[gmx-users] gromacs memory usage
kgp.amit at gmail.com
Fri Feb 26 10:03:41 CET 2010
I am having trouble with running gromacs with a large system. I am trying to
use several processors for the md. The error is a memory allocation error
and it might be due to low RAM or large no of particles. I want to know the
detailed memory usage of mdrun ie say for N atoms how much memory does the
master node need and then also whats the memory requirement for the other
nodes. By master node i mean the node that does the domain decomposition
calculation etc during the start of mdrun. A webpage which describes the
memory requirement at various stages during mdrun will be very helpful.
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