[gmx-users] Install Gromacs on VirtualBox

Simon Dürr simon.duerr at uni-konstanz.de
Thu Oct 1 16:37:38 CEST 2015


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


More information about the gromacs.org_gmx-users mailing list