[gmx-users] gromacs make check failure

Paul bauer paul.bauer.q at gmail.com
Mon May 20 16:33:58 CEST 2019


from looking at the output from make check it looks like this is 
harmless. The tests simply took longer than the internally set cut-off 
of 30 seconds.
If you are unsure about the build, you can run the test binary manually 
from the build directory with (./gmxpreprocess-test in the same 
directory where you can find the gmx binary).
Then it won't use the cut-off and will take as much time as it will need.



On 20/05/2019 16:26, Nelson Chris AWE wrote:
> Hi All,
> I've built gromacs on an Intel x86_64 server with GCC 7.2.0 and OpenMPI
> When I run make check, I get a failure on test 29:
> 29 - GmxPreprocessTests (Timeout)
> Any advice would be much appreciated.
> Links to output files:
>    1.  Build environment (https://drive.google.com/open?id=1tBs6scDqR_gJLtBRzpxMSEdbWwxYR5ks )
>    2.  Build output (https://drive.google.com/open?id=1PQFllv49M-Op6HLtdKsRJfwHbFeEsint )
>    3.  Dependency list (https://drive.google.com/open?id=13rETIX_ejMs1DPBGcTdsQfWKeYFNwd7T )
>    4.  Make checkout output (https://drive.google.com/open?id=1YpAEbPSj0eEe2JERbL6OIc49Gd5e57a1 )
>    5.  mdrun - version output (https://drive.google.com/open?id=1qu44Mk_aLz3d65YldDKo5mMtvJVyvb6D )
> Kind regards,
> Chris.
> Christopher J. Nelson
> High Performance Computing
> Direct: +44(0)118 98 55021
> F161.1, AWE, Aldermaston, Reading, RG7 4PR, UK
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Paul Bauer, PhD
GROMACS Release Manager
KTH Stockholm, SciLifeLab

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