Re: [AMBER] CPU core requirements for GPU Amber?

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 26 May 2010 18:55:12 -0400

On Wed, May 26, 2010 at 6:40 PM, Ross Walker <ross.rosswalker.co.uk> wrote:

> Hi Jason,
>
> > in and correct minor misconceptions I have about this, but the amber11
> > release does currently only support 1 CPU and 1 GPU, and I think
> > parallelization will go in the direction of making it 1 CPU for
> > multiple
> > GPUs, not the other way around.
>
> Just to update on this... We hope to have a multi-GPU version of AMBER
> ready
> in a few months. EXTREMELY provisional numbers are on the order of 2.5-2.7
> or so times speed up on 4 C2050's (vs 1 C2050) using 4 GPUs for JAC. This
> will hopefully be released as a patch to the AMBER 11 code once it is
> finished and has been tested.
>

Will it then be using 4 CPUs, or will it just stick with 1? I knew the
multi-GPU patch was coming, I guess I just assumed it would be 1 CPU
directing x GPUs. Will this support GPUs on multiple machines, or just on
the same machine? I'd have been inclined to guess the former, though I'd
heard rumor of an nVidia "supercomputer" that boasts several machines with
several GPUs linked together with an interconnect on steroids (obviously not
a detailed rumor :)). I guess time will tell...

All the best (to copy your signature sign-off),
Jason


> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>
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-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed May 26 2010 - 16:00:08 PDT
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