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

Miah Wadud Dr (ITCS) W.Miah at uea.ac.uk
Wed Apr 20 15:17:43 CEST 2011

The MPI library is able to run other MPI jobs as well as other parallel Gromacs runs, and it just seems like this run causes this difficulty. I am using Platform MPI 8.1.


>-----Original Message-----
>From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On
>Behalf Of Mark Abraham
>Sent: Wednesday, April 20, 2011 12:46 PM
>To: Discussion list for GROMACS users
>Subject: Re: [gmx-users] dhfr-impl-1nm.bench run keeps failing
>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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