How to do parallel search of smi files on the cluster
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This tutorial shows how to do parallel search of smi files on the cluster. The files and scripts can be found in /nfs/home/jizhou/ex7/2D/test-parallel @gimel.compbio.ucsf.edu
Create a folder with the following files and scripts
SUBMIT.sh input.txt search_smi.sh merge.sh
SUBMIT.sh SUBMIT.sh contains bash code for qsub. SUBMIT.sh specify the qsub command, parameters for qsub, input file, the function script, parameters for the function. A example is shown below.
#!/bin/bash /nfs/soft/tools/utils/qsub-slice/qsub-mr \ -l 5 \ -N test \ all.input \ ./search_smi.sh \ -q "CS(=O)(=O)CCNCc1ccccc1"