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

[Miah Wadud Dr (ITCS)]

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?

Thanks in advance,

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Wadud Miah, High Performance Computing Systems Developer
Research Computing Services, University of East Anglia
Web: http://www.uea.ac.uk/~xca10fju/
Telephone: 01603 593856

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