[gmx-users] 2016.3 installation

[RAHUL SURESH]

Dear Mark

First apology that I am unaware how to run the test programs.

Next, I tried to simulate a protein and i get the following error.


*[user at mqml rahul]$* source /usr/local/gromacs/bin/GMXRC
*[user at mqml rahul]$* gmx pdb2gmx -f 99nsInput.pdb -o 99nsInput.gro -p
99nsInput.top
gmx: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.21' not found
(required by gmx)
gmx: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.20' not found
(required by /usr/local/gromacs/bin/../lib64/libgromacs.so.2)
gmx: /usr/lib64/libstdc++.so.6: version `CXXABI_1.3.8' not found (required
by /usr/local/gromacs/bin/../lib64/libgromacs.so.2)
gmx: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.18' not found
(required by /usr/local/gromacs/bin/../lib64/libgromacs.so.2)
gmx: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.14' not found
(required by /usr/local/gromacs/bin/../lib64/libgromacs.so.2)
gmx: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.21' not found
(required by /usr/local/gromacs/bin/../lib64/libgromacs.so.2)
gmx: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.15' not found
(required by /usr/local/gromacs/bin/../lib64/libgromacs.so.2)
*[user at mqml rahul]$*






On Mon, May 1, 2017 at 12:58 AM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> We can't tell. Run one of the test programs you can see in the $build/bin
> did
>
> Mark
>
> On Sat, 29 Apr 2017 12:40 RAHUL SURESH <drrahulsuresh at gmail.com> wrote:
>
> > Dear Users
> >
> > I am trying to install Gromacs 2016.3
> >
> > For make check command I am getting the following errors.
> >
> > I need your assistance to overcome this issue.
> >
> >
> > 22% tests passed, 21 tests failed out of 27
> >
> > Label Time Summary:
> > GTest                 =   0.02 sec (18 tests)
> > IntegrationTest       =   0.00 sec (2 tests)
> > MpiIntegrationTest    =   0.00 sec (1 test)
> > UnitTest              =   0.02 sec (18 tests)
> >
> > Total Test time (real) =   0.82 sec
> >
> > The following tests FAILED:
> >       1 - TestUtilsUnitTests (Failed)
> >       2 - MdlibUnitTest (Failed)
> >       3 - CommandLineUnitTests (Failed)
> >       4 - FFTUnitTests (Failed)
> >       5 - HardwareUnitTests (Failed)
> >       6 - MathUnitTests (Failed)
> >       7 - OnlineHelpUnitTests (Failed)
> >       8 - OptionsUnitTests (Failed)
> >       9 - RandomUnitTests (Failed)
> >      10 - UtilityUnitTests (Failed)
> >      11 - FileIOTests (Failed)
> >      12 - PullTest (Failed)
> >      13 - SimdUnitTests (Failed)
> >      14 - LegacyToolsTests (Failed)
> >      15 - GmxPreprocessTests (Failed)
> >      16 - CorrelationsTest (Failed)
> >      17 - AnalysisDataUnitTests (Failed)
> >      18 - SelectionUnitTests (Failed)
> >      19 - TrajectoryAnalysisUnitTests (Failed)
> >      20 - MdrunTests (Failed)
> >      21 - MdrunMpiTests (Failed)
> > 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
> > [root at mqml build]#
> >
> > --
> > *Regards,*
> > *Rahul Suresh*
> > *Research Scholar*
> > *Bharathiar University*
> > *Coimbatore*
> > --
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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*