[gmx-users] How do I examine the results didn't write issue

Mark Abraham Mark.Abraham at anu.edu.au
Mon Sep 12 14:35:02 CEST 2011

On 12/09/2011 10:23 PM, lina wrote:
> Hi,
> I am confused, why the job is running,
> but they did not write the .edr, .log .xtc ... files.
> Everything showed so normal, just not writing,
> when I used thread, all is fine, the writing is normal.
> just use mpi, I tried different nodes, still not work, now two hours 
> later, still no writing, just running.

If you can run mdrun_threads -np 4 and get output and your mpirun -np 4 
mdrun_mpi does not write output, then there must be something wrong with 
your MPI environment. Try another MPI program and see what it does.


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