le-linux-gnu. 163s Preparing to unpack .../15-gcc-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking gcc-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package gcc-14. 163s Preparing to unpack .../16-gcc-14_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking gcc-14 (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package gcc-powerpc64le-linux-gnu. 163s Preparing to unpack .../17-gcc-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 163s Unpacking gcc-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 163s Selecting previously unselected package gcc. 163s Preparing to unpack .../18-gcc_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 163s Unpacking gcc (4:14.1.0-2ubuntu1) ... 163s Selecting previously unselected package libstdc++-14-dev:ppc64el. 163s Preparing to unpack .../19-libstdc++-14-dev_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking libstdc++-14-dev:ppc64el (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package g++-14-powerpc64le-linux-gnu. 163s Preparing to unpack .../20-g++-14-powerpc64le-linux-gnu_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking g++-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package g++-14. 163s Preparing to unpack .../21-g++-14_14.2.0-8ubuntu1_ppc64el.deb ... 163s Unpacking g++-14 (14.2.0-8ubuntu1) ... 163s Selecting previously unselected package g++-powerpc64le-linux-gnu. 163s Preparing to unpack .../22-g++-powerpc64le-linux-gnu_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 163s Unpacking g++-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 163s Selecting previously unselected package g++. 163s Preparing to unpack .../23-g++_4%3a14.1.0-2ubuntu1_ppc64el.deb ... 163s Unpacking g++ (4:14.1.0-2ubuntu1) ... 163s Selecting previously unselected package build-essential. 163s Preparing to unpack .../24-build-essential_12.10ubuntu1_ppc64el.deb ... 163s Unpacking build-essential (12.10ubuntu1) ... 163s Selecting previously unselected package fonts-mathjax. 163s Preparing to unpack .../25-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 163s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 164s Selecting previously unselected package libllvm17t64:ppc64el. 164s Preparing to unpack .../26-libllvm17t64_1%3a17.0.6-18_ppc64el.deb ... 164s Unpacking libllvm17t64:ppc64el (1:17.0.6-18) ... 164s Selecting previously unselected package libamd-comgr2:ppc64el. 164s Preparing to unpack .../27-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_ppc64el.deb ... 164s Unpacking libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 164s Selecting previously unselected package libdrm-amdgpu1:ppc64el. 164s Preparing to unpack .../28-libdrm-amdgpu1_2.4.123-1_ppc64el.deb ... 164s Unpacking libdrm-amdgpu1:ppc64el (2.4.123-1) ... 164s Selecting previously unselected package libhsakmt1:ppc64el. 164s Preparing to unpack .../29-libhsakmt1_5.7.0-1build1_ppc64el.deb ... 164s Unpacking libhsakmt1:ppc64el (5.7.0-1build1) ... 165s Selecting previously unselected package libhsa-runtime64-1. 165s Preparing to unpack .../30-libhsa-runtime64-1_5.7.1-2build1_ppc64el.deb ... 165s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 165s Selecting previously unselected package libamdhip64-5. 165s Preparing to unpack .../31-libamdhip64-5_5.7.1-5_ppc64el.deb ... 165s Unpacking libamdhip64-5 (5.7.1-5) ... 165s Selecting previously unselected package libblas3:ppc64el. 165s Preparing to unpack .../32-libblas3_3.12.0-3build2_ppc64el.deb ... 165s Unpacking libblas3:ppc64el (3.12.0-3build2) ... 165s Selecting previously unselected package libevent-pthreads-2.1-7t64:ppc64el. 165s Preparing to unpack .../33-libevent-pthreads-2.1-7t64_2.1.12-stable-10_ppc64el.deb ... 165s Unpacking libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 165s Selecting previously unselected package librdmacm1t64:ppc64el. 165s Preparing to unpack .../34-librdmacm1t64_52.0-2ubuntu1_ppc64el.deb ... 165s Unpacking librdmacm1t64:ppc64el (52.0-2ubuntu1) ... 165s Selecting previously unselected package libfabric1:ppc64el. 165s Preparing to unpack .../35-libfabric1_1.17.0-3ubuntu1_ppc64el.deb ... 165s Unpacking libfabric1:ppc64el (1.17.0-3ubuntu1) ... 165s Selecting previously unselected package libfftw3-double3:ppc64el. 165s Preparing to unpack .../36-libfftw3-double3_3.3.10-1ubuntu4_ppc64el.deb ... 165s Unpacking libfftw3-double3:ppc64el (3.3.10-1ubuntu4) ... 165s Selecting previously unselected package libfftw3-long3:ppc64el. 165s Preparing to unpack .../37-libfftw3-long3_3.3.10-1ubuntu4_ppc64el.deb ... 165s Unpacking libfftw3-long3:ppc64el (3.3.10-1ubuntu4) ... 165s Selecting previously unselected package libfftw3-single3:ppc64el. 165s Preparing to unpack .../38-libfftw3-single3_3.3.10-1ubuntu4_ppc64el.deb ... 165s Unpacking libfftw3-single3:ppc64el (3.3.10-1ubuntu4) ... 165s Selecting previously unselected package libfftw3-bin. 165s Preparing to unpack .../39-libfftw3-bin_3.3.10-1ubuntu4_ppc64el.deb ... 165s Unpacking libfftw3-bin (3.3.10-1ubuntu4) ... 165s Selecting previously unselected package libfftw3-dev:ppc64el. 165s Preparing to unpack .../40-libfftw3-dev_3.3.10-1ubuntu4_ppc64el.deb ... 165s Unpacking libfftw3-dev:ppc64el (3.3.10-1ubuntu4) ... 165s Selecting previously unselected package libgfortran5:ppc64el. 165s Preparing to unpack .../41-libgfortran5_14.2.0-8ubuntu1_ppc64el.deb ... 165s Unpacking libgfortran5:ppc64el (14.2.0-8ubuntu1) ... 165s Selecting previously unselected package libhwloc15:ppc64el. 165s Preparing to unpack .../42-libhwloc15_2.11.2-1_ppc64el.deb ... 165s Unpacking libhwloc15:ppc64el (2.11.2-1) ... 165s Selecting previously unselected package liblapack3:ppc64el. 165s Preparing to unpack .../43-liblapack3_3.12.0-3build2_ppc64el.deb ... 165s Unpacking liblapack3:ppc64el (3.12.0-3build2) ... 165s Selecting previously unselected package libmuparser2v5:ppc64el. 165s Preparing to unpack .../44-libmuparser2v5_2.3.4-1_ppc64el.deb ... 165s Unpacking libmuparser2v5:ppc64el (2.3.4-1) ... 165s Selecting previously unselected package libmunge2:ppc64el. 165s Preparing to unpack .../45-libmunge2_0.5.15-4build1_ppc64el.deb ... 165s Unpacking libmunge2:ppc64el (0.5.15-4build1) ... 165s Selecting previously unselected package libpciaccess0:ppc64el. 165s Preparing to unpack .../46-libpciaccess0_0.17-3build1_ppc64el.deb ... 165s Unpacking libpciaccess0:ppc64el (0.17-3build1) ... 165s Selecting previously unselected package libxnvctrl0:ppc64el. 165s Preparing to unpack .../47-libxnvctrl0_510.47.03-0ubuntu4_ppc64el.deb ... 165s Unpacking libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 165s Selecting previously unselected package ocl-icd-libopencl1:ppc64el. 165s Preparing to unpack .../48-ocl-icd-libopencl1_2.3.2-1build1_ppc64el.deb ... 165s Unpacking ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 165s Selecting previously unselected package libhwloc-plugins:ppc64el. 165s Preparing to unpack .../49-libhwloc-plugins_2.11.2-1_ppc64el.deb ... 165s Unpacking libhwloc-plugins:ppc64el (2.11.2-1) ... 165s Selecting previously unselected package libpmix2t64:ppc64el. 165s Preparing to unpack .../50-libpmix2t64_5.0.3-2_ppc64el.deb ... 165s Unpacking libpmix2t64:ppc64el (5.0.3-2) ... 165s Selecting previously unselected package libibumad3:ppc64el. 165s Preparing to unpack .../51-libibumad3_52.0-2ubuntu1_ppc64el.deb ... 165s Unpacking libibumad3:ppc64el (52.0-2ubuntu1) ... 165s Selecting previously unselected package libibmad5:ppc64el. 165s Preparing to unpack .../52-libibmad5_52.0-2ubuntu1_ppc64el.deb ... 165s Unpacking libibmad5:ppc64el (52.0-2ubuntu1) ... 165s Selecting previously unselected package libucx0:ppc64el. 165s Preparing to unpack .../53-libucx0_1.17.0+ds-3build1_ppc64el.deb ... 165s Unpacking libucx0:ppc64el (1.17.0+ds-3build1) ... 165s Selecting previously unselected package libopenmpi3t64:ppc64el. 165s Preparing to unpack .../54-libopenmpi3t64_5.0.5-6_ppc64el.deb ... 165s Unpacking libopenmpi3t64:ppc64el (5.0.5-6) ... 165s Selecting previously unselected package libgromacs9:ppc64el. 165s Preparing to unpack .../55-libgromacs9_2024.2-1_ppc64el.deb ... 165s Unpacking libgromacs9:ppc64el (2024.2-1) ... 166s Selecting previously unselected package libnblib-gmx0:ppc64el. 166s Preparing to unpack .../56-libnblib-gmx0_2024.2-1_ppc64el.deb ... 166s Unpacking libnblib-gmx0:ppc64el (2024.2-1) ... 166s Selecting previously unselected package libnblib-gmx-dev. 166s Preparing to unpack .../57-libnblib-gmx-dev_2024.2-1_ppc64el.deb ... 166s Unpacking libnblib-gmx-dev (2024.2-1) ... 166s Selecting previously unselected package openmpi-common. 166s Preparing to unpack .../58-openmpi-common_5.0.5-6_all.deb ... 166s Unpacking openmpi-common (5.0.5-6) ... 166s Selecting previously unselected package openmpi-bin. 166s Preparing to unpack .../59-openmpi-bin_5.0.5-6_ppc64el.deb ... 166s Unpacking openmpi-bin (5.0.5-6) ... 166s Selecting previously unselected package libjs-mathjax. 166s Preparing to unpack .../60-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 166s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 166s Selecting previously unselected package gromacs-data. 166s Preparing to unpack .../61-gromacs-data_2024.2-1_all.deb ... 166s Unpacking gromacs-data (2024.2-1) ... 170s Selecting previously unselected package gromacs. 170s Preparing to unpack .../62-gromacs_2024.2-1_ppc64el.deb ... 170s Unpacking gromacs (2024.2-1) ... 170s Selecting previously unselected package libgromacs-dev. 170s Preparing to unpack .../63-libgromacs-dev_2024.2-1_ppc64el.deb ... 170s Unpacking libgromacs-dev (2024.2-1) ... 170s Selecting previously unselected package mpi-default-bin. 170s Preparing to unpack .../64-mpi-default-bin_1.17_ppc64el.deb ... 170s Unpacking mpi-default-bin (1.17) ... 170s Selecting previously unselected package autopkgtest-satdep. 170s Preparing to unpack .../65-1-autopkgtest-satdep.deb ... 170s Unpacking autopkgtest-satdep (0) ... 170s Setting up libpciaccess0:ppc64el (0.17-3build1) ... 170s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 170s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 170s Setting up libevent-pthreads-2.1-7t64:ppc64el (2.1.12-stable-10) ... 170s Setting up libibumad3:ppc64el (52.0-2ubuntu1) ... 170s Setting up libibmad5:ppc64el (52.0-2ubuntu1) ... 170s Setting up libgomp1:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libxnvctrl0:ppc64el (510.47.03-0ubuntu4) ... 170s Setting up libblas3:ppc64el (3.12.0-3build2) ... 170s update-alternatives: using /usr/lib/powerpc64le-linux-gnu/blas/libblas.so.3 to provide /usr/lib/powerpc64le-linux-gnu/libblas.so.3 (libblas.so.3-powerpc64le-linux-gnu) in auto mode 170s Setting up libmunge2:ppc64el (0.5.15-4build1) ... 170s Setting up libllvm17t64:ppc64el (1:17.0.6-18) ... 170s Setting up libquadmath0:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libhwloc15:ppc64el (2.11.2-1) ... 170s Setting up libmpc3:ppc64el (1.3.1-1build2) ... 170s Setting up libfftw3-double3:ppc64el (3.3.10-1ubuntu4) ... 170s Setting up libgfortran5:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libubsan1:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up ocl-icd-libopencl1:ppc64el (2.3.2-1build1) ... 170s Setting up libasan8:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up openmpi-common (5.0.5-6) ... 170s Setting up librdmacm1t64:ppc64el (52.0-2ubuntu1) ... 170s Setting up libamd-comgr2:ppc64el (6.0+git20231212.4510c28+dfsg-3build2) ... 170s Setting up libmuparser2v5:ppc64el (2.3.4-1) ... 170s Setting up libtsan2:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libisl23:ppc64el (0.27-1) ... 170s Setting up libcc1-0:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up liblsan0:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libitm1:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libdrm-amdgpu1:ppc64el (2.4.123-1) ... 170s Setting up libfabric1:ppc64el (1.17.0-3ubuntu1) ... 170s Setting up gromacs-data (2024.2-1) ... 170s Setting up liblapack3:ppc64el (3.12.0-3build2) ... 170s update-alternatives: using /usr/lib/powerpc64le-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/powerpc64le-linux-gnu/liblapack.so.3 (liblapack.so.3-powerpc64le-linux-gnu) in auto mode 170s Setting up libfftw3-single3:ppc64el (3.3.10-1ubuntu4) ... 170s Setting up libfftw3-long3:ppc64el (3.3.10-1ubuntu4) ... 170s Setting up libhwloc-plugins:ppc64el (2.11.2-1) ... 170s Setting up libpmix2t64:ppc64el (5.0.3-2) ... 170s Setting up cpp-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 170s Setting up cpp-14 (14.2.0-8ubuntu1) ... 170s Setting up libgcc-14-dev:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libstdc++-14-dev:ppc64el (14.2.0-8ubuntu1) ... 170s Setting up libhsakmt1:ppc64el (5.7.0-1build1) ... 170s Setting up cpp-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 170s Setting up gcc-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 170s Setting up g++-14-powerpc64le-linux-gnu (14.2.0-8ubuntu1) ... 170s Setting up libfftw3-bin (3.3.10-1ubuntu4) ... 170s Setting up gcc-14 (14.2.0-8ubuntu1) ... 170s Setting up gcc-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 170s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 170s Setting up cpp (4:14.1.0-2ubuntu1) ... 170s Setting up g++-14 (14.2.0-8ubuntu1) ... 170s Setting up libfftw3-dev:ppc64el (3.3.10-1ubuntu4) ... 170s Setting up g++-powerpc64le-linux-gnu (4:14.1.0-2ubuntu1) ... 170s Setting up gcc (4:14.1.0-2ubuntu1) ... 170s Setting up libamdhip64-5 (5.7.1-5) ... 170s Setting up g++ (4:14.1.0-2ubuntu1) ... 170s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 170s Setting up build-essential (12.10ubuntu1) ... 170s Setting up libucx0:ppc64el (1.17.0+ds-3build1) ... 170s Setting up libopenmpi3t64:ppc64el (5.0.5-6) ... 170s Setting up openmpi-bin (5.0.5-6) ... 170s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 170s 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 170s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 170s Setting up libgromacs9:ppc64el (2024.2-1) ... 170s Setting up mpi-default-bin (1.17) ... 170s Setting up gromacs (2024.2-1) ... 170s Setting up libgromacs-dev (2024.2-1) ... 170s Setting up libnblib-gmx0:ppc64el (2024.2-1) ... 170s Setting up libnblib-gmx-dev (2024.2-1) ... 170s Setting up autopkgtest-satdep (0) ... 170s Processing triggers for man-db (2.13.0-1) ... 171s Processing triggers for libc-bin (2.40-1ubuntu3) ... 175s (Reading database ... 104165 files and directories currently installed.) 175s Removing autopkgtest-satdep (0) ... 176s autopkgtest [20:32:00]: test gromacs-regressiontests: [----------------------- 176s ======================================================== 176s Starting regression tests: basic build, single precision 176s ======================================================== 176s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 176s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 176s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 176s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 176s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 176s PASSED but check mdp file differences 176s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 176s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 176s gmx mdrun -notunepme >mdrun.out 2>&1 177s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 177s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 177s PASSED but check mdp file differences 177s Testing argon . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 177s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 177s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 177s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 177s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 177s PASSED but check mdp file differences 177s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 177s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 177s gmx mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 177s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 177s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 177s PASSED but check mdp file differences 177s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 177s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 177s gmx mdrun -notunepme >mdrun.out 2>&1 177s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 177s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 177s PASSED but check mdp file differences 177s Testing butane . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 177s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 177s gmx mdrun -notunepme >mdrun.out 2>&1 177s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 177s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 177s PASSED but check mdp file differences 177s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 177s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 177s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 177s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 177s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 177s PASSED but check mdp file differences 177s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 177s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 177s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 208s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 208s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 208s PASSED but check mdp file differences 208s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 208s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 208s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 208s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 208s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 208s PASSED but check mdp file differences 208s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 208s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 208s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 208s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 208s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 208s PASSED but check mdp file differences 208s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 208s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 208s gmx mdrun -notunepme >mdrun.out 2>&1 209s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 209s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 209s PASSED but check mdp file differences 209s Testing field . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 209s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 209s gmx mdrun -notunepme >mdrun.out 2>&1 209s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 209s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 209s PASSED but check mdp file differences 209s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 209s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 209s gmx mdrun -notunepme >mdrun.out 2>&1 209s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 209s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 209s PASSED but check mdp file differences 209s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 209s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 209s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 210s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 210s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 210s PASSED but check mdp file differences 210s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 210s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 210s gmx mdrun -notunepme >mdrun.out 2>&1 210s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 210s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 210s PASSED but check mdp file differences 210s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 210s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 210s gmx mdrun -notunepme >mdrun.out 2>&1 210s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 210s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 210s PASSED but check mdp file differences 210s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 210s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 210s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 211s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 211s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 211s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 211s PASSED but check mdp file differences 211s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 211s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 211s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 212s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 212s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 212s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 212s PASSED but check mdp file differences 212s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/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 212s gmx mdrun -notunepme >mdrun.out 2>&1 212s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 212s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/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 212s PASSED but check mdp file differences 212s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 212s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 212s gmx mdrun -notunepme >mdrun.out 2>&1 213s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 213s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 213s PASSED but check mdp file differences 213s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 213s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 213s gmx mdrun -notunepme >mdrun.out 2>&1 213s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 213s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 213s PASSED but check mdp file differences 213s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 213s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 213s gmx mdrun -notunepme >mdrun.out 2>&1 213s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 213s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 213s PASSED but check mdp file differences 213s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 213s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 213s gmx mdrun -notunepme >mdrun.out 2>&1 213s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 213s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 214s PASSED but check mdp file differences 214s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx mdrun -notunepme >mdrun.out 2>&1 214s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 214s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 214s PASSED but check mdp file differences 214s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 214s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 214s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 225s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 225s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 225s PASSED but check mdp file differences 225s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 225s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 225s gmx mdrun -notunepme >mdrun.out 2>&1 225s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 225s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 225s PASSED but check mdp file differences 225s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 225s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 225s gmx mdrun -notunepme >mdrun.out 2>&1 226s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 226s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 226s PASSED but check mdp file differences 226s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 227s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 227s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 231s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/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.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/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 position-restraints . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/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 232s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/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.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/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 pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/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 232s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/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.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/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 pull_constraint . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/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 232s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/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.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/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 pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/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.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/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.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/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 pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/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.AapDgL/build.yOx/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 233s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/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 pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/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.AapDgL/build.yOx/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 233s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/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 pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/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.AapDgL/build.yOx/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 233s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/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 reb . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/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.AapDgL/build.yOx/src/regressiontests/complex/reb/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 sw . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 235s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/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.AapDgL/build.yOx/src/regressiontests/complex/sw/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 swap_x . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 235s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/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.AapDgL/build.yOx/src/regressiontests/complex/swap_x/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.AapDgL/build.yOx/src/regressiontests/complex/swap_x/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 swap_y . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 236s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 236s gmx mdrun -notunepme >mdrun.out 2>&1 236s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 236s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 236s PASSED but check mdp file differences 236s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 236s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 236s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/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 237s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing urea . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing walls . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s All 48 complex tests PASSED 238s Testing coulandvdwsequential_coul . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 239s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 239s gmx mdrun -notunepme >mdrun.out 2>&1 240s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 240s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 240s PASSED but check mdp file differences 240s Testing coulandvdwsequential_vdw . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 240s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx mdrun -notunepme >mdrun.out 2>&1 241s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 241s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 241s PASSED but check mdp file differences 241s Testing coulandvdwtogether . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 241s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 241s gmx mdrun -notunepme >mdrun.out 2>&1 242s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 242s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 242s PASSED but check mdp file differences 242s Testing expanded . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 242s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 242s gmx mdrun -notunepme >mdrun.out 2>&1 244s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 244s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 244s PASSED but check mdp file differences 244s Testing relative . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 244s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 244s gmx mdrun -notunepme >mdrun.out 2>&1 246s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 246s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 246s PASSED but check mdp file differences 246s Testing relative-position-restraints . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 246s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 246s gmx mdrun -notunepme >mdrun.out 2>&1 248s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 248s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 248s PASSED but check mdp file differences 248s Testing restraints . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 248s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 248s gmx mdrun -notunepme >mdrun.out 2>&1 266s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 266s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 266s PASSED but check mdp file differences 266s Testing simtemp . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 266s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 266s gmx mdrun -notunepme >mdrun.out 2>&1 267s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/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.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/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 transformAtoB . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 267s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/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.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/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.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/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 vdwalone . . . gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 268s gmx check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 268s gmx mdrun -notunepme >mdrun.out 2>&1 269s gmx check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 269s gmx check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 269s PASSED but check mdp file differences 269s All 10 freeenergy tests PASSED 269s All 0 extra tests PASSED 269s Testing linfix . . . 269s gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 269s echo 0 | gmx make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 269s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 269s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 269s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 269s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 269s Testing linacc . . . 269s gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 269s echo 0 | gmx make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 269s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 270s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 270s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 270s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 270s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 270s Testing radfix . . . 270s gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 270s echo 0 | gmx make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/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 270s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 270s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 270s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 270s Comparing column #4 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 270s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 270s Testing radacc . . . 270s gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 270s echo 0 | gmx make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 270s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 270s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 270s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 270s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 270s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 270s Testing radcon . . . 270s gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 270s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 270s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 270s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 270s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 270s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 270s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 270s Testing flooding1 . . . 270s gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 270s gmx mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 270s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 270s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 270s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 270s Comparing column #3 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 270s Comparing column #4 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 270s Comparing column #5 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 270s Comparing column #6 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 270s Comparing column #7 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 270s Testing flooding2 . . . 270s gmx grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 270s gmx mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 272s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 272s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 272s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 272s Comparing column #3 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 272s Comparing column #4 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 272s Comparing column #5 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 272s Comparing column #6 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 272s Comparing column #7 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 272s All 7 essential dynamics tests PASSED 272s ======================================================== 272s Starting regression tests: basic build, double precision 272s ======================================================== 272s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 272s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx_d mdrun -notunepme >mdrun.out 2>&1 273s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 273s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 273s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 273s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 273s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 273s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx_d mdrun -notunepme >mdrun.out 2>&1 273s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx_d mdrun -notunepme >mdrun.out 2>&1 273s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 273s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 273s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 304s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 304s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 304s PASSED but check mdp file differences 304s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 304s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 304s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 304s PASSED but check mdp file differences 304s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 304s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 304s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 304s PASSED but check mdp file differences 304s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s gmx_d mdrun -notunepme >mdrun.out 2>&1 305s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 305s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 305s PASSED but check mdp file differences 305s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 305s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 305s gmx_d mdrun -notunepme >mdrun.out 2>&1 305s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 305s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 305s PASSED but check mdp file differences 305s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 305s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 305s gmx_d mdrun -notunepme >mdrun.out 2>&1 305s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 305s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 305s PASSED but check mdp file differences 305s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 305s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 305s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 306s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 306s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 306s PASSED but check mdp file differences 306s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 306s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 306s gmx_d mdrun -notunepme >mdrun.out 2>&1 306s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 306s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 306s PASSED but check mdp file differences 306s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 306s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 306s gmx_d mdrun -notunepme >mdrun.out 2>&1 306s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 306s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 306s PASSED but check mdp file differences 306s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 306s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 306s gmx_d mdrun -notunepme >mdrun.out 2>&1 307s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 307s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 307s PASSED but check mdp file differences 307s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 307s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 307s gmx_d mdrun -notunepme >mdrun.out 2>&1 307s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 307s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 307s PASSED but check mdp file differences 307s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 307s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 307s gmx_d mdrun -notunepme >mdrun.out 2>&1 308s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 308s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 308s PASSED but check mdp file differences 308s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 308s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 308s gmx_d mdrun -notunepme >mdrun.out 2>&1 308s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 308s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 308s PASSED but check mdp file differences 308s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 308s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 308s gmx_d mdrun -notunepme >mdrun.out 2>&1 308s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 308s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 308s PASSED but check mdp file differences 308s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 308s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/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 308s gmx_d mdrun -notunepme >mdrun.out 2>&1 308s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 308s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/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 308s PASSED but check mdp file differences 308s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 308s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 308s gmx_d mdrun -notunepme >mdrun.out 2>&1 309s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 309s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 309s PASSED but check mdp file differences 309s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 309s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 309s gmx_d mdrun -notunepme >mdrun.out 2>&1 309s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 309s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 309s PASSED but check mdp file differences 309s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 309s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 309s gmx_d mdrun -notunepme >mdrun.out 2>&1 309s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 309s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 309s PASSED but check mdp file differences 309s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 309s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 309s gmx_d mdrun -notunepme >mdrun.out 2>&1 310s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 310s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 310s PASSED but check mdp file differences 310s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 310s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 310s gmx_d mdrun -notunepme >mdrun.out 2>&1 310s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 310s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 310s PASSED but check mdp file differences 310s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 310s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 310s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 321s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 322s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 322s PASSED but check mdp file differences 322s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 322s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 322s gmx_d mdrun -notunepme >mdrun.out 2>&1 322s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 322s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 322s PASSED but check mdp file differences 322s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 322s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 322s gmx_d mdrun -notunepme >mdrun.out 2>&1 323s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 323s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 323s PASSED but check mdp file differences 323s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 323s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 323s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 328s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 328s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 328s PASSED but check mdp file differences 328s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 329s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 329s gmx_d mdrun -notunepme >mdrun.out 2>&1 329s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 329s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 329s PASSED but check mdp file differences 329s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 329s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 329s gmx_d mdrun -notunepme >mdrun.out 2>&1 329s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 329s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 329s PASSED but check mdp file differences 329s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 329s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 329s gmx_d mdrun -notunepme >mdrun.out 2>&1 329s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 329s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 329s PASSED but check mdp file differences 329s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 329s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 329s gmx_d mdrun -notunepme >mdrun.out 2>&1 330s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 330s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 330s PASSED but check mdp file differences 330s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 330s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 330s gmx_d mdrun -notunepme >mdrun.out 2>&1 330s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 330s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 330s PASSED but check mdp file differences 330s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 330s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 330s gmx_d mdrun -notunepme >mdrun.out 2>&1 330s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 330s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 330s PASSED but check mdp file differences 330s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 330s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 330s gmx_d mdrun -notunepme >mdrun.out 2>&1 330s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 330s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 330s PASSED but check mdp file differences 330s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 330s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 330s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 330s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 330s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 330s PASSED but check mdp file differences 330s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 330s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 330s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 331s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 331s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 331s PASSED but check mdp file differences 331s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 332s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 332s gmx_d mdrun -notunepme >mdrun.out 2>&1 332s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 332s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 332s PASSED but check mdp file differences 332s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 332s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 332s gmx_d mdrun -notunepme >mdrun.out 2>&1 333s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 333s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 333s PASSED but check mdp file differences 333s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 333s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 333s gmx_d mdrun -notunepme >mdrun.out 2>&1 334s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 334s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 334s PASSED but check mdp file differences 334s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 334s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 334s gmx_d mdrun -notunepme >mdrun.out 2>&1 334s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 334s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 334s PASSED but check mdp file differences 334s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 334s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 334s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 334s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/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 334s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 334s PASSED but check mdp file differences 334s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 335s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 335s gmx_d mdrun -notunepme >mdrun.out 2>&1 335s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 335s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 335s PASSED but check mdp file differences 335s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 335s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 335s gmx_d mdrun -notunepme >mdrun.out 2>&1 335s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 335s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 335s PASSED but check mdp file differences 335s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 335s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 335s gmx_d mdrun -notunepme >mdrun.out 2>&1 335s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 335s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 336s PASSED but check mdp file differences 336s All 48 complex tests PASSED 336s Testing coulandvdwsequential_coul . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 336s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 336s gmx_d mdrun -notunepme >mdrun.out 2>&1 337s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 337s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 337s PASSED but check mdp file differences 337s Testing coulandvdwsequential_vdw . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 337s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 337s gmx_d mdrun -notunepme >mdrun.out 2>&1 338s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 338s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 338s PASSED but check mdp file differences 338s Testing coulandvdwtogether . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 338s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 338s gmx_d mdrun -notunepme >mdrun.out 2>&1 339s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 339s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 339s PASSED but check mdp file differences 339s Testing expanded . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 339s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 339s gmx_d mdrun -notunepme >mdrun.out 2>&1 341s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 341s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 341s PASSED but check mdp file differences 341s Testing relative . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 341s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 341s gmx_d mdrun -notunepme >mdrun.out 2>&1 344s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 344s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 344s PASSED but check mdp file differences 344s Testing relative-position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 344s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 344s gmx_d mdrun -notunepme >mdrun.out 2>&1 346s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 346s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 346s PASSED but check mdp file differences 346s Testing restraints . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 346s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 346s gmx_d mdrun -notunepme >mdrun.out 2>&1 366s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/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.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/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 simtemp . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 366s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/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.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/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.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/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 transformAtoB . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 366s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/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 367s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 367s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 367s PASSED but check mdp file differences 367s Testing vdwalone . . . gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 367s gmx_d check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 367s gmx_d mdrun -notunepme >mdrun.out 2>&1 369s gmx_d check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 369s gmx_d check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 369s PASSED but check mdp file differences 369s All 10 freeenergy tests PASSED 369s All 0 extra tests PASSED 369s Testing linfix . . . 369s gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 369s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 369s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 369s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 369s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 369s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 369s Testing linacc . . . 369s gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 369s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 369s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 369s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 369s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 369s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 369s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 369s Testing radfix . . . 369s gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 369s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/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 369s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 369s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 369s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 369s Comparing column #4 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 369s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 369s Testing radacc . . . 369s gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 369s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 369s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 369s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 369s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 369s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 369s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 369s Testing radcon . . . 369s gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 369s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 369s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 369s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 369s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 369s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 369s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 369s Testing flooding1 . . . 369s gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 369s gmx_d mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 369s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 369s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 369s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 369s Comparing column #3 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Comparing column #4 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Comparing column #5 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 369s Comparing column #6 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Comparing column #7 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 369s Testing flooding2 . . . 369s gmx_d grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 370s gmx_d mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 371s Comparing column #0 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 371s Comparing column #1 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 371s Comparing column #2 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 371s Comparing column #3 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 371s Comparing column #4 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 371s Comparing column #5 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 371s Comparing column #6 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 371s Comparing column #7 of .xvg files /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 371s All 7 essential dynamics tests PASSED 371s ============================================================= 371s Starting regression tests: MPI build, single precision (only) 371s ============================================================= 372s Will test on 4 MPI ranks (if possible) 372s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 372s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 372s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 372s 372s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 372s FAILED. Check mdrun.out, md.log file(s) in acetonitrilRF for acetonitrilRF 372s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 372s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 372s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 372s 372s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 372s FAILED. Check mdrun.out, md.log file(s) in aminoacids for aminoacids 372s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 372s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 372s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 372s 372s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 372s FAILED. Check mdrun.out, md.log file(s) in argon for argon 372s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 372s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 372s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 372s 372s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1' was -1 372s FAILED. Check mdrun.out, md.log file(s) in awh_multibias for awh_multibias 372s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 372s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 372s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 372s 372s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 372s FAILED. Check mdrun.out, md.log file(s) in awh_multidim for awh_multidim 372s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 372s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 372s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 372s 372s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 372s FAILED. Check mdrun.out, md.log file(s) in butane for butane 372s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 372s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 373s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 373s 373s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 373s FAILED. Check mdrun.out, md.log file(s) in cbt for cbt 373s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 373s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 373s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 373s 373s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 373s FAILED. Check mdrun.out, md.log file(s) in dd121 for dd121 373s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 373s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 373s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 373s 373s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 373s FAILED. Check mdrun.out, md.log file(s) in dec+water for dec+water 373s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 373s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 373s mpirun -np 1 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 373s gmx_mpi check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 373s gmx_mpi check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 373s PASSED but check mdp file differences 373s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 373s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 373s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 373s 373s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 373s FAILED. Check mdrun.out, md.log file(s) in ethyleenglycol for ethyleenglycol 373s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 374s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 374s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 374s 374s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 374s FAILED. Check mdrun.out, md.log file(s) in field for field 374s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 374s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 374s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 374s 374s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 374s FAILED. Check mdrun.out, md.log file(s) in nacl for nacl 374s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 374s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 374s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 374s 374s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 374s FAILED. Check mdrun.out, md.log file(s) in nbnxn-energy-groups for nbnxn-energy-groups 374s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 374s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 374s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 374s 374s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 374s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy for nbnxn-free-energy 374s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 374s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 374s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 374s 374s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 374s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy-vv for nbnxn-free-energy-vv 374s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 374s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 374s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 374s 374s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 374s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-geometric for nbnxn-ljpme-geometric 374s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB for nbnxn-ljpme-LB 375s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB-geometric for nbnxn-ljpme-LB-geometric 375s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-force-switch for nbnxn-vdw-force-switch 375s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch for nbnxn-vdw-potential-switch 375s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/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 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch-argon for nbnxn-vdw-potential-switch-argon 375s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme for nbnxn_pme 375s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order5 for nbnxn_pme_order5 375s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order6 for nbnxn_pme_order6 375s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 375s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 375s 375s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 375s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rf for nbnxn_rf 375s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 375s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rzero for nbnxn_rzero 376s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in nbnxn_vsite for nbnxn_vsite 376s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in nst_mismatch for nst_mismatch 376s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 376s 376s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 376s FAILED. Check mdrun.out, md.log file(s) in octahedron for octahedron 376s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 376s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 376s mpirun -np 1 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 381s gmx_mpi check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 381s gmx_mpi check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 381s PASSED but check mdp file differences 381s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 382s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 382s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 382s 382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 382s FAILED. Check mdrun.out, md.log file(s) in position-restraints for position-restraints 382s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 382s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 382s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 382s 382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 382s FAILED. Check mdrun.out, md.log file(s) in pr-vrescale for pr-vrescale 382s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 382s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 382s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 382s 382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 382s FAILED. Check mdrun.out, md.log file(s) in pull_constraint for pull_constraint 382s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 382s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 382s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 382s 382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 382s FAILED. Check mdrun.out, md.log file(s) in pull_cylinder for pull_cylinder 382s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 382s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 382s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 382s 382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 382s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle for pull_geometry_angle 382s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 382s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 382s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 382s 382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 382s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle-axis for pull_geometry_angle-axis 382s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 382s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 382s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 382s 382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 382s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_dihedral for pull_geometry_dihedral 382s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 383s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 383s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 383s 383s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 383s FAILED. Check mdrun.out, md.log file(s) in reb for reb 383s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 383s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 383s mpirun -np 1 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 385s gmx_mpi check -e /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 385s gmx_mpi check -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 385s PASSED but check mdp file differences 385s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 386s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 386s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 386s 386s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 386s FAILED. Check mdrun.out, md.log file(s) in swap_x for swap_x 386s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 386s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 386s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 386s 386s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 386s FAILED. Check mdrun.out, md.log file(s) in swap_y for swap_y 386s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 386s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 386s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 386s 386s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 386s FAILED. Check mdrun.out, md.log file(s) in swap_z for swap_z 386s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 387s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 387s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 387s 387s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 387s FAILED. Check mdrun.out, md.log file(s) in tip4p for tip4p 387s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 387s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 387s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 387s 387s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1' was -1 387s FAILED. Check mdrun.out, md.log file(s) in tip4p_continue for tip4p_continue 387s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 387s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 387s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 387s 387s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 387s FAILED. Check mdrun.out, md.log file(s) in tip4pflex for tip4pflex 387s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 387s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 387s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 387s 387s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 387s FAILED. Check mdrun.out, md.log file(s) in urea for urea 387s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 387s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 387s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 387s 387s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 387s FAILED. Check mdrun.out, md.log file(s) in walls for walls 387s 45 out of 48 complex tests FAILED 387s Testing coulandvdwsequential_coul . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 388s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 388s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1 388s 388s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 388s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_coul for coulandvdwsequential_coul 388s Testing coulandvdwsequential_vdw . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 388s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 388s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 388s 388s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 388s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_vdw for coulandvdwsequential_vdw 388s Testing coulandvdwtogether . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 388s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 388s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1 388s 388s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 388s FAILED. Check mdrun.out, md.log file(s) in coulandvdwtogether for coulandvdwtogether 388s Testing expanded . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 388s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 388s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1 388s 388s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 388s FAILED. Check mdrun.out, md.log file(s) in expanded for expanded 388s Testing relative . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 388s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 388s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1 388s 388s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 388s FAILED. Check mdrun.out, md.log file(s) in relative for relative 388s Testing relative-position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 388s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 388s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 389s FAILED. Check mdrun.out, md.log file(s) in relative-position-restraints for relative-position-restraints 389s Testing restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 389s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 389s FAILED. Check mdrun.out, md.log file(s) in restraints for restraints 389s Testing simtemp . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 389s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 389s FAILED. Check mdrun.out, md.log file(s) in simtemp for simtemp 389s Testing transformAtoB . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 389s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 389s FAILED. Check mdrun.out, md.log file(s) in transformAtoB for transformAtoB 389s Testing vdwalone . . . gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 389s gmx_mpi check -s1 /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 389s FAILED. Check mdrun.out, md.log file(s) in vdwalone for vdwalone 389s 10 out of 10 freeenergy tests FAILED 389s All 0 extra tests PASSED 389s Testing linfix . . . 389s gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 389s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1' was -1 389s Testing linacc . . . 389s gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 389s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 389s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1' was -1 389s Testing radfix . . . 389s gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 389s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/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 389s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 389s 389s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1' was -1 389s Testing radacc . . . 389s gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 389s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1' was -1 390s Testing radcon . . . 390s gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 390s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1' was -1 390s Testing flooding1 . . . 390s gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1' was -1 390s Testing flooding2 . . . 390s gmx_mpi grompp -f /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 390s mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 390s 390s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.AapDgL/build.yOx/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1' was -1 390s Essential dynamics tests FAILED with 7 errors! 390s autopkgtest [20:35:34]: test gromacs-regressiontests: -----------------------] 391s gromacs-regressiontests FAIL non-zero exit status 1 391s autopkgtest [20:35:35]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 392s autopkgtest [20:35:36]: @@@@@@@@@@@@@@@@@@@@ summary 392s gromacs-regressiontests FAIL non-zero exit status 1 396s virt: nova [W] Using flock in prodstack6-ppc64el 396s virt: Creating nova instance adt-plucky-ppc64el-gromacs-20241116-195520-juju-7f2275-prod-proposed-migration-environment-2-ef723563-b7bd-4bc9-b4a7-8f54cae56786 from image adt/ubuntu-plucky-ppc64el-server-20241116.img (UUID 15791211-52aa-41ae-85a0-a7d39a3f1ee4)...