Hi Milo,
I would suggest at least trying it and seeing how it does. Just set 1 mpi
task per replica and it should round robbin on the two GPUs. As I say make
sure they are NOT set to process exclusive mode.
All the best
Ross
On 1/24/14, 1:55 PM, "Milo Westler" <milo.nmrfam.wisc.edu> wrote:
>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
>> >FAX: (608)-263-1722
>> >=======================================================================
>> >========
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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 - 14:30:02 PST
