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

Paul bauer paul.bauer.q at gmail.com
Mon Apr 6 09:23:23 CEST 2020


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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