#!/bin/bash # #Script jobs # Comment # #$ -q all.q # Use specific queue #$ -N rosetta # Job Name #$ -cwd # Change to current working Directory #$ -S /bin/bash # Job run shell #$ -V # Export environment variables into script #$ -j y # Merge standard out and error into one file #$ -o rosetta.txt #$ -pe mpich 16 # MPI environment use for 2 cores $(which mpirun) -np $NSLOTS rosetta_bin_linux_2015.31.58019_bundle/main/source/bin/rosetta_scripts.mpi.linuxgccrelease @ flag.txt