[gmx-users] GPU problem

Albert mailmd2011 at gmail.com
Tue Jun 4 09:26:33 CEST 2013


  I've got four GPU in one workstation. I am trying to run two GPU job 
with command:

mdrun -s md.tpr -gpu_id 01
mdrun -s md.tpr -gpu_id 23

there are 32 CPU in this workstation. I found that each job trying to 
use the whole CPU, and there are 64 sub job when these two GPU mdrun 
submitted.  Moreover, one of the job stopped after short of running, 
probably because of the CPU issue.

I am just wondering, how can we distribute CPU when we run two GPU job 
in a single workstation?

thank you very much


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