[gmx-users] dhfr-impl-1nm.bench run keeps failing

Mark Abraham Mark.Abraham at anu.edu.au
Wed Apr 20 13:45:54 CEST 2011

On 4/20/2011 6:57 PM, Miah Wadud Dr (ITCS) wrote:
> Hello,
> I am trying to run the dhfr-impl-1nm.bench benchmark but this keeps failing. I am using Gromacs 4.5.3 built using both Intel and PGI compilers, but both builds fail with the error message:
> MPI Application rank 1 exited before MPI_Finalize() with status 0
> The rank and the status value vary. Any idea what could be wrong?

No idea. That's just a generic advisory from the MPI library. Only the 
mdrun stdout or .log file could have a GROMACS-specific diagnostic 
message. You need to be sure that you can run other MPI programs, too.


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