[AMBER] Calculating Cpu hours from output file

From: Chris Bryant <csb61.case.edu>
Date: Thu, 25 Aug 2011 18:02:03 -0400

Hi,

I am trying to estimate how many cpu hours a simulation will take, but I am
not sure how to calculate it. The output file gives time began and ended,
which I could use to get the total simulation time and then multiply that by
cpus to get an upper bound on cpu hours (assuming the total simulation time
was not at 100% efficiency), but I was wondering if their was a better
indication of this. There is another time given in the output files,
labeled "total time," but I am not sure what units it is in. For instance,
a simulation run with 16 cpus with a "total time" of 37737 clocks in at
taking about 10 hours and thirty minutes. If I use that "upper bound"
method, the cpu hours should be no more than 160 cpu hours. If anyone could
help clear this up I would greatly appreciate it.

Thanks,
Chris Bryant
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Received on Thu Aug 25 2011 - 15:30:02 PDT
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