[gmx-users] Running Gromacs in Clusters

Marcelo Depolo marcelodepolo at gmail.com
Wed Nov 7 16:51:42 CET 2012

Good afternoon,

I wonder if anyone has experience running Gromacs in MPI. I'm paralleling the
processes and want to know how many processors reduces the computation time to
the minimum. I am currently using 24 processors for a system of 170 000
atoms and obtaining a simulation of 50ns in 15 days. There's a way to
reduce more this computational time?

Thanks in advance!
Marcelo Depólo Polêto
Departamento de Bioquímica e Biologia Molecular
Universidade Federal de Viçosa - UFV
*Website: http://opensourcebioinformatics.com/site/*

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