Help wiht CHarMM
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
Dept. of Biophysics
University of Pennsylvania
---> Linux rules! Windoze drools. <---
More information about the X-plor