|Subject:||Re: [ESPResSo-users] Parallel Running|
|Date:||Wed, 17 Dec 2014 16:52:36 +0100|
As you have a loop, there should be 30 repetitions. If your MPI is misconfigured, you can actually end up with two independent Espresso instances, printing 30x number of cores. Add a "puts [setmd n_nodes]" to the script to see how many cores Espresso is working on.
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Phone: +49 711 685 67609
On 17 Dec 2014, at 08:31, roya moghaddasi <address@hidden> wrote:
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