Re: [AMBER] REMD with pmemd.cuda

From: Ashutosh Shandilya <izerokelvin.gmail.com>
Date: Tue, 8 Apr 2014 17:24:23 +0530

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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Received on Tue Apr 08 2014 - 05:00:04 PDT
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