[gmx-developers] how to program openmp for bondeds

Roland Schulz roland at utk.edu
Tue Mar 11 22:53:16 CET 2014


On Tue, Mar 11, 2014 at 5:15 PM, David van der Spoel
<spoel at xray.bmc.uu.se>wrote:

> How can I program the bonded forces to work with openmp?
>

The bonded forces are using openmp. Look for "#pragma omp" in bondfree.c

Roland

>
> I grepped the code for GMX_OPENMP or nthreads_omp but allmost nothing
> pops up. Any other keywords that I can grep for?
>
> Cheers,
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
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