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

From: jacky zhao <jackyzhao010.gmail.com>
Date: Sat, 27 Feb 2010 16:42:45 +0800

Hi Ross

Thank you very much, this technique is quite cool. Especially, the Fremi is
coming soon. I'm looking forward to it.


Jacky

在 2010年2月27日 下午1:40,Ross Walker <ross.rosswalker.co.uk>写道:

> 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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> > > >
> > >
> > > --
> > > 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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> >
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-- 
Lei Zhao, Ph.D.
International Joint Cancer Institute of the Second Military Medical
University
National Engineering Research Center for Antibody Medicine
New Library Building 11th floor,800 Xiang Yin Road
Shanghai 200433
P.R.China
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Received on Sat Feb 27 2010 - 01:00:02 PST
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