[gmx-users] Re: Diatomic in MeCN NPT (NH and PR) simulation segfaults after 1 us

Justin Lemkul jalemkul at vt.edu
Tue Nov 13 22:54:47 CET 2012

On 11/13/12 2:56 PM, benjfitz wrote:
> Are there any other tests I should run to diagnose the problem?

I doubt there's anything that can be done that will be particularly useful.  You 
could compile in debugging mode and try to do a backtrace when the problem 
occurs, but if you have a means to run stable simulations (500-ns intervals), I 
don't know whether that's worth it to you or not.  I doubt any of the developers 
are going to want to run microsecond simulations to try to track it down.



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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