[gmx-users] Re: Diatomic in MeCN NPT (NH and PR) simulation segfaults after 1 us
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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