Re: [AMBER-Developers] Amber11 problems building with latest version of intel MKL (10.2)

From: case <case.biomaps.rutgers.edu>
Date: Wed, 12 Aug 2009 22:52:53 +0100

On Wed, Aug 12, 2009, Ross Walker wrote:

> ....Disaster if you are running mpi and forget to set
> OMP_NUM_THREADS=1 on all nodes.

...

> There is protection in the openmp code to force runtime OMP_NUM_THREADS to 1
> (using an openMP call) for all the other MKL routines, like vdinvsqrt.

Does it make sense to use the openMP call to set OMP_NUM_THREADS to 1 if mpi
is also running? Could that eliminate the "disaster" in the first paragraph?
And/or allow us always to link to the openmp version of the library (assuming
it is available)?

....dac


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Received on Wed Aug 19 2009 - 22:17:50 PDT
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