[gmx-users] mdrun on GPU
jalemkul at vt.edu
Fri Apr 26 17:04:03 CEST 2013
On 4/26/13 10:50 AM, Juliette N. wrote:
> Hi all,
> I am going to use 4.6 version of gmx on GPU. I am not sure of the mdrun
> command though. I used to use mpirun -np 4 mdrun_mpi -deffnm .. in 4.5.4.
> Can I use the same command line as before for mdrun or other tools?
Please read through the documentation here first:
The exact details depend on the configuration of your hardware.
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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