[gmx-users] only SimdUnitTests (Failed)

[Mark Abraham]

Hi,

That particular failing is benign - go ahead and use that GROMACS. But as
there were multiple minor issues with icc 15 and GROMACS, I strongly
suggest using one of the several newer versions. Often gcc will perform
similarly or better, too.

Mark

On Mon, Apr 2, 2018 at 9:00 PM Alex <alexanderwien2k at gmail.com> wrote:

> Hi Mark,
>
> Thanks for your answer.
>
> Below links show the results of bin/simd-test and bin/gmx -version
>
>
> https://drive.google.com/file/d/1RWzo5RhvOWULinY7ZsxqafMlwVPvPTL2/view?usp=sharing
>
>
> https://drive.google.com/file/d/1GdnqVznqpYZ0Eb_VE8Jc3P16Oi_B7F4A/view?usp=sharing
>
> Best regards,
> Alex
>
> On Mon, Apr 2, 2018 at 2:35 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
> > Hi,
> >
> > Running bin/simd-test will give more insight. What does bin/gmx -version
> > report?
> >
> > Mark
> >
> > On Mon, Apr 2, 2018 at 7:55 PM Alex <alexanderwien2k at gmail.com> wrote:
> >
> > > Dear all,
> > >
> > > Everything goes fine with installation of the gromacs.2018.1 in a
> > cluster,
> > > and also in make check all of the tests are passed successfully except
> > one
> > > of them below;
> > >
> > >
> > >       Start 23: SimdUnitTests
> > > 23/39 Test #23: SimdUnitTests ....................***Failed    0.61 sec
> > > ------------------------------------------------------------
> > --------------
> > > Error obtaining unique transport key from ORTE
> > > (orte_precondition_transports not present in
> > > the environment).
> > >
> > > ...
> > > ...
> > > ...
> > > 97% tests passed, 1 tests failed out of 39
> > >
> > > The following tests FAILED:
> > >          23 - SimdUnitTests (Failed)
> > > Errors while running CTest
> > > make[3]: *** [CMakeFiles/run-ctest-nophys] Error 8
> > > make[2]: *** [CMakeFiles/run-ctest-nophys.dir/all] Error 2
> > > make[1]: *** [CMakeFiles/check.dir/rule] Error 2
> > > make: *** [check] Error 2
> > >
> > >
> > > Any help to overcome the problem is highly appreciated.
> > >
> > > Regards,
> > > Alex
> > > --
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