[gmx-developers] Using graphics coprocessors for MD

[Lieven Buts]

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):

http://www.yasara.com/benchmarks.htm

Surely GROMACS cannot let such a challenge go unanswered ;-) ?

-- 
Lieven Buts
Department of Ultrastructure
Vrije Universiteit Brussel