[gmx-users] gromacs memory usage

Amit Choubey 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.

Thank you,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100226/8ddf5ab8/attachment.html>

More information about the gromacs.org_gmx-users mailing list