From the output is still seems like you are *not* running 2018.1: (e.g. "Program: ewald-test, version 2018").
Please rebuild with the 2018.1 release, the error messages should change. -- Szilárd On Fri, Mar 23, 2018 at 4:54 PM, Tresadern, Gary [RNDBE] <gtres...@its.jnj.com> wrote: > 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-boun...@maillist.sys.kth.se > [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of > Szilárd Páll > Sent: Friday, 23 March 2018 11:45 > To: Discussion list for GROMACS users <gmx-us...@gromacs.org> > Cc: gromacs.org_gmx-users@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] > <gtres...@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-boun...@maillist.sys.kth.se >> [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf >> Of Mark Abraham >> Sent: Wednesday, 21 March 2018 17:03 >> To: gmx-us...@gromacs.org >> Cc: gromacs.org_gmx-users@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-boun...@maillist.sys.kth.se [mailto: >>>> gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of >>>> Tresadern, Gary [RNDBE] >>>> Sent: Saturday, 17 March 2018 16:46 >>>> To: 'gromacs.org_gmx-users@maillist.sys.kth.se' < >>>> gromacs.org_gmx-users@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 >>>> >>> >> -- >> Gromacs Users mailing list >> >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a >> mail to gmx-users-requ...@gromacs.org. >> -- >> Gromacs Users mailing list >> >> * Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! >> >> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> * For (un)subscribe requests visit >> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a >> mail to gmx-users-requ...@gromacs.org. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.