RE: [AMBER] Periodic Boundary in AMBER(PMEMD) GPU Acceleration support ?

From: Ross Walker <ross.rosswalker.co.uk>
Date: Fri, 26 Feb 2010 21:40:56 -0800

Hi Jacky,

It will certainly support multiple cards in the same box for multiple
independent runs. I.e. if you have 4 cards you can run 4 runs at once. We
are working on multiple GPU support, and multiple node support but I am not
certain yet if this will be ready for the upcoming AMBER 11 release or will
have to follow as a patch a month or two later.

All the best
Ross

> -----Original Message-----
> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> Behalf Of ZhaoLei
> Sent: Friday, February 26, 2010 7:58 PM
> To: amber
> Subject: RE: [AMBER] Periodic Boundary in AMBER(PMEMD) GPU Acceleration
> support ?
>
>
> Hi Ross
> Do you mean that Amber11 will support multiple Nvidia Video card
> acceleration or just support one Nvidia Video Card acceleration ?
>
>
> Thanks,
>
> Jacky
>
> > Date: Fri, 26 Feb 2010 15:40:26 +0900
> > From: hi-watanabe.hpc.co.jp
> > To: amber.ambermd.org
> > Subject: Re: [AMBER] Periodic Boundary in AMBER(PMEMD) GPU
> Acceleration support ?
> > CC: ross.rosswalker.co.uk
> >
> > Hi Ross,
> >
> > Thanks for your rapid reply.
> > I'm looking forward to the PME working version, your doc and
> benchmarks!
> >
> > Thanks,
> >
> > > Hi Hiromasa,
> > >
> > > Right now the patch for AMBER 10 provides on GB support. Full GPU
> support
> > > (NVIDIA) including GB and PME will be available as part of the
> upcoming
> > > AMBER 11 release. I will be putting together documentation and
> benchmarks
> > > for both current Tesla and new Fermi cards in the next month or so.
> We have
> > > PME working in our development version and are in the final phases
> of
> > > testing and validation.
> > >
> > > Stay tuned.
> > >
> > > All the best
> > > Ross
> > >
> > >> -----Original Message-----
> > >> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org]
> On
> > >> Behalf Of Hiromasa WATANABE
> > >> Sent: Thursday, February 25, 2010 7:06 PM
> > >> To: amber.ambermd.org
> > >> Cc: hi-watanabe.hpc.co.jp
> > >> Subject: [AMBER] Periodic Boundary in AMBER(PMEMD) GPU
> Acceleration
> > >> support ?
> > >>
> > >> Hi Amber fans,
> > >>
> > >> I see the great page, http://ambermd.org/gpus/ ,
> > >> in the Provisional Benchmarks (TRPCage, Myoglobin
> > >> and Nucleosome), ntb=0 is set.
> > >>
> > >> In the AMBER(PMEMD) GPU Acceleration support,
> > >> is periodic boundary computation supported ?
> > >> If yes, how would be it's performance ?
> > >>
> > >> thanks in advance,
> > >>
> > >> --
> > >> Hiromasa WATANABE
> > >> Research Development Department, HPC SYSTEMS Inc.
> > >> Head office: Time 24 Building 10F North,
> > >> 2-4-32 Aomi, Koutou-ku, Tokyo, Japan 135-8073.
> > >> Email: hi-watanabe.hpc.co.jp
> > >> www.hpc.co.jp
> > >>
> > >> _______________________________________________
> > >> AMBER mailing list
> > >> AMBER.ambermd.org
> > >> http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > >
> > > _______________________________________________
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> > > AMBER.ambermd.org
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> > >
> >
> > --
> > Hiromasa WATANABE
> > Research Development Department, HPC SYSTEMS Inc.
> > Head office: Time 24 Building 10F North,
> > 2-4-32 Aomi, Koutou-ku, Tokyo, Japan 135-8073.
> > Email: hi-watanabe.hpc.co.jp
> > www.hpc.co.jp
> >
> > _______________________________________________
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> > http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Feb 26 2010 - 22:00:03 PST
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