[gmx-users] GPU job failed

[Albert]

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

thanks a lot guys

regards
Albert


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