Re: [AMBER] slow AMBER on my machine

From: David A Case <case.biomaps.rutgers.edu>
Date: Fri, 11 May 2012 08:06:45 -0400

On Fri, May 11, 2012, Cao Yang wrote:

> I found that AMBER is much slower than the official's test on my
> machine. Details are as follows.

You are using a value of cut of 10.0, which will slow down the calculation
a lot compared to the benchmarks. You could also test how the calculation
scales with number of threads: sometimes using all the threads on a node
is not optimal, since any kind of background process might cause
synchronization problems. Try running with 10 threads just to see what
happens.

....dac


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Received on Fri May 11 2012 - 05:30:04 PDT
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