[gmx-users] problem with energy minimization
Emanuel.Birru at monash.edu
Tue Jan 31 06:39:33 CET 2012
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Anushree Tripathi
Sent: Tuesday, 31 January 2012 4:11 PM
To: Discussion list for GROMACS users
Subject: [gmx-users] problem with energy minimization
When I run the command (i.e., mdrun -v -deffnm em) for energy minimization.
I am getting the error:
There is no domain decomposition for 4 nodes that is compatible with the given box and a minimum cell size of 4.07513 nm.
Please guide me.
Did you run it on a cluster? Or on a multiple CPUs?
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