The docs actually tells you:
"Native GPU acceleration is supported with the verlet cut-off scheme
(not with the group scheme) with PME, reaction-field, and plain
cut-off electrostatics."
(http://www.gromacs.org/Documentation/Parallelization_and_acceleration#GPU_acceleration)
Use the cutoff-scheme
You guys should hit up UniZurich, the have a series of 1024 CPUs in combination
with several hundred GPU's in a cluster system. You could then test out some
things, including scalability etc...
Sincerely,
Stephan Lloyd Watkins
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> Datum: Thu, 15 Mar 2012
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