[gmx-users] Install Gromacs on VirtualBox

[Simon Dürr]

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
>> --
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