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

Mark Abraham Mark.Abraham at anu.edu.au
Thu Apr 21 00:59:36 CEST 2011

On 4/20/2011 11:17 PM, Miah Wadud Dr (ITCS) wrote:
> 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.

OK. That covers just one of the points I raised...


>> -----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.
>> Mark
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