[gmx-users] 2nd question related to load imbalance

delara aghaie d_aghaie at yahoo.com
Wed Apr 13 11:26:31 CEST 2011

Previously I used gromacs/3.3 for my simulations of DPPc monolayer+Tip4P2005. I saw that it uses particle decomposition
Now I want to use versin 4.0.7 because I need tcoupl=v-rescale
This version does the domain decomposition which causes load imbalance.
with this version because of load imbalance and loss of performance the simulation needs longer time to run.
so the question:
what is the benefit of this domain decomposition. I think it causes the runs to be done slower !!!.
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