[gmx-users] About the -multi option in mdrun
David van der Spoel
spoel at xray.bmc.uu.se
Thu Dec 18 10:49:49 CET 2008
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.
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