recent comparison of NAMD to other MD engines

From: Bennion, Brian (
Date: Wed Jan 22 2014 - 18:22:03 CST


Based on this recent publication
NAMD2.9 stumbles compared with gromacs and an improved version of charmm on a large system (465404 atoms and 500 cores).
Any ideas as to the cause of this dramatic difference in speed between 256 and 400 cores?


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