[gmx-users] which version would be faster?
ckutzne at gwdg.de
Fri Sep 30 16:51:42 CEST 2016
> On 30 Sep 2016, at 16:31, Albert <mailmd2011 at gmail.com> wrote:
> I've got a GPU workstation with two GPUs. I am just wondering which version will gain a better performance? The MPI version, the thread version, or the thread-openMP version? There are 20 threads (Intel(R) Xeon(R) CPU E5-2690 v2 @ 3.00GHz) in my workstation.
Use thread-MPI plus OpenMP.
> I am going to run a job with both GPUs and there are around 60'000 atom in the system.
> Thank you very much.
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