For a 37,054 atom MD simulation of Streptavidin tetramer, octahedral box,
cut=9.0, 1fs timestep, and other standard parameters, PMEMD obtains:
System # Proc. Wall Time / ps Processor Wall Time / ps
Quad Xeon, 2.66GHz 2 262 seconds 524 seconds
Quad Xeon, 2.66GHz 4 146 seconds 584 seconds
Quad Xeon, 2.66GHz 8 94 seconds 752 seconds
Quad Xeon, 3.00GHz 4 136 seconds 544 seconds
So, with eight-way parallelization on a dual-quad box there is a ~30% loss of
efficiency versus 2-way parallelization.
Dave
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Received on Wed Aug 15 2007 - 06:07:33 PDT
