Hello,
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?
#!/bin/bash
#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
input=/home/dr69w/dm.nwptr
exe=share/pkg/umw_celia_schiffer/amber/12/bin/ptraj
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
