Help wiht CHarMM

Jeff Taylor jeff at adeno.wistar.upenn.edu
Tue Sep 19 12:56:18 EST 1995


Ok, I know this is an X-plor group but I don't know where to go for CharMM help
(please advise me if there is a better place).  Anyway, I'm trying to run
CHarMM in parallel on a UNIX cluster.  I have compiled an executable with the
parallel options as specified in the CHarMM docs, but they are vague when it
comes to getting a job started.  I do a setenv NODE0 host0, NODE1 host1, etc...
but then how do I get them all started?  The docs refer to a script used at the
NIH to start jobs on their HP cluster, could someone mail this to me?
	On a related note, I have access to a 8 CPU SGI 4D machine but it doesn't have
the Power Fortran parallel compiler.  Could someone with a similar machine
compile a parallel executable for me?
	I'd like to here from anyone with experience running CHarMM, especially on
parallel systems.

Thanks,

Jeff Taylor
Dept. of Biophysics
University of Pennsylvania

---> Linux rules!   Windoze drools. <---




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