[gmx-users] REMD in parallel
David van der Spoel
spoel at xray.bmc.uu.se
Mon May 15 16:22:11 CEST 2006
Andrey V. Golovin wrote:
> Dear All,
> We curious about the possibility to run REMD 4 replicas on for instance
> 8 or 16 processors. Up to this moment it's looks like only single node
> tpr could be used. Is it true?
> Thanks in advance.
> P.S. We are using 3.3.1 version of Gromacs.
this is implemented in the CVS version of gromacs, that is the 4.0alpha
(i.e. not even beta). Please try at your own risk.
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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