Hello Jurgen-- > > So e.g. in: xplor-nih-2.27/eginput/gb1_rdc/.runAll > > the command: > > xplor -quick -py -parallel anneal.py > > should already use multiple cores? >
It will use multiple cores if you specify which nodes to run on using the -machines option, or you use the -smp option (in which -parallel is redundant). e.g. xplor -quick -py -smp 4 anneal.py best regards-- Charles
-- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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