[gmx-users] Long Simulation Time

Justin A. Lemkul jalemkul at vt.edu
Tue Oct 20 19:12:53 CEST 2009

Chih-Ying Lin wrote:
> HI
>  i was reading somewhere......  "simulation will break / terminate when 
> the simulation is running so so long ".......
> Did anyone read the same information?
> Please refer me the related information since I have no idea where I 
> read this information.
> How long is long ?
> How to avoid this?

I've never heard of such a thing.  Unless you can produce the source, no one can 
comment on its validity.  I've had jobs that run for weeks of computing time 
without problem, and I know others whose jobs are even longer.

The only potentially related information I can think of is using mdrun -maxh, 
which will terminate the run if it exceeds the specified value.

Unless you're actually seeing a problem with long simulations inexplicably 
dying, I wouldn't think there's a reason to worry.


> Thank you
> Lin
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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