[gmx-users] Help calculation on cluster

Smith, Micholas D. smithmd at ornl.gov
Fri Dec 18 20:47:28 CET 2015

Not really the best place to ask this question (check with your system admins), but....

You could run your command from a "screen session". 

Just run screen when you first log into the machine, go about your business setting up your simulation and then start it. Once it is running, type control-a-d to detach from the session. It will continue to run until completion, or the computer crashes, whether you close the terminal or not. And you can always re-attach to the screen session to see what is going on from a new terminal if you need to.

Ideally, though, you would just submit your job to a queuing system and wait for it to finish...be sure to check with your sys. admins.

Micholas Dean Smith, PhD.
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics

From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Mishelle Oña <samimishu at hotmail.com>
Sent: Friday, December 18, 2015 2:40 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] Help calculation on cluster

I am doing some simulations in a cluster. I want to know if there is an option to run the simulation in order that I can close the terminal?. I tried to make  sbatch but the problem is that when I entered the command there is a step to choose the system and with sbatch I could not choose this option.
Thank youMishelle
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