[gmx-users] different results when using different number cpus

Dechang Li li.dc06 at gmail.com
Wed Dec 5 13:28:44 CET 2007

 Dear all,
  I used Gromacs3.3.1 to do a simulation about two proteins in water(tip3p).
I run two similar simulations, one for 2 cpus, while the other for 16 cpus.
The two simulations have the same .gro, .top, and the same .mdp files. I found
the results were not the same. In the 2 cpus simulation, the two proteins 
run closer and closer. But they run apart in the 16 cpus simulation.
   Is that normal the different results when using different number cpus? The 
size of my simulation box is 9*7*7.

Best regards,


Dechang Li, PhD Candidate
Department of Engineering Mechanics
Tsinghua University
Beijing 100084
PR China 

Tel:   +86-10-62773779(O) 
Email: li.dc06 at gmail.com

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