Re: [AMBER] OpenMP programs

From: David A. Case <>
Date: Thu, 8 Jul 2010 16:14:21 -0400

On Thu, Jul 08, 2010, Marc Moreau wrote:

> 3 - To compile with openmp I need to add the '-openmp' directive to
> ./configure. Does it qualify as 'parallel' in Amber? I would consider
> it parallel, but how do the configuration and compilation see it?

I think Ross' answer here is wrong (or misleading). If you send -openmp
to configure, then try "make parallel" in $AMBERTOOLS/src, you should get
an error message. Only -mpi qualifies as "parallel" for Amber itself.

Of course, you could also answer your own question just by trying it... :-)

We should probably update the docs to make this clearer.


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Received on Thu Jul 08 2010 - 13:30:06 PDT
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