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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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