Background Workflow |
Sh#!/bin/bash #BSUB -e err_avgHbond #BSUB -o out_avgHbond #BSUB -q exx96 #BSUB -J "avgHbond_CPU" #BSUB -n 1 # env export PATH=/home/apps/CENTOS7/amber/amber18/bin:$PATH export LD_LIBRARY_PATH=/home/apps/CENTOS7/amber/amber18/lib:/home/apps/CENTOS7/amber/amber18/lib64:$LD_LIBRARY_PATH export PATH=/share/apps/openmpi/1.4.4+intel-12/bin:$PATH export LD_LIBRARY_PATH=/share/apps/openmpi/1.4.4+intel-12/lib:$LD_LIBRARY_PATH # call cpptraj in Amber18 for i in {1..30}; do cd /mindstore/home33ext/kscopino/COD1_GCN_SUBS/5JUP/GCC/NEUTRAL/NEUTRAL_$i/DATA/ cpptraj -i cpptraj_5a_avgHbond.in done |