On Thu, Jan 19, 2017 at 11:29 AM, Thakur, Abhishek <axt651.miami.edu> wrote:
> Hi everyone,
>
>
> I am planning to do REMD, I just want to know is it possible to run it on
> multiple GPU's?
>
yes
>
> If yes then how?
>
similar to this tutorial: http://ambermd.org/tutorials/advanced/tutorial7/
but instead of using sander.MPI, you need to use pmemd.cuda.MPI
Just make sure you run one replica per GPU.
>
> Will it be more effective than CPU's?
>
>
much more.
Hai
>
>
> Thanking you,
>
> AT
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Received on Thu Jan 19 2017 - 09:00:03 PST
