[gmx-users] 2018 installation make check errors, probably CUDA related
Tresadern, Gary [RNDBE]
gtresade at its.jnj.com
Fri Mar 23 17:04:37 CET 2018
Thanks for the reply.
I have provided a tarball of the Testing folder: https://drive.google.com/file/d/1ezWMHPZFwW4WD9zHa563XVrBvNc-OTRP/view?usp=sharing
Is there anything else I can provide?
Thanks
Gary
-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Szilárd Páll
Sent: Friday, 23 March 2018 11:45
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [EXTERNAL] Re: [gmx-users] 2018 installation make check errors, probably CUDA related
Hi,
Please provide the output of unit tests with 2018.1, it has improved the error reporting targeting exactly these types of errors.
Cheers,
--
Szilárd
On Thu, Mar 22, 2018 at 5:44 PM, Tresadern, Gary [RNDBE] <gtresade at its.jnj.com> wrote:
> Hi Mark,
> Thanks, I tried 2018-1 and was hopeful it would solve the problem as I'd seen comment of funny findGpus() behavior whilst googling to fix this. Unfortunately I still have the same problem. I've spent the day trying to pin down the nvidia-smi settings, I have the persistence on and the daemon running to restart at reboot, I have clocked up the K40 to 3004,875, but these are minor issues. Something more fundamental is must be going wrong. I'm out of ideas at this point, I must have tried the rebuild 3 dozen times in last ten days or so.
>
> Cheers
> Gary
>
>
> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se
> [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf
> Of Mark Abraham
> Sent: Wednesday, 21 March 2018 17:03
> To: gmx-users at gromacs.org
> Cc: gromacs.org_gmx-users at maillist.sys.kth.se
> Subject: [EXTERNAL] Re: [gmx-users] 2018 installation make check
> errors, probably CUDA related
>
> Hi,
>
> Please try 2018.1 and let us know, as some issues that look like these have been resolved.
>
> Thanks,
>
> Mark
>
>
>
>>> Cheers
>>> Gary
>>>
>>>
>>>
>>>
>>> wrndbeberhel13 :~> nvidia-smi
>>> Wed Mar 21 16:25:23 2018
>>>
>>> +-----------------------------------------------------------------------------+
>>> | NVIDIA-SMI 390.42 Driver Version: 390.42
>>> |
>>>
>>> |-------------------------------+----------------------+----------------------+
>>> | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
>>> ECC |
>>> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util
>>> Compute M. |
>>>
>>> |===============================+======================+======================|
>>> | 0 Quadro K4200 On | 00000000:03:00.0 On |
>>> N/A |
>>> | 30% 36C P8 15W / 110W | 71MiB / 4036MiB | 0% E.
>>> Process |
>>>
>>> +-------------------------------+----------------------+----------------------+
>>> | 1 Tesla K40c On | 00000000:81:00.0 Off |
>>> 2 |
>>> | 23% 40C P8 22W / 235W | 0MiB / 11441MiB | 0% E.
>>> Process |
>>>
>>> +-------------------------------+----------------------+----------------------+
>>>
>>>
>>> +-----------------------------------------------------------------------------+
>>> | Processes: GPU
>>> Memory |
>>> | GPU PID Type Process name Usage
>>> |
>>>
>>> |=============================================================================|
>>> | 0 7891 G /usr/bin/Xorg
>>> 69MiB |
>>>
>>> +-----------------------------------------------------------------------------+
>>>
>>> -----Original Message-----
>>> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:
>>> gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of
>>> Tresadern, Gary [RNDBE]
>>> Sent: Saturday, 17 March 2018 16:46
>>> To: 'gromacs.org_gmx-users at maillist.sys.kth.se' <
>>> gromacs.org_gmx-users at maillist.sys.kth.se>
>>> Subject: [EXTERNAL] Re: [gmx-users] 2018 installation make check
>>> errors, probably CUDA related
>>>
>>> Hi,
>>>
>>> I am unable to pass the make check tests for a 2018 build. I had a
>>> working build earlier in the week, but since we updated the cuda
>>> toolkit and nvidia driver it now fails.
>>> Below are some details of the installation procedure.
>>> I tried manually setting variables such as CUDA_VISIBLE_DEVICES but
>>> that also didn't help.
>>> I am running out of ideas, if you have any tips please let me know.
>>>
>>> Thanks
>>> Gary
>>>
>>> bash-4.1$ su softinst
>>> bash-4.1$ scl enable devtoolset-2 bash bash-4.1$ which cmake
>>> /usr/local/bin/cmake bash-4.1$ cmake --version cmake version 3.6.2
>>> CMake suite maintained and supported by Kitware (kitware.com/cmake).
>>> bash-4.1$ gcc --version
>>> gcc (GCC) 4.8.2 20140120 (Red Hat 4.8.2-15) Copyright (C) 2013 Free
>>> Software Foundation, Inc.
>>> This is free software; see the source for copying conditions. There
>>> is NO warranty; not even for MERCHANTABILITY or FITNESS FOR A
>>> PARTICULAR PURPOSE.
>>> bash-4.1$ ls /usr/local/cuda-9.1/
>>> bin/ extras/ lib64/ libnvvp/
>>> nsightee_plugins/ nvvm/ samples/ src/
>>> tools/ doc/ include/ libnsight/
>>> LICENSE nvml/ README share/
>>> targets/ version.txt bash-4.1$ ls /usr/local/cuda-9.1/bin/
>>> bin2c cuda-gdb
>>> fatbinary nvcc.profile nvvp
>>> computeprof cuda-gdbserver
>>> gpu-library-advisor nvdisasm ptxas
>>> crt/ cuda-install-samples-9.1.sh
>>> nsight nvlink cudafe
>>> cuda-memcheck nsight_ee_plugins_manage.sh
>>> nvprof
>>> cudafe++ cuobjdump
>>> nvcc
>>> cudafe++nvprune
>>> bash-4.1$ export PATH=$PATH:/usr/local/bin/ bash-4.1$ export
>>> CUDA_HOME=/usr/local/cuda-9.1/ bash-4.1$ export
>>> PATH=$PATH:/usr/lib64/mpich/bin/ bash-4.1$ export
>>> LD_LIBRARY_PATH="/usr/local/cuda-9.1/lib64/:${LD_LIBRARY_PATH}"
>>> bash-4.1$ export
>>> LD_LIBRARY_PATH="/usr/local/cuda-9.1/lib64:/usr/local/cuda-9.1/targets/x86_64-linux/lib/:${LD_LIBRARY_PATH}"
>>> bash-4.1$ export
>>> LD_LIBRARY_PATH=/usr/lib64/openmpi-1.10/lib/openmpi/:$LD_LIBRARY_PAT
>>> H
>>> bash-4.1$ export
>>> MPI_CXX_INCLUDE_PATH=/usr/include/openmpi-1.10-x86_64/openmpi/ompi/m
>>> p i/cxx/ bash-4.1$ export PATH=$PATH:/usr/lib64/openmpi-1.10/bin/
>>>
>>> bash-4.1$ cmake .. -DGMX_BUILD_OWN_FFTW=ON
>>> -DREGRESSIONTEST_DOWNLOAD=ON
>>> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-9.1/ -DGMX_GPU=on
>>> -DCMAKE_INSTALL_PREFIX=/prd/pkgs/gromacs/gromacs-2018/ -DGMX_MPI=on
>>> bash-4.1$ make bash-4.1$ make check Test project /prd/pkgs/gromacs/gromacs-2018/build
>>> Start 1: TestUtilsUnitTests
>>> 1/39 Test #1: TestUtilsUnitTests ............... Passed 0.41 sec
>>> Start 2: TestUtilsMpiUnitTests
>>> 2/39 Test #2: TestUtilsMpiUnitTests ............ Passed 0.29 sec
>>> Start 3: MdlibUnitTest
>>> 3/39 Test #3: MdlibUnitTest .................... Passed 0.24 sec
>>> Start 4: AppliedForcesUnitTest
>>> 4/39 Test #4: AppliedForcesUnitTest ............ Passed 0.22 sec
>>> Start 5: ListedForcesTest
>>> 5/39 Test #5: ListedForcesTest ................. Passed 0.25 sec
>>> Start 6: CommandLineUnitTests
>>> 6/39 Test #6: CommandLineUnitTests ............. Passed 0.29 sec
>>> Start 7: EwaldUnitTests
>>> 7/39 Test #7: EwaldUnitTests ...................***Failed 0.92 sec
>>> [==========] Running 257 tests from 10 test cases.
>>> [----------] Global test environment set-up.
>>>
>>> -------------------------------------------------------
>>> Program: ewald-test, version 2018
>>> Source file: src/gromacs/gpu_utils/gpu_utils.cu (line 735)
>>> Function: void findGpus(gmx_gpu_info_t*)
>>>
>>> Assertion failed:
>>> Condition: cudaSuccess == cudaPeekAtLastError() Should be
>>> cudaSuccess
>>>
>>> For more information and tips for troubleshooting, please check the
>>> GROMACS website at http://www.gromacs.org/Documentation/Errors
>>> -------------------------------------------------------
>>> --------------------------------------------------------------------
>>> -
>>> ----- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
>>> with errorcode 1.
>>>
>>> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>>> You may or may not see output from other processes, depending on
>>> exactly when Open MPI kills them.
>>> --------------------------------------------------------------------
>>> -
>>> -----
>>>
>>> Start 8: FFTUnitTests
>>> 8/39 Test #8: FFTUnitTests ..................... Passed 0.37 sec
>>> Start 9: GpuUtilsUnitTests
>>> 9/39 Test #9: GpuUtilsUnitTests ................***Failed 0.91 sec
>>> [==========] Running 35 tests from 7 test cases.
>>> [----------] Global test environment set-up.
>>> [----------] 7 tests from HostAllocatorTest/0, where TypeParam = int [
>>> RUN ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks
>>>
>>> -------------------------------------------------------
>>> Program: gpu_utils-test, version 2018 Source file:
>>> src/gromacs/gpu_utils/gpu_utils.cu (line 735)
>>> Function: void findGpus(gmx_gpu_info_t*)
>>>
>>> Assertion failed:
>>> Condition: cudaSuccess == cudaPeekAtLastError() Should be
>>> cudaSuccess
>>>
>>> For more information and tips for troubleshooting, please check the
>>> GROMACS website at http://www.gromacs.org/Documentation/Errors
>>> -------------------------------------------------------
>>> --------------------------------------------------------------------
>>> -
>>> ----- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
>>> with errorcode 1.
>>>
>>> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>>> You may or may not see output from other processes, depending on
>>> exactly when Open MPI kills them.
>>> --------------------------------------------------------------------
>>> -
>>> -----
>>>
>>> Start 10: HardwareUnitTests
>>> 10/39 Test #10: HardwareUnitTests ................ Passed 0.24 sec
>>> Start 11: MathUnitTests
>>> 11/39 Test #11: MathUnitTests .................... Passed 0.25 sec
>>> Start 12: MdrunUtilityUnitTests
>>> 12/39 Test #12: MdrunUtilityUnitTests ............ Passed 0.22 sec
>>> Start 13: MdrunUtilityMpiUnitTests
>>> 13/39 Test #13: MdrunUtilityMpiUnitTests ......... Passed 0.35 sec
>>> Start 14: OnlineHelpUnitTests
>>> 14/39 Test #14: OnlineHelpUnitTests .............. Passed 0.24 sec
>>> Start 15: OptionsUnitTests
>>> 15/39 Test #15: OptionsUnitTests ................. Passed 0.25 sec
>>> Start 16: RandomUnitTests
>>> 16/39 Test #16: RandomUnitTests .................. Passed 0.26 sec
>>> Start 17: TableUnitTests
>>> 17/39 Test #17: TableUnitTests ................... Passed 0.41 sec
>>> Start 18: TaskAssignmentUnitTests
>>> 18/39 Test #18: TaskAssignmentUnitTests .......... Passed 0.21 sec
>>> Start 19: UtilityUnitTests
>>> 19/39 Test #19: UtilityUnitTests ................. Passed 0.32 sec
>>> Start 20: FileIOTests
>>> 20/39 Test #20: FileIOTests ...................... Passed 0.26 sec
>>> Start 21: PullTest
>>> 21/39 Test #21: PullTest ......................... Passed 0.24 sec
>>> Start 22: AwhTest
>>> 22/39 Test #22: AwhTest .......................... Passed 0.23 sec
>>> Start 23: SimdUnitTests
>>> 23/39 Test #23: SimdUnitTests .................... Passed 0.29 sec
>>> Start 24: GmxAnaTest
>>> 24/39 Test #24: GmxAnaTest ....................... Passed 0.38 sec
>>> Start 25: GmxPreprocessTests
>>> 25/39 Test #25: GmxPreprocessTests ............... Passed 0.58 sec
>>> Start 26: CorrelationsTest
>>> 26/39 Test #26: CorrelationsTest ................. Passed 1.23 sec
>>> Start 27: AnalysisDataUnitTests
>>> 27/39 Test #27: AnalysisDataUnitTests ............ Passed 0.30 sec
>>> Start 28: SelectionUnitTests
>>> 28/39 Test #28: SelectionUnitTests ............... Passed 0.61 sec
>>> Start 29: TrajectoryAnalysisUnitTests
>>> 29/39 Test #29: TrajectoryAnalysisUnitTests ...... Passed 1.19 sec
>>> Start 30: EnergyAnalysisUnitTests
>>> 30/39 Test #30: EnergyAnalysisUnitTests .......... Passed 0.58 sec
>>> Start 31: CompatibilityHelpersTests
>>> 31/39 Test #31: CompatibilityHelpersTests ........ Passed 0.23 sec
>>> Start 32: MdrunTests
>>> 32/39 Test #32: MdrunTests .......................***Failed 0.98 sec
>>> [==========] Running 29 tests from 11 test cases.
>>> [----------] Global test environment set-up.
>>> [----------] 6 tests from BondedInteractionsTest [ RUN ]
>>> BondedInteractionsTest.NormalBondWorks
>>>
>>> NOTE 1 [file
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testin
>>> g /Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp,
>>> line 1]:
>>>
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testin
>>> g /Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp
>>> did not specify a value for the .mdp option "cutoff-scheme". Probably it
>>> was first intended for use with GROMACS before 4.6. In 4.6, the Verlet
>>> scheme was introduced, but the group scheme was still the default. The
>>> default is now the Verlet scheme, so you will observe different
>>> behaviour.
>>>
>>>
>>> NOTE 2 [file
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp]:
>>> For a correct single-point energy evaluation with nsteps = 0, use
>>> continuation = yes to avoid constraining the input coordinates.
>>>
>>> Setting the LD random seed to 417973934 Generated 3 of the 3
>>> non-bonded parameter combinations Excluding 3 bonded neighbours
>>> molecule type 'butane'
>>> Removing all charge groups because cutoff-scheme=Verlet
>>>
>>> NOTE 3 [file BondedInteractionsTest_NormalBondWorks_butane1.top, line 31]:
>>> In moleculetype 'butane' 2 atoms are not bound by a potential or
>>> constraint to any other atom in the same moleculetype. Although
>>> technically this might not cause issues in a simulation, this
>>> often means
>>> that the user forgot to add a bond/potential/constraint or put multiple
>>> molecules in the same moleculetype definition by mistake. Run with -v to
>>> get information for each atom.
>>>
>>> Number of degrees of freedom in T-Coupling group rest is 9.00
>>>
>>> NOTE 4 [file
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp]:
>>> NVE simulation with an initial temperature of zero: will use a Verlet
>>> buffer of 10%. Check your energy drift!
>>>
>>>
>>> There were 4 notes
>>>
>>> -------------------------------------------------------
>>> Program: mdrun-test, version 2018
>>> Source file: src/gromacs/gpu_utils/gpu_utils.cu (line 735)
>>> Function: void findGpus(gmx_gpu_info_t*)
>>>
>>> Assertion failed:
>>> Condition: cudaSuccess == cudaPeekAtLastError() Should be
>>> cudaSuccess
>>>
>>> For more information and tips for troubleshooting, please check the
>>> GROMACS website at http://www.gromacs.org/Documentation/Errors
>>> -------------------------------------------------------
>>> This run will generate roughly 0 Mb of data
>>> --------------------------------------------------------------------
>>> -
>>> ----- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
>>> with errorcode 1.
>>>
>>> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>>> You may or may not see output from other processes, depending on
>>> exactly when Open MPI kills them.
>>> --------------------------------------------------------------------
>>> -
>>> -----
>>>
>>> Start 33: MdrunMpiTests
>>> 33/39 Test #33: MdrunMpiTests ....................***Failed 2.06 sec
>>> [==========] Running 7 tests from 5 test cases.
>>> [----------] Global test environment set-up.
>>> [----------] 1 test from MultiSimTerminationTest [ RUN ]
>>> MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenR
>>> e
>>> starts
>>>
>>> NOTE 1 [file
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testin
>>> g
>>> /Temporary/MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminat
>>> i
>>> onAndThenRestarts_input1.mdp,
>>> line 14]:
>>>
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testin
>>> g
>>> /Temporary/MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminat
>>> i onAndThenRestarts_input1.mdp did not specify a value for the .mdp
>>> option "cutoff-scheme". Probably it
>>> was first intended for use with GROMACS before 4.6. In 4.6, the Verlet
>>> scheme was introduced, but the group scheme was still the default. The
>>> default is now the Verlet scheme, so you will observe different
>>> behaviour.
>>>
>>>
>>> NOTE 1 [file
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testin
>>> g
>>> /Temporary/MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminat
>>> i
>>> onAndThenRestarts_input0.mdp,
>>> line 14]:
>>>
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testin
>>> g
>>> /Temporary/MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminat
>>> i onAndThenRestarts_input0.mdp did not specify a value for the .mdp
>>> option "cutoff-scheme". Probably it
>>> was first intended for use with GROMACS before 4.6. In 4.6, the Verlet
>>> scheme was introduced, but the group scheme was still the default. The
>>> default is now the Verlet scheme, so you will observe different
>>> behaviour.
>>>
>>> Setting the LD random seed to 73630723 Generated 3 of the 3
>>> non-bonded parameter combinations Generating 1-4
>>> interactions: fudge = 0.5 Generated 3 of the 3 1-4 parameter
>>> combinations Excluding 2 bonded neighbours molecule type 'SOL'
>>> Setting gen_seed to -1322183961
>>> Velocities were taken from a Maxwell distribution at 288 K Removing
>>> all charge groups because cutoff-scheme=Verlet Number of degrees of
>>> freedom in T-Coupling group System is 9.00 Determining Verlet buffer
>>> for a tolerance of 0.005 kJ/mol/ps at 298 K Calculated rlist for 1x1
>>> atom pair-list as
>>> 1.026 nm, buffer size 0.026 nm Set rlist, assuming 4x4 atom
>>> pair-list, to
>>> 1.024 nm, buffer size 0.024 nm Note that mdrun will redetermine
>>> rlist based on the actual pair-list setup This run will generate
>>> roughly 0 Mb of data
>>>
>>> NOTE 2 [file
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testing/Temporary/MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_input1.mdp]:
>>> You are using a plain Coulomb cut-off, which might produce artifacts.
>>> You might want to consider using PME electrostatics.
>>>
>>>
>>>
>>> There were 2 notes
>>> Setting the LD random seed to 408678750 Generated 3 of the 3
>>> non-bonded parameter combinations Generating 1-4
>>> interactions: fudge = 0.5 Generated 3 of the 3 1-4 parameter
>>> combinations Excluding 2 bonded neighbours molecule type 'SOL'
>>> Setting gen_seed to 1490520586
>>> Velocities were taken from a Maxwell distribution at 298 K Removing
>>> all charge groups because cutoff-scheme=Verlet Number of degrees of
>>> freedom in T-Coupling group System is 9.00 Determining Verlet buffer
>>> for a tolerance of 0.005 kJ/mol/ps at 298 K
>>>
>>> NOTE 2 [file
>>> /prd/pkgs/gromacs/gromacs-2018/build/src/programs/mdrun/tests/Testing/Temporary/MultiSimTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_input0.mdp]:
>>> You are using a plain Coulomb cut-off, which might produce artifacts.
>>> You might want to consider using PME electrostatics.
>>>
>>>
>>>
>>> There were 2 notes
>>> Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size
>>> 0.026 nm Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer
>>> size 0.024 nm Note that mdrun will redetermine rlist based on the
>>> actual pair-list setup This run will generate roughly 0 Mb of data
>>>
>>> -------------------------------------------------------
>>> Program: mdrun-mpi-test, version 2018 Source file:
>>> src/gromacs/gpu_utils/gpu_utils.cu (line 735)
>>> Function: void findGpus(gmx_gpu_info_t*) MPI rank: 0 (out of 2)
>>>
>>> Assertion failed:
>>> Condition: cudaSuccess == cudaPeekAtLastError() Should be
>>> cudaSuccess
>>>
>>> For more information and tips for troubleshooting, please check the
>>> GROMACS website at http://www.gromacs.org/Documentation/Errors
>>> -------------------------------------------------------
>>> --------------------------------------------------------------------
>>> -
>>> ----- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
>>> with errorcode 1.
>>>
>>> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>>> You may or may not see output from other processes, depending on
>>> exactly when Open MPI kills them.
>>> --------------------------------------------------------------------
>>> -
>>> -----
>>>
>>> Start 34: regressiontests/simple
>>> 34/39 Test #34: regressiontests/simple ........... Passed 25.95 sec
>>> Start 35: regressiontests/complex
>>> 35/39 Test #35: regressiontests/complex .......... Passed 80.79 sec
>>> Start 36: regressiontests/kernel
>>> 36/39 Test #36: regressiontests/kernel ........... Passed 223.69 sec
>>> Start 37: regressiontests/freeenergy
>>> 37/39 Test #37: regressiontests/freeenergy ....... Passed 16.11 sec
>>> Start 38: regressiontests/pdb2gmx
>>> 38/39 Test #38: regressiontests/pdb2gmx .......... Passed 92.77 sec
>>> Start 39: regressiontests/rotation
>>> 39/39 Test #39: regressiontests/rotation ......... Passed 20.51 sec
>>>
>>> 90% tests passed, 4 tests faile
>>>
>>
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