[gmx-users] PME nodes

XAvier Periole x.periole at rug.nl
Sat Jun 6 11:43:01 CEST 2009


Dears,

I am having troubles finding the better balance between the PME CPUs  
and the rest.
I played with the rdd, rcon and -npme options but nothing really  
appears very
straightforwardly best.

I'd appreciate if some of you could post their experience in that  
matter. I mean the
number of pme nodes as compared the total number of CPUs used.

I think this info as been discussed recently on the list but the  
archive is not accessible.

It may matter that I have a system containing about 70000 atoms, a  
protein in a bilayer.

Best,
XAvier.



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