[AMBER] Performance from pmemd.cuda

From: Gould, Ian R <i.gould.imperial.ac.uk>
Date: Tue, 20 Jul 2010 10:36:46 +0100

Dear All

I usually stay fairly quiet on the mailing list but thought I'd chip in my 2 cents about my tesla/cuda experiences as there is quite a lot of discussion on the list.
Having downed my fedora 12 based desk side machine I replaced the FX quadra card with a C2050 tesla. Rebooted the machine and installed the most recent Nvidia drivers and SDK.
Followed the instructions on the gpu page of the website and had everything up and running in less than an hour, believe me it is just that easy.
Initial impressions of performance are staggering. Have put a production job on, 126K atom pme calculation of a lipid bilayer, and am getting a 30x speed up over a 2.8Ghz Nehaleem core and an 5x speed up over 8 core MPI machine with the same cores. Am one very happy camper.


Women love us for our defects. If we have enough of them, they will forgive us everything, even our intellects.
Oscar Wilde,
Dr Ian R Gould
Senior Lecturer Biological and Biophysical Chemistry
Imperial College London
Exhibition Road
E-mail i.gould.imperial.ac.uk
Tel +44 (0)207 594 5809
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Received on Tue Jul 20 2010 - 03:00:03 PDT
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