[gmx-users] GROMACS in parallel on a multicore PC?

David van der Spoel spoel at xray.bmc.uu.se
Wed Nov 21 13:13:16 CET 2007

Vasilii Artyukhov wrote:
> Thanks for the quick response :)
> 2007/11/21, Carsten Kutzner <ckutzne at gwdg.de <mailto:ckutzne at gwdg.de>>:
>     Hi Vasilii,
>      > - Does GROMACS support multithreaded execution & how efficient is it?
>     As far as I know this is planned, but not supported yet.
> Ok, but what about the underlying math libs? Would using threaded libs 
> boost performance to any noticeable extent?
No. We're not using any.

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David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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