[gmx-developers] Using graphics coprocessors for MD
spoel at xray.bmc.uu.se
Mon Apr 26 11:14:25 CEST 2004
On Mon, 2004-04-26 at 09:06, Lieven Buts wrote:
> On Friday 23 April 2004 11:15, Erik Lindahl wrote:
> > 4. The theoretical performance is incredibly (200Gflop), but it drops
> > very fast when you start to use more registers (complicated to explain,
> > but confirmed by ATI/NVidia). Our current performance is about 50% of
> > what you get from SSE on a recent P4.
> While on the subject of speed: I noticed that the molecular modelling program
> YASARA offers a 100 dollar prize for code that runs a specified simulation
> faster than their code (benchmark 2):
> Surely GROMACS cannot let such a challenge go unanswered ;-) ?
Well if you feel like it, the $100 can be yours (it says it need not be
your own program you are using). Please report back to the list...
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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