AMBER Archive (2009)

Subject: Re: [AMBER] OpenMP

From: michael (
Date: Tue Oct 13 2009 - 09:43:09 CDT

On Mon, 2009-10-12 at 13:35 -0400, Ben Roberts wrote:
> Hi all,
> Can anyone clarify for me whether Sander supports OpenMP parallelisation
> at present? I see that the configure script takes a -openmp argument,
> but it's not clear to me what parts of AmberTools and Amber this
> argument applies to.
> Thanks,
> Ben

I'm no Amber expert but I'd look for the OMP directives in the source
code, if there are none then no OMP parallelisation exists. (Do not
confuse compiler options such as -autoparallelise which will attempt to
parallelise DO/for loops using OMP or threads.)

Dr. Michael K Bane
Senior Development Officer
Univ. of Manchester M13 9PL

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