[gmx-developers] REMD with current development sources.
akohlmey at cmm.chem.upenn.edu
Wed May 17 12:51:22 CEST 2006
On Wed, 17 May 2006, Berk Hess wrote:
BH> Axel Kohlmeyer wrote:
BH> Is has changed and it has found its way into the embedded help.
BH> You need to read more carefully :)
BH> The -multi option now needs to be set to the number of replicas,
BH> as with the CVS code you can run each replica in parallel.
thanks, sorry about that. i must have picked up an old(er) binary.
given the number of machines/codes i am currently compiling that
was bound to happen :-(
the parallel REMD is the reason why i started the build from the
cvs sources in the first place...
BH> My REMD test system crashed with the current CVS,
BH> but I currently don't have time to check why.
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BH> gmx-developers at gromacs.org
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Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu
Center for Molecular Modeling -- University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.
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