[gmx-users] About the -multi option in mdrun

[David van der Spoel]

Lee Soin wrote:
> Hello!
> How to specify the -multi option when doing REMD with mdrun? It seems 
> that this option has changed from bool to int type in version 4.0.
> 
mpirun -np 24 mdrun -multi 4
will start 4 jobs at 6 processors each.

> -- 
> Sun Li
> Department of Physics
> Nanjing University, China
> 
> 
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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