Re: [ESPResSo-users] Compilation ESPResSo cluster

[Salvador H-V]

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 "run.sh" file I was using:  /opt/openmpi/bin/mpirun -np 4 ./Espresso Mixt_Colloids.tcl

and launched the job with: qsub run.sh

But the proper way to run in parallel is using the "run.sh" with 

/opt/openmpi/bin/mpirun ./Espresso Mixt_Colloids.tcl

and to launch the job:  qsub -pe orte 4 run.sh

Thanks a lot!

Salvador