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Re: [lammps-users] lammps run on cluster server
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Re: [lammps-users] lammps run on cluster server

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 11 May 2018 18:33:59 -0400

On Thu, May 10, 2018 at 3:26 PM, ehsan gowdini <ehsangowdini@...24...> wrote:
Dear users

what command can use for run lammps on cluster when terminal window
closed run continue and not stop?

for example when write " nohup " before run command for NAMD package
and Gaussian when terminal window be closed run continue

​you should consult with the sysadmins of your cluster how to best run applications.
different people manage clusters differently and there are different recommendations how to deal with it.

on the clusters, that i have a hand in managing, you would not be allowed to run the way you describe at all, but you would have to write a shell script and you would have to submit that script to a queuing system. you would not be allowed to log into a compute node and it would not be tolerated to run calculations on the login node.​

​but i am certain, the rules for your cluster are different and only your local people can tell you (or point you to a webpage where those are posted).​



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Dr. Axel Kohlmeyer  akohlmey@...92......
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.