[gmx-users] problem: gromacs run on gpu
karami.leila1 at gmail.com
Fri Jul 7 22:56:05 CEST 2017
*Dear Nikhil and Szilárd,*
Thanks for your answers.
I want to use only one of GPUs (for example ID =1).
Should I use option -gpu_id 1?
Information of my system hardware is as follows:
Running on 1 node with total 96 cores, 192 logical cores, 3 compatible GPUs
Hardware detected on host cschpc.ut.ac.ir (the node of MPI rank 0).
Since there is 1 node in my system, should I use both of -ntmpi and
-ntomp or just -ntomp?
Should I obtain optimum values for -ntmpi and -ntomp using trial and
error? Is not there another way?
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