[AMBER] BSUB on LSF cluster

From: D.A. Ragland <debra.ragland.gmail.com>
Date: Tue, 21 Oct 2014 17:54:55 -0400


I am trying to compose a simple submission script to run a batch job using
ptraj on the school's LSF cluster, however I've run into a signal 11
segmentations error that I don't know how to correct. Could anyone give
this a quick looksee to see what may be missing or where I went wrong?


#BSUB -J help

#BSUB -W 60

#BSUB -q short

#BSUB -o help.%J.out

#BSUB -e help.%J.err

module load openmpi/1.6.5

module load umw_celia_schiffer/amber/12



ptraj $input

Debra Ragland
B.S. Chemistry
Ph.D. Candidate
UMass Medical School
Graduate School of Biomedical Sciences
Basic Biomedical Sciences Program
Schiffer Lab LRB 970M
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Received on Tue Oct 21 2014 - 15:00:02 PDT
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