[gmx-users] 4.6 seems improved the efficiency
Albert
mailmd2011 at gmail.com
Sat Feb 9 09:38:16 CET 2013
Hello :
I found the new released 4.6 probably improved very obviously for the
efficiency. With the same system, I used 4.5.5 it can get 26 ns/day (144
CPU, 55,000 atoms, Amber FF) with g_tume_pme optimization. Now I used
4.6, even without g_tune_pme, the pme mesh/force can get 0.8-1.0 with
efficiency 32 ns/day. That's really nice.
I don't know whether other users have similar experiences for this new
version.
Albert
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