[gmx-users] g_saltbr speed

Justin A. Lemkul jalemkul at vt.edu
Fri Jul 13 18:53:29 CEST 2012

On 7/13/12 12:05 PM, Kavyashree M wrote:
> Its 50ns 25000 frames. the xtc file is 695MB. it has 16GB RAM. So will
> that be insufficient? I have previously run other analysis which used to take
> huge memory, for eg. covariance analysis, in a system with much lesser memory
> even though CPU usage was low the job used to finish. But in this case its not
> so.

I can't see a reason why the file itself would present a problem.  I have run 
g_saltbr on similarly sized systems.  Sorry, I can't offer an explanation as to 
why it's stopping prematurely.



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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