Thanks. I've only got 2 GPUs, so maybe I'll go back to multiple CPUs.
.
On Fri, Jan 24, 2014 at 3:51 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> 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
> >
> >W. Milo Westler, Ph.D.
> >
> >NMRFAM Director
> >Senior Scientist
> > and
> >Adjunct Professor
> >Department of Biochemistry
> >University of Wisconsin-Madison
> >433 Babcock Drive
> >Madison, WI USA 53706-1544
> >EMAIL: milo.nmrfam.wisc.edu
> >PHONE: (608)-263-9599
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--
-- Milo
===================================================
National Magnetic Resonance Facility at Madison
An NIH-Supported Resource Center
W. Milo Westler, Ph.D.
NMRFAM Director
Senior Scientist
and
Adjunct Professor
Department of Biochemistry
University of Wisconsin-Madison
433 Babcock Drive
Madison, WI USA 53706-1544
EMAIL: milo.nmrfam.wisc.edu
PHONE: (608)-263-9599
FAX: (608)-263-1722
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Received on Fri Jan 24 2014 - 14:00:03 PST
