On 2011-04-13 11.26, delara aghaie wrote:
Hello
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 !!!.
thanks
D.aghaie
4.0.7 is a lot better than 3.3 for scaling, but the latest version 4.5.4
is even better. In addition it contains new features and bugfixes.
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
[email protected] http://folding.bmc.uu.se
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