0s autopkgtest [19:54:50]: starting date and time: 2024-11-16 19:54:50+0000 0s autopkgtest [19:54:50]: git checkout: 6f3be7a8 Fix armhf LXD image generation for plucky 0s autopkgtest [19:54:50]: host juju-7f2275-prod-proposed-migration-environment-15; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.uakgs9hi/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 --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-15@bos03-arm64-3.secgroup --name adt-plucky-arm64-gromacs-20241116-195449-juju-7f2275-prod-proposed-migration-environment-15-397f7139-4295-4da8-95ae-37634be5ca7e --image adt/ubuntu-plucky-arm64-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-15 --net-id=net_prod-proposed-migration -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/ 91s autopkgtest [19:56:21]: testbed dpkg architecture: arm64 91s autopkgtest [19:56:21]: testbed apt version: 2.9.8 91s autopkgtest [19:56:21]: @@@@@@@@@@@@@@@@@@@@ test bed setup 92s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [73.9 kB] 92s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [15.5 kB] 93s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [1005 kB] 93s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [90.7 kB] 93s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [7016 B] 93s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main arm64 Packages [166 kB] 93s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/restricted arm64 Packages [50.3 kB] 93s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/universe arm64 Packages [783 kB] 93s Get:9 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse arm64 Packages [6404 B] 93s Fetched 2197 kB in 1s (2511 kB/s) 93s Reading package lists... 96s Reading package lists... 96s Building dependency tree... 96s Reading state information... 97s Calculating upgrade... 97s The following NEW packages will be installed: 97s python3.13-gdbm 97s The following packages will be upgraded: 97s debianutils libftdi1-2 libnvme1t64 python3-gdbm 97s 4 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. 97s Need to get 244 kB of archives. 97s After this operation, 141 kB of additional disk space will be used. 97s Get:1 http://ftpmaster.internal/ubuntu plucky/main arm64 debianutils arm64 5.21 [92.9 kB] 97s Get:2 http://ftpmaster.internal/ubuntu plucky/main arm64 python3.13-gdbm arm64 3.13.0-2 [30.7 kB] 97s Get:3 http://ftpmaster.internal/ubuntu plucky/main arm64 python3-gdbm arm64 3.12.7-1 [8642 B] 97s Get:4 http://ftpmaster.internal/ubuntu plucky/main arm64 libftdi1-2 arm64 1.5-7build1 [28.5 kB] 97s Get:5 http://ftpmaster.internal/ubuntu plucky/main arm64 libnvme1t64 arm64 1.11-2 [83.7 kB] 98s Fetched 244 kB in 0s (594 kB/s) 98s (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 ... 79964 files and directories currently installed.) 98s Preparing to unpack .../debianutils_5.21_arm64.deb ... 98s Unpacking debianutils (5.21) over (5.20) ... 98s Setting up debianutils (5.21) ... 98s Selecting previously unselected package python3.13-gdbm. 98s (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 ... 79964 files and directories currently installed.) 98s Preparing to unpack .../python3.13-gdbm_3.13.0-2_arm64.deb ... 98s Unpacking python3.13-gdbm (3.13.0-2) ... 98s Preparing to unpack .../python3-gdbm_3.12.7-1_arm64.deb ... 98s Unpacking python3-gdbm:arm64 (3.12.7-1) over (3.12.6-1ubuntu1) ... 99s Preparing to unpack .../libftdi1-2_1.5-7build1_arm64.deb ... 99s Unpacking libftdi1-2:arm64 (1.5-7build1) over (1.5-7) ... 99s Preparing to unpack .../libnvme1t64_1.11-2_arm64.deb ... 99s Unpacking libnvme1t64 (1.11-2) over (1.11-1) ... 99s Setting up libftdi1-2:arm64 (1.5-7build1) ... 99s Setting up libnvme1t64 (1.11-2) ... 99s Setting up python3.13-gdbm (3.13.0-2) ... 99s Setting up python3-gdbm:arm64 (3.12.7-1) ... 99s Processing triggers for man-db (2.13.0-1) ... 100s Processing triggers for libc-bin (2.40-1ubuntu3) ... 100s Reading package lists... 101s Building dependency tree... 101s Reading state information... 101s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 102s Hit:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease 102s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 102s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 102s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 103s Reading package lists... 103s Reading package lists... 103s Building dependency tree... 103s Reading state information... 104s Calculating upgrade... 104s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 104s Reading package lists... 105s Building dependency tree... 105s Reading state information... 105s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 108s autopkgtest [19:56:38]: testbed running kernel: Linux 6.11.0-8-generic #8-Ubuntu SMP PREEMPT_DYNAMIC Mon Sep 16 14:19:41 UTC 2024 108s autopkgtest [19:56:38]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 119s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (dsc) [3648 B] 119s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [48.1 MB] 119s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [42.4 MB] 119s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (diff) [37.8 kB] 119s gpgv: Signature made Sat May 11 22:19:23 2024 UTC 119s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 119s gpgv: issuer "nbreen@debian.org" 119s gpgv: Can't check signature: No public key 119s dpkg-source: warning: cannot verify inline signature for ./gromacs_2024.2-1.dsc: no acceptable signature found 122s autopkgtest [19:56:52]: testing package gromacs version 2024.2-1 123s autopkgtest [19:56:53]: build not needed 134s autopkgtest [19:57:04]: test gromacs-regressiontests: preparing testbed 139s Reading package lists... 140s Building dependency tree... 140s Reading state information... 140s Starting pkgProblemResolver with broken count: 0 140s Starting 2 pkgProblemResolver with broken count: 0 140s Done 141s The following additional packages will be installed: 141s build-essential cpp cpp-14 cpp-14-aarch64-linux-gnu cpp-aarch64-linux-gnu 141s fonts-mathjax g++ g++-14 g++-14-aarch64-linux-gnu g++-aarch64-linux-gnu gcc 141s gcc-14 gcc-14-aarch64-linux-gnu gcc-aarch64-linux-gnu gromacs gromacs-data 141s libamd-comgr2 libamdhip64-5 libasan8 libblas3 libcc1-0 libdrm-amdgpu1 141s libevent-pthreads-2.1-7t64 libfabric1 libfftw3-bin libfftw3-dev 141s libfftw3-double3 libfftw3-long3 libfftw3-single3 libgcc-14-dev libgfortran5 141s libgomp1 libgromacs-dev libgromacs9 libhsa-runtime64-1 libhsakmt1 libhwasan0 141s libhwloc-plugins libhwloc15 libibmad5 libibumad3 libisl23 libitm1 141s libjs-mathjax liblapack3 libllvm17t64 liblsan0 libmpc3 libmunge2 141s libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi3t64 libpciaccess0 141s libpmix2t64 librdmacm1t64 libstdc++-14-dev libtsan2 libubsan1 libucx0 141s libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin openmpi-common 141s Suggested packages: 141s cpp-doc gcc-14-locales cpp-14-doc gcc-14-doc gcc-multilib manpages-dev 141s autoconf automake libtool flex bison gdb gcc-doc gdb-aarch64-linux-gnu pymol 141s libfftw3-doc mpi-default-dev zlib1g-dev fonts-mathjax-extras fonts-stix 141s libjs-mathjax-doc libstdc++-14-doc opencl-icd gfortran | fortran-compiler 141s The following NEW packages will be installed: 141s autopkgtest-satdep build-essential cpp cpp-14 cpp-14-aarch64-linux-gnu 141s cpp-aarch64-linux-gnu fonts-mathjax g++ g++-14 g++-14-aarch64-linux-gnu 141s g++-aarch64-linux-gnu gcc gcc-14 gcc-14-aarch64-linux-gnu 141s gcc-aarch64-linux-gnu gromacs gromacs-data libamd-comgr2 libamdhip64-5 141s libasan8 libblas3 libcc1-0 libdrm-amdgpu1 libevent-pthreads-2.1-7t64 141s libfabric1 libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 141s libfftw3-single3 libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev 141s libgromacs9 libhsa-runtime64-1 libhsakmt1 libhwasan0 libhwloc-plugins 141s libhwloc15 libibmad5 libibumad3 libisl23 libitm1 libjs-mathjax liblapack3 141s libllvm17t64 liblsan0 libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev 141s libnblib-gmx0 libopenmpi3t64 libpciaccess0 libpmix2t64 librdmacm1t64 141s libstdc++-14-dev libtsan2 libubsan1 libucx0 libxnvctrl0 mpi-default-bin 141s ocl-icd-libopencl1 openmpi-bin openmpi-common 141s 0 upgraded, 66 newly installed, 0 to remove and 0 not upgraded. 141s Need to get 202 MB/202 MB of archives. 141s After this operation, 886 MB of additional disk space will be used. 141s Get:1 /tmp/autopkgtest.E78kZs/1-autopkgtest-satdep.deb autopkgtest-satdep arm64 0 [768 B] 141s Get:2 http://ftpmaster.internal/ubuntu plucky/main arm64 libisl23 arm64 0.27-1 [676 kB] 142s Get:3 http://ftpmaster.internal/ubuntu plucky/main arm64 libmpc3 arm64 1.3.1-1build2 [56.8 kB] 142s Get:4 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp-14-aarch64-linux-gnu arm64 14.2.0-8ubuntu1 [10.6 MB] 142s Get:5 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp-14 arm64 14.2.0-8ubuntu1 [1028 B] 142s Get:6 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp-aarch64-linux-gnu arm64 4:14.1.0-2ubuntu1 [5452 B] 142s Get:7 http://ftpmaster.internal/ubuntu plucky/main arm64 cpp arm64 4:14.1.0-2ubuntu1 [22.5 kB] 142s Get:8 http://ftpmaster.internal/ubuntu plucky/main arm64 libcc1-0 arm64 14.2.0-8ubuntu1 [49.7 kB] 142s Get:9 http://ftpmaster.internal/ubuntu plucky/main arm64 libgomp1 arm64 14.2.0-8ubuntu1 [145 kB] 142s Get:10 http://ftpmaster.internal/ubuntu plucky/main arm64 libitm1 arm64 14.2.0-8ubuntu1 [27.8 kB] 142s Get:11 http://ftpmaster.internal/ubuntu plucky/main arm64 libasan8 arm64 14.2.0-8ubuntu1 [2893 kB] 142s Get:12 http://ftpmaster.internal/ubuntu plucky/main arm64 liblsan0 arm64 14.2.0-8ubuntu1 [1283 kB] 142s Get:13 http://ftpmaster.internal/ubuntu plucky/main arm64 libtsan2 arm64 14.2.0-8ubuntu1 [2686 kB] 143s Get:14 http://ftpmaster.internal/ubuntu plucky/main arm64 libubsan1 arm64 14.2.0-8ubuntu1 [1151 kB] 143s Get:15 http://ftpmaster.internal/ubuntu plucky/main arm64 libhwasan0 arm64 14.2.0-8ubuntu1 [1598 kB] 143s Get:16 http://ftpmaster.internal/ubuntu plucky/main arm64 libgcc-14-dev arm64 14.2.0-8ubuntu1 [2594 kB] 143s Get:17 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc-14-aarch64-linux-gnu arm64 14.2.0-8ubuntu1 [20.9 MB] 144s Get:18 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc-14 arm64 14.2.0-8ubuntu1 [518 kB] 144s Get:19 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc-aarch64-linux-gnu arm64 4:14.1.0-2ubuntu1 [1200 B] 144s Get:20 http://ftpmaster.internal/ubuntu plucky/main arm64 gcc arm64 4:14.1.0-2ubuntu1 [4994 B] 144s Get:21 http://ftpmaster.internal/ubuntu plucky/main arm64 libstdc++-14-dev arm64 14.2.0-8ubuntu1 [2476 kB] 144s Get:22 http://ftpmaster.internal/ubuntu plucky/main arm64 g++-14-aarch64-linux-gnu arm64 14.2.0-8ubuntu1 [12.1 MB] 144s Get:23 http://ftpmaster.internal/ubuntu plucky/main arm64 g++-14 arm64 14.2.0-8ubuntu1 [19.9 kB] 144s Get:24 http://ftpmaster.internal/ubuntu plucky/main arm64 g++-aarch64-linux-gnu arm64 4:14.1.0-2ubuntu1 [958 B] 144s Get:25 http://ftpmaster.internal/ubuntu plucky/main arm64 g++ arm64 4:14.1.0-2ubuntu1 [1080 B] 144s Get:26 http://ftpmaster.internal/ubuntu plucky/main arm64 build-essential arm64 12.10ubuntu1 [4932 B] 144s Get:27 http://ftpmaster.internal/ubuntu plucky/main arm64 fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 144s Get:28 http://ftpmaster.internal/ubuntu plucky/universe arm64 libllvm17t64 arm64 1:17.0.6-18 [24.9 MB] 145s Get:29 http://ftpmaster.internal/ubuntu plucky/universe arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3build2 [14.1 MB] 145s Get:30 http://ftpmaster.internal/ubuntu plucky/main arm64 libdrm-amdgpu1 arm64 2.4.123-1 [20.9 kB] 145s Get:31 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhsakmt1 arm64 5.7.0-1build1 [63.6 kB] 145s Get:32 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhsa-runtime64-1 arm64 5.7.1-2build1 [286 kB] 145s Get:33 http://ftpmaster.internal/ubuntu plucky/universe arm64 libamdhip64-5 arm64 5.7.1-5 [9704 kB] 146s Get:34 http://ftpmaster.internal/ubuntu plucky/main arm64 libblas3 arm64 3.12.0-3build2 [152 kB] 146s Get:35 http://ftpmaster.internal/ubuntu plucky/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10 [7922 B] 146s Get:36 http://ftpmaster.internal/ubuntu plucky/main arm64 librdmacm1t64 arm64 52.0-2ubuntu1 [71.5 kB] 146s Get:37 http://ftpmaster.internal/ubuntu plucky/universe arm64 libfabric1 arm64 1.17.0-3ubuntu1 [542 kB] 146s Get:38 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-double3 arm64 3.3.10-1ubuntu4 [392 kB] 146s Get:39 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-long3 arm64 3.3.10-1ubuntu4 [652 kB] 146s Get:40 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-single3 arm64 3.3.10-1ubuntu4 [604 kB] 146s Get:41 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-bin arm64 3.3.10-1ubuntu4 [33.5 kB] 146s Get:42 http://ftpmaster.internal/ubuntu plucky/main arm64 libfftw3-dev arm64 3.3.10-1ubuntu4 [1521 kB] 146s Get:43 http://ftpmaster.internal/ubuntu plucky/main arm64 libgfortran5 arm64 14.2.0-8ubuntu1 [438 kB] 146s Get:44 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhwloc15 arm64 2.11.2-1 [162 kB] 146s Get:45 http://ftpmaster.internal/ubuntu plucky/main arm64 liblapack3 arm64 3.12.0-3build2 [2293 kB] 146s Get:46 http://ftpmaster.internal/ubuntu plucky/universe arm64 libmuparser2v5 arm64 2.3.4-1 [125 kB] 146s Get:47 http://ftpmaster.internal/ubuntu plucky/universe arm64 libmunge2 arm64 0.5.15-4build1 [14.9 kB] 146s Get:48 http://ftpmaster.internal/ubuntu plucky/main arm64 libpciaccess0 arm64 0.17-3build1 [18.9 kB] 146s Get:49 http://ftpmaster.internal/ubuntu plucky/main arm64 libxnvctrl0 arm64 510.47.03-0ubuntu4 [12.4 kB] 146s Get:50 http://ftpmaster.internal/ubuntu plucky/universe arm64 ocl-icd-libopencl1 arm64 2.3.2-1build1 [37.6 kB] 146s Get:51 http://ftpmaster.internal/ubuntu plucky/universe arm64 libhwloc-plugins arm64 2.11.2-1 [15.8 kB] 146s Get:52 http://ftpmaster.internal/ubuntu plucky/universe arm64 libpmix2t64 arm64 5.0.3-2 [662 kB] 146s Get:53 http://ftpmaster.internal/ubuntu plucky/main arm64 libibumad3 arm64 52.0-2ubuntu1 [29.3 kB] 146s Get:54 http://ftpmaster.internal/ubuntu plucky/main arm64 libibmad5 arm64 52.0-2ubuntu1 [43.1 kB] 146s Get:55 http://ftpmaster.internal/ubuntu plucky/universe arm64 libucx0 arm64 1.17.0+ds-3build1 [1093 kB] 146s Get:56 http://ftpmaster.internal/ubuntu plucky-proposed/universe arm64 libopenmpi3t64 arm64 5.0.5-6 [2041 kB] 146s Get:57 http://ftpmaster.internal/ubuntu plucky/universe arm64 libgromacs9 arm64 2024.2-1 [32.3 MB] 148s Get:58 http://ftpmaster.internal/ubuntu plucky/universe arm64 libnblib-gmx0 arm64 2024.2-1 [307 kB] 148s Get:59 http://ftpmaster.internal/ubuntu plucky/universe arm64 libnblib-gmx-dev arm64 2024.2-1 [26.2 kB] 148s Get:60 http://ftpmaster.internal/ubuntu plucky-proposed/universe arm64 openmpi-common all 5.0.5-6 [95.6 kB] 148s Get:61 http://ftpmaster.internal/ubuntu plucky-proposed/universe arm64 openmpi-bin arm64 5.0.5-6 [172 kB] 148s Get:62 http://ftpmaster.internal/ubuntu plucky/main arm64 libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 148s Get:63 http://ftpmaster.internal/ubuntu plucky/universe arm64 gromacs-data all 2024.2-1 [41.0 MB] 150s Get:64 http://ftpmaster.internal/ubuntu plucky/universe arm64 gromacs arm64 2024.2-1 [58.4 kB] 150s Get:65 http://ftpmaster.internal/ubuntu plucky/universe arm64 libgromacs-dev arm64 2024.2-1 [168 kB] 150s Get:66 http://ftpmaster.internal/ubuntu plucky/universe arm64 mpi-default-bin arm64 1.17 [2296 B] 150s Fetched 202 MB in 9s (23.3 MB/s) 150s Selecting previously unselected package libisl23:arm64. 150s (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 ... 79971 files and directories currently installed.) 150s Preparing to unpack .../00-libisl23_0.27-1_arm64.deb ... 150s Unpacking libisl23:arm64 (0.27-1) ... 150s Selecting previously unselected package libmpc3:arm64. 150s Preparing to unpack .../01-libmpc3_1.3.1-1build2_arm64.deb ... 150s Unpacking libmpc3:arm64 (1.3.1-1build2) ... 150s Selecting previously unselected package cpp-14-aarch64-linux-gnu. 150s Preparing to unpack .../02-cpp-14-aarch64-linux-gnu_14.2.0-8ubuntu1_arm64.deb ... 150s Unpacking cpp-14-aarch64-linux-gnu (14.2.0-8ubuntu1) ... 151s Selecting previously unselected package cpp-14. 151s Preparing to unpack .../03-cpp-14_14.2.0-8ubuntu1_arm64.deb ... 151s Unpacking cpp-14 (14.2.0-8ubuntu1) ... 151s Selecting previously unselected package cpp-aarch64-linux-gnu. 151s Preparing to unpack .../04-cpp-aarch64-linux-gnu_4%3a14.1.0-2ubuntu1_arm64.deb ... 151s Unpacking cpp-aarch64-linux-gnu (4:14.1.0-2ubuntu1) ... 151s Selecting previously unselected package cpp. 151s Preparing to unpack .../05-cpp_4%3a14.1.0-2ubuntu1_arm64.deb ... 151s Unpacking cpp (4:14.1.0-2ubuntu1) ... 151s Selecting previously unselected package libcc1-0:arm64. 151s Preparing to unpack .../06-libcc1-0_14.2.0-8ubuntu1_arm64.deb ... 151s Unpacking libcc1-0:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package libgomp1:arm64. 152s Preparing to unpack .../07-libgomp1_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libgomp1:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package libitm1:arm64. 152s Preparing to unpack .../08-libitm1_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libitm1:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package libasan8:arm64. 152s Preparing to unpack .../09-libasan8_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libasan8:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package liblsan0:arm64. 152s Preparing to unpack .../10-liblsan0_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking liblsan0:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package libtsan2:arm64. 152s Preparing to unpack .../11-libtsan2_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libtsan2:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package libubsan1:arm64. 152s Preparing to unpack .../12-libubsan1_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libubsan1:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package libhwasan0:arm64. 152s Preparing to unpack .../13-libhwasan0_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libhwasan0:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package libgcc-14-dev:arm64. 152s Preparing to unpack .../14-libgcc-14-dev_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libgcc-14-dev:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package gcc-14-aarch64-linux-gnu. 152s Preparing to unpack .../15-gcc-14-aarch64-linux-gnu_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking gcc-14-aarch64-linux-gnu (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package gcc-14. 152s Preparing to unpack .../16-gcc-14_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking gcc-14 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package gcc-aarch64-linux-gnu. 152s Preparing to unpack .../17-gcc-aarch64-linux-gnu_4%3a14.1.0-2ubuntu1_arm64.deb ... 152s Unpacking gcc-aarch64-linux-gnu (4:14.1.0-2ubuntu1) ... 152s Selecting previously unselected package gcc. 152s Preparing to unpack .../18-gcc_4%3a14.1.0-2ubuntu1_arm64.deb ... 152s Unpacking gcc (4:14.1.0-2ubuntu1) ... 152s Selecting previously unselected package libstdc++-14-dev:arm64. 152s Preparing to unpack .../19-libstdc++-14-dev_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking libstdc++-14-dev:arm64 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package g++-14-aarch64-linux-gnu. 152s Preparing to unpack .../20-g++-14-aarch64-linux-gnu_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking g++-14-aarch64-linux-gnu (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package g++-14. 152s Preparing to unpack .../21-g++-14_14.2.0-8ubuntu1_arm64.deb ... 152s Unpacking g++-14 (14.2.0-8ubuntu1) ... 152s Selecting previously unselected package g++-aarch64-linux-gnu. 152s Preparing to unpack .../22-g++-aarch64-linux-gnu_4%3a14.1.0-2ubuntu1_arm64.deb ... 152s Unpacking g++-aarch64-linux-gnu (4:14.1.0-2ubuntu1) ... 152s Selecting previously unselected package g++. 152s Preparing to unpack .../23-g++_4%3a14.1.0-2ubuntu1_arm64.deb ... 152s Unpacking g++ (4:14.1.0-2ubuntu1) ... 152s Selecting previously unselected package build-essential. 152s Preparing to unpack .../24-build-essential_12.10ubuntu1_arm64.deb ... 152s Unpacking build-essential (12.10ubuntu1) ... 152s Selecting previously unselected package fonts-mathjax. 152s Preparing to unpack .../25-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 152s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 153s Selecting previously unselected package libllvm17t64:arm64. 153s Preparing to unpack .../26-libllvm17t64_1%3a17.0.6-18_arm64.deb ... 153s Unpacking libllvm17t64:arm64 (1:17.0.6-18) ... 154s Selecting previously unselected package libamd-comgr2:arm64. 154s Preparing to unpack .../27-libamd-comgr2_6.0+git20231212.4510c28+dfsg-3build2_arm64.deb ... 154s Unpacking libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3build2) ... 154s Selecting previously unselected package libdrm-amdgpu1:arm64. 154s Preparing to unpack .../28-libdrm-amdgpu1_2.4.123-1_arm64.deb ... 154s Unpacking libdrm-amdgpu1:arm64 (2.4.123-1) ... 154s Selecting previously unselected package libhsakmt1:arm64. 154s Preparing to unpack .../29-libhsakmt1_5.7.0-1build1_arm64.deb ... 154s Unpacking libhsakmt1:arm64 (5.7.0-1build1) ... 154s Selecting previously unselected package libhsa-runtime64-1. 154s Preparing to unpack .../30-libhsa-runtime64-1_5.7.1-2build1_arm64.deb ... 154s Unpacking libhsa-runtime64-1 (5.7.1-2build1) ... 154s Selecting previously unselected package libamdhip64-5. 154s Preparing to unpack .../31-libamdhip64-5_5.7.1-5_arm64.deb ... 154s Unpacking libamdhip64-5 (5.7.1-5) ... 154s Selecting previously unselected package libblas3:arm64. 154s Preparing to unpack .../32-libblas3_3.12.0-3build2_arm64.deb ... 154s Unpacking libblas3:arm64 (3.12.0-3build2) ... 154s Selecting previously unselected package libevent-pthreads-2.1-7t64:arm64. 154s Preparing to unpack .../33-libevent-pthreads-2.1-7t64_2.1.12-stable-10_arm64.deb ... 154s Unpacking libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... 154s Selecting previously unselected package librdmacm1t64:arm64. 154s Preparing to unpack .../34-librdmacm1t64_52.0-2ubuntu1_arm64.deb ... 154s Unpacking librdmacm1t64:arm64 (52.0-2ubuntu1) ... 154s Selecting previously unselected package libfabric1:arm64. 154s Preparing to unpack .../35-libfabric1_1.17.0-3ubuntu1_arm64.deb ... 154s Unpacking libfabric1:arm64 (1.17.0-3ubuntu1) ... 154s Selecting previously unselected package libfftw3-double3:arm64. 154s Preparing to unpack .../36-libfftw3-double3_3.3.10-1ubuntu4_arm64.deb ... 154s Unpacking libfftw3-double3:arm64 (3.3.10-1ubuntu4) ... 154s Selecting previously unselected package libfftw3-long3:arm64. 154s Preparing to unpack .../37-libfftw3-long3_3.3.10-1ubuntu4_arm64.deb ... 154s Unpacking libfftw3-long3:arm64 (3.3.10-1ubuntu4) ... 154s Selecting previously unselected package libfftw3-single3:arm64. 154s Preparing to unpack .../38-libfftw3-single3_3.3.10-1ubuntu4_arm64.deb ... 154s Unpacking libfftw3-single3:arm64 (3.3.10-1ubuntu4) ... 154s Selecting previously unselected package libfftw3-bin. 154s Preparing to unpack .../39-libfftw3-bin_3.3.10-1ubuntu4_arm64.deb ... 154s Unpacking libfftw3-bin (3.3.10-1ubuntu4) ... 154s Selecting previously unselected package libfftw3-dev:arm64. 154s Preparing to unpack .../40-libfftw3-dev_3.3.10-1ubuntu4_arm64.deb ... 154s Unpacking libfftw3-dev:arm64 (3.3.10-1ubuntu4) ... 154s Selecting previously unselected package libgfortran5:arm64. 154s Preparing to unpack .../41-libgfortran5_14.2.0-8ubuntu1_arm64.deb ... 154s Unpacking libgfortran5:arm64 (14.2.0-8ubuntu1) ... 154s Selecting previously unselected package libhwloc15:arm64. 154s Preparing to unpack .../42-libhwloc15_2.11.2-1_arm64.deb ... 154s Unpacking libhwloc15:arm64 (2.11.2-1) ... 154s Selecting previously unselected package liblapack3:arm64. 155s Preparing to unpack .../43-liblapack3_3.12.0-3build2_arm64.deb ... 155s Unpacking liblapack3:arm64 (3.12.0-3build2) ... 155s Selecting previously unselected package libmuparser2v5:arm64. 155s Preparing to unpack .../44-libmuparser2v5_2.3.4-1_arm64.deb ... 155s Unpacking libmuparser2v5:arm64 (2.3.4-1) ... 155s Selecting previously unselected package libmunge2:arm64. 155s Preparing to unpack .../45-libmunge2_0.5.15-4build1_arm64.deb ... 155s Unpacking libmunge2:arm64 (0.5.15-4build1) ... 155s Selecting previously unselected package libpciaccess0:arm64. 155s Preparing to unpack .../46-libpciaccess0_0.17-3build1_arm64.deb ... 155s Unpacking libpciaccess0:arm64 (0.17-3build1) ... 155s Selecting previously unselected package libxnvctrl0:arm64. 155s Preparing to unpack .../47-libxnvctrl0_510.47.03-0ubuntu4_arm64.deb ... 155s Unpacking libxnvctrl0:arm64 (510.47.03-0ubuntu4) ... 155s Selecting previously unselected package ocl-icd-libopencl1:arm64. 155s Preparing to unpack .../48-ocl-icd-libopencl1_2.3.2-1build1_arm64.deb ... 155s Unpacking ocl-icd-libopencl1:arm64 (2.3.2-1build1) ... 155s Selecting previously unselected package libhwloc-plugins:arm64. 155s Preparing to unpack .../49-libhwloc-plugins_2.11.2-1_arm64.deb ... 155s Unpacking libhwloc-plugins:arm64 (2.11.2-1) ... 155s Selecting previously unselected package libpmix2t64:arm64. 155s Preparing to unpack .../50-libpmix2t64_5.0.3-2_arm64.deb ... 155s Unpacking libpmix2t64:arm64 (5.0.3-2) ... 155s Selecting previously unselected package libibumad3:arm64. 155s Preparing to unpack .../51-libibumad3_52.0-2ubuntu1_arm64.deb ... 155s Unpacking libibumad3:arm64 (52.0-2ubuntu1) ... 155s Selecting previously unselected package libibmad5:arm64. 155s Preparing to unpack .../52-libibmad5_52.0-2ubuntu1_arm64.deb ... 155s Unpacking libibmad5:arm64 (52.0-2ubuntu1) ... 155s Selecting previously unselected package libucx0:arm64. 155s Preparing to unpack .../53-libucx0_1.17.0+ds-3build1_arm64.deb ... 155s Unpacking libucx0:arm64 (1.17.0+ds-3build1) ... 155s Selecting previously unselected package libopenmpi3t64:arm64. 155s Preparing to unpack .../54-libopenmpi3t64_5.0.5-6_arm64.deb ... 155s Unpacking libopenmpi3t64:arm64 (5.0.5-6) ... 155s Selecting previously unselected package libgromacs9:arm64. 155s Preparing to unpack .../55-libgromacs9_2024.2-1_arm64.deb ... 155s Unpacking libgromacs9:arm64 (2024.2-1) ... 156s Selecting previously unselected package libnblib-gmx0:arm64. 156s Preparing to unpack .../56-libnblib-gmx0_2024.2-1_arm64.deb ... 156s Unpacking libnblib-gmx0:arm64 (2024.2-1) ... 156s Selecting previously unselected package libnblib-gmx-dev. 156s Preparing to unpack .../57-libnblib-gmx-dev_2024.2-1_arm64.deb ... 156s Unpacking libnblib-gmx-dev (2024.2-1) ... 156s Selecting previously unselected package openmpi-common. 156s Preparing to unpack .../58-openmpi-common_5.0.5-6_all.deb ... 156s Unpacking openmpi-common (5.0.5-6) ... 156s Selecting previously unselected package openmpi-bin. 156s Preparing to unpack .../59-openmpi-bin_5.0.5-6_arm64.deb ... 156s Unpacking openmpi-bin (5.0.5-6) ... 156s Selecting previously unselected package libjs-mathjax. 156s Preparing to unpack .../60-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 156s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 157s Selecting previously unselected package gromacs-data. 157s Preparing to unpack .../61-gromacs-data_2024.2-1_all.deb ... 157s Unpacking gromacs-data (2024.2-1) ... 160s Selecting previously unselected package gromacs. 160s Preparing to unpack .../62-gromacs_2024.2-1_arm64.deb ... 160s Unpacking gromacs (2024.2-1) ... 160s Selecting previously unselected package libgromacs-dev. 160s Preparing to unpack .../63-libgromacs-dev_2024.2-1_arm64.deb ... 160s Unpacking libgromacs-dev (2024.2-1) ... 160s Selecting previously unselected package mpi-default-bin. 160s Preparing to unpack .../64-mpi-default-bin_1.17_arm64.deb ... 160s Unpacking mpi-default-bin (1.17) ... 160s Selecting previously unselected package autopkgtest-satdep. 160s Preparing to unpack .../65-1-autopkgtest-satdep.deb ... 160s Unpacking autopkgtest-satdep (0) ... 160s Setting up libpciaccess0:arm64 (0.17-3build1) ... 160s Setting up fonts-mathjax (2.7.9+dfsg-1) ... 160s Setting up libjs-mathjax (2.7.9+dfsg-1) ... 160s Setting up libevent-pthreads-2.1-7t64:arm64 (2.1.12-stable-10) ... 160s Setting up libibumad3:arm64 (52.0-2ubuntu1) ... 160s Setting up libibmad5:arm64 (52.0-2ubuntu1) ... 160s Setting up libgomp1:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libxnvctrl0:arm64 (510.47.03-0ubuntu4) ... 160s Setting up libblas3:arm64 (3.12.0-3build2) ... 160s update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/aarch64-linux-gnu/libblas.so.3 (libblas.so.3-aarch64-linux-gnu) in auto mode 160s Setting up libmunge2:arm64 (0.5.15-4build1) ... 160s Setting up libllvm17t64:arm64 (1:17.0.6-18) ... 160s Setting up libhwloc15:arm64 (2.11.2-1) ... 160s Setting up libmpc3:arm64 (1.3.1-1build2) ... 160s Setting up libfftw3-double3:arm64 (3.3.10-1ubuntu4) ... 160s Setting up libgfortran5:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libubsan1:arm64 (14.2.0-8ubuntu1) ... 160s Setting up ocl-icd-libopencl1:arm64 (2.3.2-1build1) ... 160s Setting up libhwasan0:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libasan8:arm64 (14.2.0-8ubuntu1) ... 160s Setting up openmpi-common (5.0.5-6) ... 160s Setting up librdmacm1t64:arm64 (52.0-2ubuntu1) ... 160s Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3build2) ... 160s Setting up libmuparser2v5:arm64 (2.3.4-1) ... 160s Setting up libtsan2:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libisl23:arm64 (0.27-1) ... 160s Setting up libcc1-0:arm64 (14.2.0-8ubuntu1) ... 160s Setting up liblsan0:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libitm1:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libdrm-amdgpu1:arm64 (2.4.123-1) ... 160s Setting up libfabric1:arm64 (1.17.0-3ubuntu1) ... 160s Setting up gromacs-data (2024.2-1) ... 160s Setting up liblapack3:arm64 (3.12.0-3build2) ... 160s update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode 160s Setting up libfftw3-single3:arm64 (3.3.10-1ubuntu4) ... 160s Setting up libfftw3-long3:arm64 (3.3.10-1ubuntu4) ... 160s Setting up libhwloc-plugins:arm64 (2.11.2-1) ... 160s Setting up libpmix2t64:arm64 (5.0.3-2) ... 160s Setting up cpp-14-aarch64-linux-gnu (14.2.0-8ubuntu1) ... 160s Setting up libgcc-14-dev:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libstdc++-14-dev:arm64 (14.2.0-8ubuntu1) ... 160s Setting up libhsakmt1:arm64 (5.7.0-1build1) ... 160s Setting up libfftw3-bin (3.3.10-1ubuntu4) ... 160s Setting up cpp-aarch64-linux-gnu (4:14.1.0-2ubuntu1) ... 160s Setting up cpp-14 (14.2.0-8ubuntu1) ... 160s Setting up libhsa-runtime64-1 (5.7.1-2build1) ... 160s Setting up cpp (4:14.1.0-2ubuntu1) ... 160s Setting up gcc-14-aarch64-linux-gnu (14.2.0-8ubuntu1) ... 160s Setting up libfftw3-dev:arm64 (3.3.10-1ubuntu4) ... 160s Setting up gcc-aarch64-linux-gnu (4:14.1.0-2ubuntu1) ... 160s Setting up g++-14-aarch64-linux-gnu (14.2.0-8ubuntu1) ... 160s Setting up gcc-14 (14.2.0-8ubuntu1) ... 160s Setting up libamdhip64-5 (5.7.1-5) ... 160s Setting up g++-aarch64-linux-gnu (4:14.1.0-2ubuntu1) ... 160s Setting up g++-14 (14.2.0-8ubuntu1) ... 160s Setting up libucx0:arm64 (1.17.0+ds-3build1) ... 160s Setting up gcc (4:14.1.0-2ubuntu1) ... 160s Setting up libopenmpi3t64:arm64 (5.0.5-6) ... 160s Setting up g++ (4:14.1.0-2ubuntu1) ... 160s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 160s Setting up build-essential (12.10ubuntu1) ... 160s Setting up openmpi-bin (5.0.5-6) ... 160s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 160s 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 160s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 160s Setting up libgromacs9:arm64 (2024.2-1) ... 160s Setting up mpi-default-bin (1.17) ... 160s Setting up gromacs (2024.2-1) ... 160s Setting up libgromacs-dev (2024.2-1) ... 160s Setting up libnblib-gmx0:arm64 (2024.2-1) ... 160s Setting up libnblib-gmx-dev (2024.2-1) ... 160s Setting up autopkgtest-satdep (0) ... 160s Processing triggers for man-db (2.13.0-1) ... 161s Processing triggers for libc-bin (2.40-1ubuntu3) ... 165s (Reading database ... 110298 files and directories currently installed.) 165s Removing autopkgtest-satdep (0) ... 166s autopkgtest [19:57:36]: test gromacs-regressiontests: [----------------------- 167s ======================================================== 167s Starting regression tests: basic build, single precision 167s ======================================================== 167s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 167s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 167s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 167s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 167s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 167s PASSED but check mdp file differences 167s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 167s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 167s gmx mdrun -notunepme >mdrun.out 2>&1 167s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 167s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 167s PASSED but check mdp file differences 167s Testing argon . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 167s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 167s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 168s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing butane . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 168s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 168s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 168s PASSED but check mdp file differences 168s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 168s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 168s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 223s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 223s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 223s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 223s PASSED but check mdp file differences 223s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 223s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 223s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 224s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 224s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 224s PASSED but check mdp file differences 224s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 224s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 224s gmx mdrun -notunepme >mdrun.out 2>&1 224s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 224s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 224s PASSED but check mdp file differences 224s Testing field . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 224s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 224s gmx mdrun -notunepme >mdrun.out 2>&1 224s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 224s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 224s PASSED but check mdp file differences 224s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 224s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 224s gmx mdrun -notunepme >mdrun.out 2>&1 248s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/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.E78kZs/build.jbQ/src/regressiontests/complex/nacl/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 nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 248s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 248s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 266s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 266s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/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 nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 266s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/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 283s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 283s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 283s PASSED but check mdp file differences 283s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 283s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 283s gmx mdrun -notunepme >mdrun.out 2>&1 301s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 301s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 301s PASSED but check mdp file differences 301s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 301s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 301s gmx mdrun -notunepme >mdrun.out 2>&1 315s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 315s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 315s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx mdrun -notunepme >mdrun.out 2>&1 379s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 379s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 379s PASSED but check mdp file differences 379s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 379s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 379s gmx mdrun -notunepme >mdrun.out 2>&1 444s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 444s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 444s PASSED but check mdp file differences 444s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s gmx mdrun -notunepme >mdrun.out 2>&1 462s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 462s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 462s PASSED but check mdp file differences 462s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 462s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 462s gmx mdrun -notunepme >mdrun.out 2>&1 481s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 481s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 481s PASSED but check mdp file differences 481s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 481s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/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 481s gmx mdrun -notunepme >mdrun.out 2>&1 481s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 481s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/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 481s PASSED but check mdp file differences 481s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 481s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 481s gmx mdrun -notunepme >mdrun.out 2>&1 499s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 499s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 499s PASSED but check mdp file differences 499s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 499s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 499s gmx mdrun -notunepme >mdrun.out 2>&1 518s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 518s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 518s PASSED but check mdp file differences 518s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 518s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 518s gmx mdrun -notunepme >mdrun.out 2>&1 536s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 536s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 536s PASSED but check mdp file differences 536s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 536s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 536s gmx mdrun -notunepme >mdrun.out 2>&1 536s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 536s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 536s PASSED but check mdp file differences 536s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 536s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 536s gmx mdrun -notunepme >mdrun.out 2>&1 536s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 536s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 536s PASSED but check mdp file differences 536s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 536s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 536s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 573s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 573s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 573s PASSED but check mdp file differences 573s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 573s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 573s gmx mdrun -notunepme >mdrun.out 2>&1 574s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 574s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 574s PASSED but check mdp file differences 574s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 574s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 574s gmx mdrun -notunepme >mdrun.out 2>&1 608s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 608s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 608s PASSED but check mdp file differences 608s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 608s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 608s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 677s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 677s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 677s PASSED but check mdp file differences 677s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 677s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 677s gmx mdrun -notunepme >mdrun.out 2>&1 677s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 677s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 677s PASSED but check mdp file differences 677s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 677s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 677s gmx mdrun -notunepme >mdrun.out 2>&1 695s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 695s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 696s PASSED but check mdp file differences 696s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 696s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 696s gmx mdrun -notunepme >mdrun.out 2>&1 696s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 696s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 696s PASSED but check mdp file differences 696s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 696s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 696s gmx mdrun -notunepme >mdrun.out 2>&1 696s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 696s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 696s PASSED but check mdp file differences 696s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 696s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 696s gmx mdrun -notunepme >mdrun.out 2>&1 719s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 719s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 719s PASSED but check mdp file differences 719s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 719s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 719s gmx mdrun -notunepme >mdrun.out 2>&1 743s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 743s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 743s PASSED but check mdp file differences 743s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 743s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 743s gmx mdrun -notunepme >mdrun.out 2>&1 766s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 766s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 766s PASSED but check mdp file differences 766s Testing reb . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 767s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 767s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 767s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 767s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 767s PASSED but check mdp file differences 767s Testing sw . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 767s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 767s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 779s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 779s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 779s PASSED but check mdp file differences 779s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 779s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 779s gmx mdrun -notunepme >mdrun.out 2>&1 822s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 822s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 822s PASSED but check mdp file differences 822s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 822s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 822s gmx mdrun -notunepme >mdrun.out 2>&1 865s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 865s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 865s PASSED but check mdp file differences 865s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 866s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 866s gmx mdrun -notunepme >mdrun.out 2>&1 915s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 915s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 915s PASSED but check mdp file differences 915s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 915s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 915s gmx mdrun -notunepme >mdrun.out 2>&1 917s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 917s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 917s PASSED but check mdp file differences 917s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 917s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 917s gmx mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 918s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 918s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 918s PASSED but check mdp file differences 918s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 918s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 918s gmx mdrun -notunepme >mdrun.out 2>&1 934s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 934s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 934s PASSED but check mdp file differences 934s Testing urea . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 934s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 934s gmx mdrun -notunepme >mdrun.out 2>&1 934s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 934s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 934s PASSED but check mdp file differences 934s Testing walls . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 934s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 934s gmx mdrun -notunepme >mdrun.out 2>&1 949s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 949s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 949s PASSED but check mdp file differences 949s All 48 complex tests PASSED 949s Testing coulandvdwsequential_coul . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 950s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 950s gmx mdrun -notunepme >mdrun.out 2>&1 966s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 966s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 966s PASSED but check mdp file differences 966s Testing coulandvdwsequential_vdw . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 966s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 966s gmx mdrun -notunepme >mdrun.out 2>&1 983s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 983s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 983s PASSED but check mdp file differences 983s Testing coulandvdwtogether . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 983s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 983s gmx mdrun -notunepme >mdrun.out 2>&1 1000s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1000s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1000s PASSED but check mdp file differences 1000s Testing expanded . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 1000s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1000s gmx mdrun -notunepme >mdrun.out 2>&1 1012s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1012s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1012s PASSED but check mdp file differences 1012s Testing relative . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 1012s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1012s gmx mdrun -notunepme >mdrun.out 2>&1 1047s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1047s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1047s PASSED but check mdp file differences 1047s Testing relative-position-restraints . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1047s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1047s gmx mdrun -notunepme >mdrun.out 2>&1 1082s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1082s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1083s PASSED but check mdp file differences 1083s Testing restraints . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1083s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1083s gmx mdrun -notunepme >mdrun.out 2>&1 1169s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1169s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1169s PASSED but check mdp file differences 1169s Testing simtemp . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 1169s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1169s gmx mdrun -notunepme >mdrun.out 2>&1 1181s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1181s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1181s PASSED but check mdp file differences 1181s Testing transformAtoB . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 1181s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1181s gmx mdrun -notunepme >mdrun.out 2>&1 1194s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1194s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1194s PASSED but check mdp file differences 1194s Testing vdwalone . . . gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 1194s gmx check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1194s gmx mdrun -notunepme >mdrun.out 2>&1 1206s gmx check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1206s gmx check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1206s PASSED but check mdp file differences 1206s All 10 freeenergy tests PASSED 1206s All 0 extra tests PASSED 1206s Testing linfix . . . 1206s gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1206s echo 0 | gmx make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 1206s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 1206s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 1206s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 1206s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 1206s Testing linacc . . . 1206s gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1206s echo 0 | gmx make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 1206s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 1206s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 1206s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 1206s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 1206s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 1206s Testing radfix . . . 1206s gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1206s echo 0 | gmx make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/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 1206s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 1206s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 1206s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 1206s Comparing column #4 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 1206s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 1206s Testing radacc . . . 1206s gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1206s echo 0 | gmx make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 1207s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 1207s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 1207s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 1207s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 1207s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 1207s Testing radcon . . . 1207s gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 1207s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 1207s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 1207s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 1207s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 1207s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 1207s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 1207s Testing flooding1 . . . 1207s gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 1207s gmx mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 1217s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 1217s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1217s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1217s Comparing column #3 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1217s Comparing column #4 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1217s Comparing column #5 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1217s Comparing column #6 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1217s Comparing column #7 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1217s Testing flooding2 . . . 1217s gmx grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 1217s gmx mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 1227s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 1227s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 1227s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1227s Comparing column #3 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1227s Comparing column #4 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1227s Comparing column #5 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1227s Comparing column #6 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1227s Comparing column #7 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1227s All 7 essential dynamics tests PASSED 1227s ======================================================== 1227s Starting regression tests: basic build, double precision 1227s ======================================================== 1227s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 1227s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1227s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1227s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1227s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1227s PASSED but check mdp file differences 1227s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 1227s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1227s gmx_d mdrun -notunepme >mdrun.out 2>&1 1228s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1228s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1228s PASSED but check mdp file differences 1228s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1228s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1228s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1228s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1228s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1228s PASSED but check mdp file differences 1228s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 1228s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1228s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 1228s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1228s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1228s PASSED but check mdp file differences 1228s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 1228s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1228s gmx_d mdrun -notunepme >mdrun.out 2>&1 1228s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1228s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1228s PASSED but check mdp file differences 1228s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 1228s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1228s gmx_d mdrun -notunepme >mdrun.out 2>&1 1228s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1228s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1228s PASSED but check mdp file differences 1228s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 1228s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1228s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1228s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1228s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1228s PASSED but check mdp file differences 1228s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 1228s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1228s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 1243s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1243s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1243s PASSED but check mdp file differences 1243s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 1243s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1243s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1243s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1244s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1244s PASSED but check mdp file differences 1244s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1244s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1244s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 1244s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1244s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1244s PASSED but check mdp file differences 1244s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 1244s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1244s gmx_d mdrun -notunepme >mdrun.out 2>&1 1244s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1244s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1244s PASSED but check mdp file differences 1244s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 1244s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1244s gmx_d mdrun -notunepme >mdrun.out 2>&1 1244s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1244s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1244s PASSED but check mdp file differences 1244s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 1245s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1245s gmx_d mdrun -notunepme >mdrun.out 2>&1 1245s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1245s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1245s PASSED but check mdp file differences 1245s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 1245s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1245s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1245s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1245s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1245s PASSED but check mdp file differences 1245s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 1245s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1245s gmx_d mdrun -notunepme >mdrun.out 2>&1 1245s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1245s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1245s PASSED but check mdp file differences 1245s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 1245s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1245s gmx_d mdrun -notunepme >mdrun.out 2>&1 1245s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1245s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1245s PASSED but check mdp file differences 1245s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1245s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1245s gmx_d mdrun -notunepme >mdrun.out 2>&1 1246s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1246s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1246s PASSED but check mdp file differences 1246s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 1246s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1246s gmx_d mdrun -notunepme >mdrun.out 2>&1 1246s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1246s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1246s PASSED but check mdp file differences 1246s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1246s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1246s gmx_d mdrun -notunepme >mdrun.out 2>&1 1247s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1247s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1247s PASSED but check mdp file differences 1247s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1247s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1247s gmx_d mdrun -notunepme >mdrun.out 2>&1 1247s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1247s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1247s PASSED but check mdp file differences 1247s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1247s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1247s gmx_d mdrun -notunepme >mdrun.out 2>&1 1247s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1247s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1247s PASSED but check mdp file differences 1247s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1247s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/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 1247s gmx_d mdrun -notunepme >mdrun.out 2>&1 1247s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1247s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/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 1247s PASSED but check mdp file differences 1247s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 1247s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1247s gmx_d mdrun -notunepme >mdrun.out 2>&1 1247s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1247s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1247s PASSED but check mdp file differences 1247s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 1248s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1248s gmx_d mdrun -notunepme >mdrun.out 2>&1 1248s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1248s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1248s PASSED but check mdp file differences 1248s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 1248s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1248s gmx_d mdrun -notunepme >mdrun.out 2>&1 1248s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1248s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1248s PASSED but check mdp file differences 1248s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 1248s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1248s gmx_d mdrun -notunepme >mdrun.out 2>&1 1248s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1248s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1248s PASSED but check mdp file differences 1248s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 1248s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1248s gmx_d mdrun -notunepme >mdrun.out 2>&1 1248s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1248s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1248s PASSED but check mdp file differences 1248s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 1248s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1248s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 1254s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1254s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1254s PASSED but check mdp file differences 1254s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 1255s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1255s gmx_d mdrun -notunepme >mdrun.out 2>&1 1255s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1255s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1255s PASSED but check mdp file differences 1255s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 1255s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1255s gmx_d mdrun -notunepme >mdrun.out 2>&1 1255s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1255s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1255s PASSED but check mdp file differences 1255s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1255s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1255s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 1259s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1259s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1259s PASSED but check mdp file differences 1259s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1259s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1259s gmx_d mdrun -notunepme >mdrun.out 2>&1 1259s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1259s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1259s PASSED but check mdp file differences 1259s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 1259s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1259s gmx_d mdrun -notunepme >mdrun.out 2>&1 1259s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1259s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1259s PASSED but check mdp file differences 1259s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 1260s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1260s gmx_d mdrun -notunepme >mdrun.out 2>&1 1260s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1260s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1260s PASSED but check mdp file differences 1260s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 1260s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1260s gmx_d mdrun -notunepme >mdrun.out 2>&1 1260s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1260s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1260s PASSED but check mdp file differences 1260s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 1260s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1260s gmx_d mdrun -notunepme >mdrun.out 2>&1 1260s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1260s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1260s PASSED but check mdp file differences 1260s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 1260s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1260s gmx_d mdrun -notunepme >mdrun.out 2>&1 1260s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1260s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1260s PASSED but check mdp file differences 1260s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 1260s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1260s gmx_d mdrun -notunepme >mdrun.out 2>&1 1260s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1260s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1260s PASSED but check mdp file differences 1260s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 1260s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1260s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 1260s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1260s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1260s PASSED but check mdp file differences 1260s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 1260s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1260s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 1261s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1261s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1261s PASSED but check mdp file differences 1261s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 1261s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1261s gmx_d mdrun -notunepme >mdrun.out 2>&1 1262s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1262s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1262s PASSED but check mdp file differences 1262s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 1262s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1262s gmx_d mdrun -notunepme >mdrun.out 2>&1 1262s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1262s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1262s PASSED but check mdp file differences 1262s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 1263s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1263s gmx_d mdrun -notunepme >mdrun.out 2>&1 1263s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1263s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1263s PASSED but check mdp file differences 1263s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 1263s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1263s gmx_d mdrun -notunepme >mdrun.out 2>&1 1263s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1263s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1263s PASSED but check mdp file differences 1263s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 1264s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1264s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 1264s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1264s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1264s PASSED but check mdp file differences 1264s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 1264s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1264s gmx_d mdrun -notunepme >mdrun.out 2>&1 1264s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1264s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1264s PASSED but check mdp file differences 1264s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 1264s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1264s gmx_d mdrun -notunepme >mdrun.out 2>&1 1264s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1264s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1264s PASSED but check mdp file differences 1264s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 1264s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1264s gmx_d mdrun -notunepme >mdrun.out 2>&1 1264s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1265s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1265s PASSED but check mdp file differences 1265s All 48 complex tests PASSED 1265s Testing coulandvdwsequential_coul . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 1265s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1265s gmx_d mdrun -notunepme >mdrun.out 2>&1 1265s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1265s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1265s PASSED but check mdp file differences 1265s Testing coulandvdwsequential_vdw . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 1266s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1266s gmx_d mdrun -notunepme >mdrun.out 2>&1 1266s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1266s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1266s PASSED but check mdp file differences 1266s Testing coulandvdwtogether . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 1266s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1266s gmx_d mdrun -notunepme >mdrun.out 2>&1 1267s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1267s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1267s PASSED but check mdp file differences 1267s Testing expanded . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 1267s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1267s gmx_d mdrun -notunepme >mdrun.out 2>&1 1268s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1268s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1268s PASSED but check mdp file differences 1268s Testing relative . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 1268s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1268s gmx_d mdrun -notunepme >mdrun.out 2>&1 1268s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1268s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1269s PASSED but check mdp file differences 1269s Testing relative-position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1269s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1269s gmx_d mdrun -notunepme >mdrun.out 2>&1 1269s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/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 1269s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1270s PASSED but check mdp file differences 1270s Testing restraints . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1270s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1270s gmx_d mdrun -notunepme >mdrun.out 2>&1 1282s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1282s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1283s PASSED but check mdp file differences 1283s Testing simtemp . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 1283s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1283s gmx_d mdrun -notunepme >mdrun.out 2>&1 1283s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1283s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1283s PASSED but check mdp file differences 1283s Testing transformAtoB . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 1283s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1283s gmx_d mdrun -notunepme >mdrun.out 2>&1 1283s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1283s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1283s PASSED but check mdp file differences 1283s Testing vdwalone . . . gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 1283s gmx_d check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1283s gmx_d mdrun -notunepme >mdrun.out 2>&1 1284s gmx_d check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1284s gmx_d check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1284s PASSED but check mdp file differences 1284s All 10 freeenergy tests PASSED 1284s All 0 extra tests PASSED 1284s Testing linfix . . . 1284s gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1284s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 1284s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 1284s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 1284s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 1284s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 1284s Testing linacc . . . 1284s gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1284s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 1284s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 1284s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 1284s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 1284s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 1284s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 1284s Testing radfix . . . 1284s gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1284s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/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 1284s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 1284s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 1284s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 1284s Comparing column #4 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 1284s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 1284s Testing radacc . . . 1284s gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1284s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 1284s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 1284s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 1284s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 1284s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 1284s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 1284s Testing radcon . . . 1284s gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 1284s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 1284s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 1284s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 1284s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 1284s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 1284s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 1284s Testing flooding1 . . . 1284s gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 1284s gmx_d mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 1285s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 1285s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1285s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1285s Comparing column #3 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1285s Comparing column #4 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1285s Comparing column #5 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 1285s Comparing column #6 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1285s Comparing column #7 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 1285s Testing flooding2 . . . 1285s gmx_d grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 1285s gmx_d mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 1285s Comparing column #0 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 1285s Comparing column #1 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 1285s Comparing column #2 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1285s Comparing column #3 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1285s Comparing column #4 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1285s Comparing column #5 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 1285s Comparing column #6 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 1285s Comparing column #7 of .xvg files /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 1285s All 7 essential dynamics tests PASSED 1285s ============================================================= 1285s Starting regression tests: MPI build, single precision (only) 1285s ============================================================= 1285s Will test on 4 MPI ranks (if possible) 1286s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 1286s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1286s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1286s 1286s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 1286s FAILED. Check mdrun.out, md.log file(s) in acetonitrilRF for acetonitrilRF 1286s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 1286s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1286s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1286s 1286s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1286s FAILED. Check mdrun.out, md.log file(s) in aminoacids for aminoacids 1286s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1287s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1287s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1287s 1287s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 1287s FAILED. Check mdrun.out, md.log file(s) in argon for argon 1287s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 1287s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1287s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 1287s 1287s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1' was -1 1287s FAILED. Check mdrun.out, md.log file(s) in awh_multibias for awh_multibias 1287s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 1287s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1287s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1287s 1287s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1287s FAILED. Check mdrun.out, md.log file(s) in awh_multidim for awh_multidim 1287s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 1287s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1287s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1287s 1287s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1287s FAILED. Check mdrun.out, md.log file(s) in butane for butane 1287s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 1287s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1287s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1287s 1287s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 1287s FAILED. Check mdrun.out, md.log file(s) in cbt for cbt 1287s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 1287s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1287s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1287s 1287s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1287s FAILED. Check mdrun.out, md.log file(s) in dd121 for dd121 1287s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 1288s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1288s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1288s 1288s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 1288s FAILED. Check mdrun.out, md.log file(s) in dec+water for dec+water 1288s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1288s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1288s mpirun -np 1 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1288s gmx_mpi check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1288s gmx_mpi check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1288s PASSED but check mdp file differences 1288s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 1288s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1289s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1289s 1289s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1289s FAILED. Check mdrun.out, md.log file(s) in ethyleenglycol for ethyleenglycol 1289s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 1289s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1289s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1289s 1289s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1289s FAILED. Check mdrun.out, md.log file(s) in field for field 1289s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 1289s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1289s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1289s 1289s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1289s FAILED. Check mdrun.out, md.log file(s) in nacl for nacl 1289s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 1289s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1289s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1290s 1290s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 1290s FAILED. Check mdrun.out, md.log file(s) in nbnxn-energy-groups for nbnxn-energy-groups 1290s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 1290s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1290s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1290s 1290s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1290s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy for nbnxn-free-energy 1290s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 1290s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1290s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1290s 1290s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1290s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy-vv for nbnxn-free-energy-vv 1290s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1290s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1290s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1290s 1290s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1290s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-geometric for nbnxn-ljpme-geometric 1290s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 1290s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1290s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1290s 1290s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1290s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB for nbnxn-ljpme-LB 1290s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 1290s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1290s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1290s 1290s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1290s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB-geometric for nbnxn-ljpme-LB-geometric 1290s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1291s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1291s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1291s 1291s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1291s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-force-switch for nbnxn-vdw-force-switch 1291s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 1291s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1291s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1291s 1291s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1291s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch for nbnxn-vdw-potential-switch 1291s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 1291s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/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 1291s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1291s 1291s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1291s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch-argon for nbnxn-vdw-potential-switch-argon 1291s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 1291s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1291s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1291s 1291s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1291s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme for nbnxn_pme 1291s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 1291s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1291s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1291s 1291s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1291s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order5 for nbnxn_pme_order5 1291s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 1291s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1292s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1292s 1292s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1292s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order6 for nbnxn_pme_order6 1292s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 1292s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1292s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1292s 1292s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1292s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rf for nbnxn_rf 1292s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 1292s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1292s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1292s 1292s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1292s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rzero for nbnxn_rzero 1292s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 1292s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1292s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1292s 1292s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1292s FAILED. Check mdrun.out, md.log file(s) in nbnxn_vsite for nbnxn_vsite 1292s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 1292s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1292s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1292s 1292s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1292s FAILED. Check mdrun.out, md.log file(s) in nst_mismatch for nst_mismatch 1292s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 1293s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1293s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1293s 1293s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1293s FAILED. Check mdrun.out, md.log file(s) in octahedron for octahedron 1293s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1293s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1293s mpirun -np 1 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1362s gmx_mpi check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1362s gmx_mpi check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1362s PASSED but check mdp file differences 1362s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1362s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1362s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1362s 1362s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1362s FAILED. Check mdrun.out, md.log file(s) in position-restraints for position-restraints 1362s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 1362s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1362s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1362s 1362s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1362s FAILED. Check mdrun.out, md.log file(s) in pr-vrescale for pr-vrescale 1362s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 1363s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1363s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1363s 1363s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1363s FAILED. Check mdrun.out, md.log file(s) in pull_constraint for pull_constraint 1363s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 1363s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1363s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1363s 1363s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1363s FAILED. Check mdrun.out, md.log file(s) in pull_cylinder for pull_cylinder 1363s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 1363s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1363s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1363s 1363s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1363s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle for pull_geometry_angle 1363s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 1363s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1363s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1363s 1363s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1363s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle-axis for pull_geometry_angle-axis 1363s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 1363s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1364s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1364s 1364s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1364s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_dihedral for pull_geometry_dihedral 1364s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 1364s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1364s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 1364s 1364s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 1364s FAILED. Check mdrun.out, md.log file(s) in reb for reb 1364s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 1364s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1364s mpirun -np 1 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1377s gmx_mpi check -e /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 1377s gmx_mpi check -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 1377s PASSED but check mdp file differences 1377s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 1377s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1377s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1377s 1377s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1377s FAILED. Check mdrun.out, md.log file(s) in swap_x for swap_x 1377s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 1378s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1378s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1378s 1378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1378s FAILED. Check mdrun.out, md.log file(s) in swap_y for swap_y 1378s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 1378s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1378s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1378s 1378s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1378s FAILED. Check mdrun.out, md.log file(s) in swap_z for swap_z 1378s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 1379s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1379s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1379s 1379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1379s FAILED. Check mdrun.out, md.log file(s) in tip4p for tip4p 1379s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 1379s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1379s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 1379s 1379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1' was -1 1379s FAILED. Check mdrun.out, md.log file(s) in tip4p_continue for tip4p_continue 1379s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 1379s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1379s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1379s 1379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1379s FAILED. Check mdrun.out, md.log file(s) in tip4pflex for tip4pflex 1379s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 1379s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1379s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1379s 1379s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1379s FAILED. Check mdrun.out, md.log file(s) in urea for urea 1379s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 1380s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1380s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1380s 1380s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1380s FAILED. Check mdrun.out, md.log file(s) in walls for walls 1380s 45 out of 48 complex tests FAILED 1380s Testing coulandvdwsequential_coul . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 1380s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1380s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1380s 1380s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1380s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_coul for coulandvdwsequential_coul 1380s Testing coulandvdwsequential_vdw . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 1381s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1381s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1381s 1381s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1381s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_vdw for coulandvdwsequential_vdw 1381s Testing coulandvdwtogether . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 1381s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1381s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1381s 1381s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1381s FAILED. Check mdrun.out, md.log file(s) in coulandvdwtogether for coulandvdwtogether 1381s Testing expanded . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 1381s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1381s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1381s 1381s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1381s FAILED. Check mdrun.out, md.log file(s) in expanded for expanded 1381s Testing relative . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 1381s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1381s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1381s 1381s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1381s FAILED. Check mdrun.out, md.log file(s) in relative for relative 1381s Testing relative-position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1382s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1382s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1382s 1382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1382s FAILED. Check mdrun.out, md.log file(s) in relative-position-restraints for relative-position-restraints 1382s Testing restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 1382s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1382s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1382s 1382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1382s FAILED. Check mdrun.out, md.log file(s) in restraints for restraints 1382s Testing simtemp . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 1382s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1382s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1382s 1382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1382s FAILED. Check mdrun.out, md.log file(s) in simtemp for simtemp 1382s Testing transformAtoB . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 1382s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1382s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1382s 1382s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1382s FAILED. Check mdrun.out, md.log file(s) in transformAtoB for transformAtoB 1382s Testing vdwalone . . . gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 1382s gmx_mpi check -s1 /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 1382s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1 1383s 1383s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 1383s FAILED. Check mdrun.out, md.log file(s) in vdwalone for vdwalone 1383s 10 out of 10 freeenergy tests FAILED 1383s All 0 extra tests PASSED 1383s Testing linfix . . . 1383s gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1383s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 1383s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 1383s 1383s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1' was -1 1383s Testing linacc . . . 1383s gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1383s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 1383s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 1383s 1383s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1' was -1 1383s Testing radfix . . . 1383s gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 1383s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/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 1383s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 1383s 1383s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1' was -1 1383s Testing radacc . . . 1383s gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 1383s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 1383s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 1383s 1383s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1' was -1 1383s Testing radcon . . . 1383s gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 1383s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 1383s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 1383s 1383s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1' was -1 1383s Testing flooding1 . . . 1383s gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 1384s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 1384s 1384s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1' was -1 1384s Testing flooding2 . . . 1384s gmx_mpi grompp -f /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 1384s mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 1384s 1384s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.E78kZs/build.jbQ/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1' was -1 1384s Essential dynamics tests FAILED with 7 errors! 1384s autopkgtest [20:17:54]: test gromacs-regressiontests: -----------------------] 1385s gromacs-regressiontests FAIL non-zero exit status 1 1385s autopkgtest [20:17:55]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 1385s autopkgtest [20:17:55]: @@@@@@@@@@@@@@@@@@@@ summary 1385s gromacs-regressiontests FAIL non-zero exit status 1 1397s nova [W] Skipping flock in bos03-arm64 1397s Creating nova instance adt-plucky-arm64-gromacs-20241116-195449-juju-7f2275-prod-proposed-migration-environment-15-397f7139-4295-4da8-95ae-37634be5ca7e from image adt/ubuntu-plucky-arm64-server-20241116.img (UUID b01758a6-21f8-4caa-9834-062ee0544e32)...