[gmx-users] 2016.3 installation

[RAHUL SURESH]

Dear Mark,

I executed the test files from bin and I et the following error

./analysisdata-test
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.20'
not found (required by ./analysisdata-test)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `CXXABI_1.3.8' not
found (required by ./analysisdata-test)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.21'
not found (required by ./analysisdata-test)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.15'
not found (required by ./analysisdata-test)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.20'
not found (required by /gromacs-2016.1/build/lib/libgromacs.so.2)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `CXXABI_1.3.8' not
found (required by /gromacs-2016.1/build/lib/libgromacs.so.2)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.18'
not found (required by /gromacs-2016.1/build/lib/libgromacs.so.2)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.14'
not found (required by /gromacs-2016.1/build/lib/libgromacs.so.2)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.21'
not found (required by /gromacs-2016.1/build/lib/libgromacs.so.2)
./analysisdata-test: /usr/lib64/libstdc++.so.6: version `GLIBCXX_3.4.15'
not found (required by /gromacs-2016.1/build/lib/libgromacs.so.2)


Await your precious response

On Mon, May 1, 2017 at 5:25 PM, RAHUL SURESH <drrahulsuresh at gmail.com>
wrote:

> 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*
>



-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*