Dear All,
Thanks to a close collaboration with NVIDIA I am pleased to announce that we
now have provisional support for GPU acceleration (using NVIDIA CUDA) in
PMEMD. At present this only covers GB simulations but we hope to add PME
support shortly.
Depending on system size using a GPU can be between 10 and 80x faster than a
single 2.8GHz Intel processor.
A webpage showing provisional benchmarks along with patches for AMBER 10,
supported features and instructions for compiling is available here:
http://ambermd.org/gpus/index.htm
As of Sept 4th 2009 this code has been tested on the following NVIDIA GPUS:
Tesla C1060
GTX295
Additionally it should work on any v1.3 NVIDIA GPU including:
Tesla C1070
GTX285
GTX275
At present only a single GPU is supported but it is our intention to add
support for multiple GPUs (e.g. C1070) shortly.
Please consider this to still be experimental code and thus help will be
provided on an ad hoc basis. Your feedback via the AMBER mailing list is,
however, welcome.
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 | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
/\
\/
|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
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Received on Mon Sep 14 2009 - 11:52:00 PDT
