[gmx-developers] Threading in GROMACS

[David van der Spoel]

Jagan Mohan wrote:
> Hello,
> Just wanted to know if GROMACS 3.3.3 supports multi threading that is 
> can run four instances of mdrun in the same machine which has 4 cores...
> 
No.
You can use mpi for one parallel simulation, or mdrun -multi for four 
independent simulations.



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-- 
David van der Spoel, Ph.D., Professor of Biology
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