[gmx-users] which version would be faster?

[Kutzner, Carsten]

> On 30 Sep 2016, at 16:31, Albert <mailmd2011 at gmail.com> wrote:
> 
> Hello:
> 
> 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.

Carsten

> 
> I am going to run a job with both GPUs and there are around 60'000 atom in the system.
> 
> Thank you very much.
> 
> Albert
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