From: Bennion, Brian (Bennion1_at_llnl.gov)
Date: Wed Jan 22 2014 - 18:22:03 CST
Based on this recent publication http://onlinelibrary.wiley.com/doi/10.1002/jcc.23501/abstract
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?
This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:20:25 CST