[AMBER] AMBER 11 on multiple GPUs

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 1 Dec 2010 09:51:31 -0800

Dear AMBER users,

I just wanted to let you all know that we have now released a patch as part
of the bugfixes (bugfix.9 and bugfix.11) that provide support for
acceleration of PMEMD v11 on multiple GPUs using MPI. For those that are
interested there are compilation instructions and updated benchmarks on the
following page:


This represents the first release of multiple GPU support. We are currently
working on improving performance and scalability further and anticipate
releasing additional updates in a few months.

I would appreciate any feedback.

Additionally we are still working with NVIDIA to address the problem
involving runs hanging on GTX4XX and GTX580 cards and I am hopeful that a
workaround can be found.

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 |
| http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |

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Received on Wed Dec 01 2010 - 10:00:03 PST
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