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Hello Kenny-- > > I am now running xplor-nih on an?computer ?which has 4 CPUs, but I notice the > process only use one of them. How could I parallel ize the structure > calculation process to well use all of the CPUs? Thanks. (xplor version 2.18) > If you're using the Python interface (or marvin/PASD), you can just specify -smp 4 on the command-line to use all processors. If you're using the old XPLOR interface, you need to make some changes to your script. For example, see eginput/protG/anneal.inp in the Xplor-NIH distribution directory. Caveat: I've found that the -smp flag doesn't work reliably on Macs- instead, you should use -parallel -machines "hostname hostname hostname hostname" where hostname is the name of your computer. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFHOlHdPK2zrJwS/lYRArboAJ9Y97JGv6zL51TA2Kwwq0XYIauvuACcD/UI Ic3uBnc+k1OoHvBs/Cwl3IQ= =yeYF -----END PGP SIGNATURE-----
