Re: [AMBER] Loading across GPUs

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 19 Sep 2012 08:50:22 -0400

On Sep 19, 2012, at 5:57 AM, Adam Jion <adamjion.yahoo.com> wrote:

> Hi,
>
> Is it possible to control the computational loading across the GPUs for a multi-GPU run of Amber?
> That is, I want GPU 1 to do 75% of the computation whilst GPU 2 does 25% of the computation.

No. The only reason I could imagine wanting to try this is if the 2 GPUs are different and one is slower.

If this is the case, you basically have to use them for different simulations. For parallel sims, because of the serial nature of Molecular Dynamics, a parallel job could very easily be slower than one run on the fastest GPU (since it will be waiting for the slowest one to finish).

HTH,
Jason

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Wed Sep 19 2012 - 06:00:04 PDT
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