[gmx-users] Load imbalance logging, how to limit it?

Justin Lemkul jalemkul at vt.edu
Tue Oct 16 15:32:59 CEST 2012

On 10/16/12 1:02 AM, Ladasky wrote:
> I'm getting control over my .mdp files, cutting down on the generation of
> data for which I currently have no use.  I just changed the nstenergy
> parameter to 2500 cycles, much larger than its default value of 100 cycles.
> This reduced logging still gives me plenty of data for monitoring the
> stability of long runs.
> In my .log file, however, load imbalances are still being reported every 10
> cycles.  Once in a while, I'll get a 15% to 20% load imbalance, but most of
> the time it's under 2%.  It's nothing that I seem to need to worry about at
> this time.  I would like to reduce the load imbalance reporting frequency as
> well.  What is the .mdp file key word that accomplishes this?

nstlog controls log file output.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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