[gmx-users] GPU job failed

Albert mailmd2011 at gmail.com
Tue Sep 9 09:19:32 CEST 2014

thank you for reply.

I compiled it with command:

env CC=mpicc CXX=mpicxx F77=mpif90 FC=mpif90 LDF90=mpif90 

On 09/09/2014 09:16 AM, Carsten Kutzner wrote:
> Hi,
> from the double output it looks like two identical mdruns,
> each with 1 PP process and 10 OpenMP threads, are started.
> Maybe there is something wrong with your MPI setup (did
> you by mistake compile with thread-MPI instead of MPI?)
> Carsten

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