Re: [AMBER-Developers] [AMBER] Compilation errors for AmberTools 13 with OpenMP

From: David A Case <case.biomaps.rutgers.edu>
Date: Sun, 28 Apr 2013 07:10:11 -0400

On Sat, Apr 27, 2013, M. L. Dodson wrote:
>
>
> I don't know how widespread openmp support is among operating systems likely
> to be used for AmberTools installs, but if it is near universal, my opinion
> is that -openmp installs should be the default, not serial installs. This is
> because almost all modern CPUs are multicore, hence fit well with openmp.

Our main concern in making this the default is/was that users might be using
multiple cores when they weren't expecting to, potentially violating local
queue requirements, etc. But I'm cc-ing this to amber-developers, to get
other opinions. You are correct that certain types of workstation jobs would
indeed be faster if users routinely made us of the openmp capabilties.

...thanks...dac


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Received on Sun Apr 28 2013 - 04:30:03 PDT
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