Re: [AMBER] REMD with pmemd.cuda

From: Ashutosh Shandilya <izerokelvin.gmail.com>
Date: Tue, 8 Apr 2014 18:15:09 +0530

If we want to run eight replicas do we need eight cards? Can I run jobs on
two cards with eight replicas?
Would there be any memory issues etc.
Thanks


On 8 April 2014 17:24, Ashutosh Shandilya <izerokelvin.gmail.com> wrote:

> If we want to run eight replicas do we need eight cards? Can I run jobs on
> two cards with eight replicas?
>
> Thanks
>
>
> On 8 April 2014 17:15, Jason Swails <jason.swails.gmail.com> wrote:
>
>> On Tue, 2014-04-08 at 03:37 -0400, Nhai wrote:
>> > I dont think there is any difference.
>>
>> Except of course you need to use pmemd.cuda.MPI instead of sander.MPI as
>> described in the relevant tutorial
>> [http://ambermd.org/tutorials/advanced/tutorial7/] ;).
>>
>>
>> >
>> > Hai Nguyen
>> >
>> > > On Apr 7, 2014, at 9:04 PM, Milo Westler <milo.nmrfam.wisc.edu>
>> wrote:
>> > >
>> > > Anyone know of a recent tutorial to do temperature REMD on multiple
>> gpus?
>> > >
>> > > Thanks,
>> > >
>> > > --
>> > > -- 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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>> --
>> Jason M. Swails
>> BioMaPS,
>> Rutgers University
>> Postdoctoral Researcher
>>
>>
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>>
>
>
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Received on Tue Apr 08 2014 - 06:00:04 PDT
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