[gmx-users] g_saltbr speed
hmkvsri at gmail.com
Fri Jul 13 19:03:58 CEST 2012
Ok... I will try other options.
On Fri, Jul 13, 2012 at 10:23 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> 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
>> huge memory, for eg. covariance analysis, in a system with much lesser
>> even though CPU usage was low the job used to finish. But in this case its
> 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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