Globus-WS Submission of a NAMD Job ..

From: Graham Jenkins (
Date: Fri Sep 28 2007 - 02:19:28 CDT

We have people at my site submitting jobs to a Sun Grid Engine
cluster with scripts like:

#$ -S /bin/sh
#$ -cwd
#$ -pe mpich 12
module load namd-intel
charmrun -np 12 namd2 myjob.namd
So I'm wondering whether anybody knows please how one might
submit a similar job using Globus. I'm guessing you'd need
an mpiexec equivalent of the last line so that a Globus 'mpi'
job-type could be used?   Or perhaps there's a way of
submitting it using 'charmrun' .. as a 'multiple' job?
Regards ..
Graham Jenkins
Senior Software Specialist, E-Research
Tel:   +613 9905-5942
Mob:   +614 4850-2491

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