Re: [gmx-users] Speeding things up

On Fri, Aug 14, 2009 at 10:50:29AM +0200, Berk Hess wrote: > > Hi, > > For systems with vacuum the automatic domain decomposition setup does > not do a good job. It currently decomposes based on the box dimensions, > not on the actual atom distribution in the box. > I was thinking of improving th

RE: [gmx-users] Speeding things up

performance. Berk > Date: Fri, 14 Aug 2009 10:36:50 +0200 > From: szefc...@mml.ch.pwr.wroc.pl > To: gmx-users@gromacs.org > Subject: [gmx-users] Speeding things up > > Dear Gromacs Users, > > I am was wondering if I would be able tweak my simulation to run it > a bit faster. Ac

[gmx-users] Speeding things up

Dear Gromacs Users, I am was wondering if I would be able tweak my simulation to run it a bit faster. According to the chapter 3.17 of the manual, I have setup the cut-offs and Fourier grid spacing so that the PME load is around 25%. However, Gromacs still complains in the log file about the perfo