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
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