Re: [AMBER] configuring AmberTools 1.5 for Intel MKL

From: case <case.biomaps.rutgers.edu>
Date: Thu, 12 May 2011 21:54:08 -0400

On Thu, May 12, 2011, Brendan Duggan wrote:
>
> Just out of curiousity, what is the more common platform?

In my view, most people would be best off just using the gnu compilers for
AmberTools. If you are really running long or big calculations (that take
days to weeks to complete), making use of commerical compilers like Intel
can pay off. But I best most users of AmberTools would never notice the
difference. (And in any event, new users should make sure they are really
going to need a little extra performance bump before playing with compilers.)

...dac


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Received on Thu May 12 2011 - 19:00:02 PDT
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