Hi Milo,
There is nothing to prevent you running multiple replicas on 1 GPU except
that you have to make sure the GPU is not in process exclusive mode -
Check the mode that nvidia-smi reports. And if it is not 'Default' then
run nvidia-smi -c 0 as root.
That said the performance is likely to be very bad and all replicas will
be memory resident on the GPU. So if you had 4 replicas it would use 4
times more GPU memory than if you had 1 replica per GPU. So I would say
that for testing purposes it works but for production runs it will be
difficult to do extensive sampling unless you have unique GPUs for each
replica.
I hope that helps.
All the best
Ross
On 1/24/14, 1:28 PM, "Milo Westler" <milo.nmrfam.wisc.edu> wrote:
>Can REMD be run (with pmemd.cuda) on a single GPU or do you need a
>separate
>GPU for each replica?
>
>--
>-- Milo
>===================================================
>National Magnetic Resonance Facility at Madison
> An NIH-Supported Resource Center
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>W. Milo Westler, Ph.D.
>
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> and
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Received on Fri Jan 24 2014 - 14:00:02 PST
