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

[Justin Lemkul]

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

-- 
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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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