Background Workflow |
#!/bin/bash #BSUB -e err_avgstruct #BSUB -o out_avgstruct #BSUB -q exx96 #BSUB -J avgstruct_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..27}; do cd /mindstore/home33ext/kscopino/5JUP_PROTOCOL/PIGGYBACKING/COD1_C2_1S_50PS/COD1_C2_$i/DATA/ cpptraj -i cpptraj_1b_avgstruct.in done |