[gmx-users] a tip to run gromacs from Fink in mac duo core

David van der Spoel spoel at xray.bmc.uu.se
Tue Jul 22 19:44:20 CEST 2008

Alan wrote:
> Hi list!
> I would like to know among mac intel users with Fink, which gromacs
> with mpi to use:
> gromacs-mpi-lammpi or
> gromacs-mpi-openmpi
> Or there's any easier way (multi-threads is still not working in GMX, right?)?
Since LAM has been superseded by OpenMPI, the latter seems to be the 
more obvious choice.

> Many thanks in advance.
> Alan

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

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