[gmx-developers] GPU Code?

Ansgar Esztermann aeszter at gwdg.de
Fri Mar 30 17:42:46 CEST 2007


if I recall the issue correctly, one of the Folding at Home pages states
that the gmx-based code that runs on GPUs has been contributed back to
the gmx team. Is that correct? 

I have some time on my hands now and would like to look into writing
GPU routines for gmx. I am not sure how much of the F at H code can be
re-used (supposedly, it uses an implicit solvent model); but even if
most or all of it would have to be re-written eventually, it would
still be a good starting point.

Ansgar Esztermann
Researcher & Sysadmin
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