[gmx-users] GPU job failed

Albert mailmd2011 at gmail.com
Tue Sep 9 09:56:19 CEST 2014

I recompiled Gromacs-5.0.1, finally it works now....
Probably I made some mistakes in previous compiling....

thanks a lot guys


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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