[gmx-users] Install Gromacs on VirtualBox
Szilárd Páll
pall.szilard at gmail.com
Fri Oct 2 11:36:36 CEST 2015
Hi,
Can you share the CPUID flags shown in /proc/cpuinfo?
--
Szilárd
On Thu, Oct 1, 2015 at 7:03 PM, Simon Dürr <simon.duerr at uni-konstanz.de>
wrote:
> I used this:
>
> > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF
> -DGMX_USE_RDTSCP=OFF
>
> But Still:
> Test project /home/simon/gromacs-5.0.6/build
> Start 1: TestUtilsUnitTests
> 1/15 Test #1: TestUtilsUnitTests ...............***Exception:
> Illegal 0.29 sec
>
> Start 2: PreprocessingTests
> 2/15 Test #2: PreprocessingTests ...............***Exception:
> Illegal 0.23 sec
>
> Start 3: CommandLineUnitTests
> 3/15 Test #3: CommandLineUnitTests .............***Exception:
> Illegal 0.36 sec
>
> Start 4: FFTUnitTests
> 4/15 Test #4: FFTUnitTests .....................***Exception:
> Illegal 0.32 sec
>
> Start 5: RandomUnitTests
> 5/15 Test #5: RandomUnitTests ..................***Exception:
> Illegal 0.25 sec
>
> Start 6: OnlineHelpUnitTests
> 6/15 Test #6: OnlineHelpUnitTests ..............***Exception:
> Illegal 0.30 sec
>
> Start 7: OptionsUnitTests
> 7/15 Test #7: OptionsUnitTests .................***Exception:
> Illegal 0.31 sec
>
> Start 8: UtilityUnitTests
> 8/15 Test #8: UtilityUnitTests .................***Exception:
> Illegal 0.26 sec
>
> Start 9: FileIOTests
> 9/15 Test #9: FileIOTests ......................***Exception:
> Illegal 0.31 sec
>
> Start 10: SimdUnitTests
> 10/15 Test #10: SimdUnitTests ....................***Exception:
> Illegal 0.30 sec
>
> Start 11: LegacyToolsTests
> 11/15 Test #11: LegacyToolsTests .................***Exception:
> Illegal 0.30 sec
>
> Start 12: AnalysisDataUnitTests
> 12/15 Test #12: AnalysisDataUnitTests ............***Exception:
> Illegal 0.23 sec
>
> Start 13: SelectionUnitTests
> 13/15 Test #13: SelectionUnitTests ...............***Exception:
> Illegal 0.35 sec
>
> Start 14: TrajectoryAnalysisUnitTests
> 14/15 Test #14: TrajectoryAnalysisUnitTests ......***Exception:
> Illegal 0.35 sec
>
> Start 15: MdrunTests
> 15/15 Test #15: MdrunTests .......................***Exception:
> Illegal 0.28 sec
>
>
> 0% tests passed, 15 tests failed out of 15
>
> Label Time Summary:
> GTest = 3.63 sec
> IntegrationTest = 0.81 sec
> UnitTest = 3.63 sec
>
> Total Test time (real) = 4.61 sec
>
>
> The following tests FAILED:
> 1 - TestUtilsUnitTests (ILLEGAL)
> 2 - PreprocessingTests (ILLEGAL)
> 3 - CommandLineUnitTests (ILLEGAL)
> 4 - FFTUnitTests (ILLEGAL)
> 5 - RandomUnitTests (ILLEGAL)
> 6 - OnlineHelpUnitTests (ILLEGAL)
> 7 - OptionsUnitTests (ILLEGAL)
> 8 - UtilityUnitTests (ILLEGAL)
> 9 - FileIOTests (ILLEGAL)
> 10 - SimdUnitTests (ILLEGAL)
> 11 - LegacyToolsTests (ILLEGAL)
> 12 - AnalysisDataUnitTests (ILLEGAL)
> 13 - SelectionUnitTests (ILLEGAL)
> 14 - TrajectoryAnalysisUnitTests (ILLEGAL)
> 15 - MdrunTests (ILLEGAL)
> Errors while running CTest
> make[3]: *** [CMakeFiles/run-ctest] Error 8
> make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
> make[1]: *** [CMakeFiles/check.dir/rule] Error 2
> make: *** [check] Error 2
>
> 2015-10-01 11:00 GMT-04:00 Szilárd Páll <pall.szilard at gmail.com>:
> > My guess is that you need to turn off RDTSCP:
> >
> http://www.gromacs.org/Documentation/Installation_Instructions_5.0#portability-aspects
> >
> >
> >
> > --
> > Szilárd
> >
> > On Thu, Oct 1, 2015 at 4:36 PM, Simon Dürr <simon.duerr at uni-konstanz.de>
> > wrote:
> >
> >> I have problems installing Gromacs on a VirtualBox machine.
> >>
> >> Stats of the System:
> >> Lubuntu 32bit, 14.04 LTS
> >> build-essential and cmake are installed.
> >>
> >> I follow the instructions:
> >> > tar xfz gromacs-5.0.6.tar.gz
> >> > cd gromacs-5.0.6
> >> > mkdir build
> >> > cd build
> >> > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF
> >> > make
> >> > make check
> >> > sudo make install
> >> > source /usr/local/gromacs/bin/GMXRC
> >>
> >> However make check gives me the following errors and I can't figure out
> >> why.
> >> I can install Gromacs after and executing gmx "appname" works with no
> >> errors.
> >>
> >> Do you have ideas why?
> >>
> >> > 0% tests passed, 15 tests failed out of 15
> >> > Label Time Summary:
> >> > GTest = 3.54 sec
> >> > IntegrationTest = 0.88 sec
> >> > UnitTest = 3.54 sec
> >> > Total Test time (real) = 4.58 sec
> >> > The following tests FAILED:
> >> > 1 - TestUtilsUnitTests (ILLEGAL)
> >> > 2 - PreprocessingTests (ILLEGAL)
> >> > 3 - CommandLineUnitTests (ILLEGAL)
> >> > 4 - FFTUnitTests (ILLEGAL)
> >> > 5 - RandomUnitTests (ILLEGAL)
> >> > 6 - OnlineHelpUnitTests (ILLEGAL)
> >> > 7 - OptionsUnitTests (ILLEGAL)
> >> > 8 - UtilityUnitTests (ILLEGAL)
> >> > 9 - FileIOTests (ILLEGAL)
> >> > 10 - SimdUnitTests (ILLEGAL)
> >> > 11 - LegacyToolsTests (ILLEGAL)
> >> > 12 - AnalysisDataUnitTests (ILLEGAL)
> >> > 13 - SelectionUnitTests (ILLEGAL)
> >> > 14 - TrajectoryAnalysisUnitTests (ILLEGAL)
> >> > 15 - MdrunTests (ILLEGAL)
> >> > Errors while running CTest
> >> > make[3]: *** [CMakeFiles/run-ctest] Error 8
> >> > make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
> >> > make[1]: *** [CMakeFiles/check.dir/rule] Error 2
> >> > make: *** [check] Error 2
> >> --
> >> Gromacs Users mailing list
> >>
> >> * Please search the archive at
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> >> posting!
> >>
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> >>
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> >>
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
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> posting!
> >
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> --
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>
> * Please search the archive at
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> posting!
>
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>
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