[gmx-users] Gromacs on Gigabit Ethernet Dual Opteron Cluster

[Anton Feenstra]

Ghermes Chilov wrote:
> 
> The system (dummified protein in water)is big enough:~ 107.000 atoms,
> -shuffle -sort were used.

If your protein is big w/r the number of waters, it will become limiting
as soon as it fills a whole processor, i.e. CPU0 will be overloaded with
protein, and the others are doing water with time to spare...


-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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