[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 


More information about the gromacs.org_gmx-users mailing list