[gmx-users] GROMACS 2020.1 failed to pass make check

[Wei-Tse Hsu]

Hi Paul,
Thank you so much for your reply! That is very helpful.

Best,
Wei-Tse

On Mon, Apr 6, 2020 at 1:23 AM Paul bauer <paul.bauer.q at gmail.com> wrote:

> Hello,
>
> you are using a plumed modified version that adds extra options to mdrun.
> Our unit tests check that the output from mdrun -h stays invariant, and
> this is no longer the case once you modify the code for plumed.
>
> You can ignore this failure in this case, but please mention in the
> future if you are using modified versions of the code.
>
> Cheers
>
> Paul
>
> On 05/04/2020 21:23, Wei-Tse Hsu wrote:
> > Dear gmx users,
> > Recently I've been trying to install GROMACS 20201. After successfully
> > compilng GROMACS 2020.1, when executing make check command, I
> > encountered the following error. Specifically, one out of 56 tests
> failed,
> > which was related to Mdrun Test.WritesHelp. Looking at the error message,
> > I'm still not sure what it means and how I should solve this problem. I
> > wonder if anyone had this before that could give me some insights about
> how
> > I could solve the problem. Any help would be appreciated!
> >
> > Here is the error message in the middle.
> >
> >
> >
> >
> >
> > *[----------] 1 test from MdrunTest[ RUN      ]
> >
> MdrunTest.WritesHelp/home/wei-tse/Documents/Software/GROMACS/gromacs-2020.1/src/testutils/refdata.cpp:867:
> > Failure  In item: /Help string   Actual: 'SYNOPSIS*
> > And here is the error message in the end.
> >
> >
> >
> >
> >
> > *The following tests FAILED:         43 - MdrunTests
> > (Failed)CMakeFiles/run-ctest-nophys.dir/build.make:57: recipe for target
> > 'CMakeFiles/run-ctest-nophys' failedCMakeFiles/Makefile2:1467: recipe for
> > target 'CMakeFiles/run-ctest-nophys.dir/all'
> > failedCMakeFiles/Makefile2:445: recipe for target
> > 'CMakeFiles/check.dir/rule' failedMakefile:327: recipe for target 'check'
> > failed*
> >
> > And here is the whole STDOUT message of the command printed by make
> *check
> >> make_check.log*.
> >
> https://drive.google.com/file/d/1Nb2BLzA2Vl_cjS1b_M_HNk0wkrfR2WKt/view?usp=sharing
> >
> > Best,
> > Wei-Tse
>
>
> --
> Paul Bauer, PhD
> GROMACS Development Manager
> KTH Stockholm, SciLifeLab
> 0046737308594
>
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