[gmx-developers] how to program openmp for bondeds

[Berk Hess]

OpenMP is fully automated for bondeds. If you add a new bonded potential 
it is automatically parallelized with OpenMP (it's magic!).

Cheers,

Berk

On 11/03/14 22:52 , Roland Schulz wrote:
>
>
>
> On Tue, Mar 11, 2014 at 5:15 PM, David van der Spoel 
> <spoel at xray.bmc.uu.se <mailto: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
>     <tel:%2B46184714205>.
>     spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>
>     http://folding.bmc.uu.se
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