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Re: [ESPResSo-users] Compilation ESPResSo cluster

From: Salvador H-V
Subject: Re: [ESPResSo-users] Compilation ESPResSo cluster
Date: Wed, 20 Mar 2013 15:36:39 -0600

Hi Olaf,

I really appreciate your time to answering my questions. Thanks you very much.

Also, thanks for working in the  the feature "ROTATION_PER_PARTICLE". That will be of great  help. I am already waiting  for the April version of ESPResSo ;)

> If I try to run a single job with say 8 processors, thus  ESPResSo
> runs in parallel in one single node!

How do you try to run it with 8 processors? The only way to run it in
parallel is to use mpirun or mpiexec.

I solved the problem. There was a mistake in the command.
In my "" file I was using:  /opt/openmpi/bin/mpirun -np 4 ./Espresso Mixt_Colloids.tcl
and launched the job with: qsub

But the proper way to run in parallel is using the "" with 
/opt/openmpi/bin/mpirun ./Espresso Mixt_Colloids.tcl

and to launch the job:  qsub -pe orte 4

Thanks a lot!


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