Re: [AMBER] sander on amber12

From: Ross Walker <>
Date: Fri, 28 Jan 2011 07:30:59 -0800

Hi Setyanto,

> Right now only PMEMD that support for GPU. When Sander can run on GPU?
> Is it right that Sander in AMBER 12 can run in GPU?

This was one of the original goals of the NSF SSI-SSE proposal myself and
Adrian Roitberg submitted. However, NSF did not give us sufficient funding
or duration to do this part of the project so it had to be cut from the
goals. I hope you appreciate such funding issues are a sad fact of life in
science these days. Should we be successful in obtaining sufficient
additional funding for the GPU work then adding support for sander is on my
list of objectives.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
| NVIDIA Fellow |
| | |
| Tel: +1 858 822 0854 | EMail:- |

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Received on Fri Jan 28 2011 - 08:00:05 PST
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