...
Code Block | ||||||
---|---|---|---|---|---|---|
| ||||||
#!/bin/bash #PBS -N structure_threader-ex #PBS -l select=1:ncpus=64:mem=40GB16GB #PBS -j oe #PBS -q cpu_180 cd $PBS_O_WORKDIR module load scientific/structure_threader/1.0 str_bin=/usr/local/bin/structure structure_threader.sh structure_threader run -i scilla_m10/scillastructureisabella_EDITED.txt -K 8 -R 10 --params scilla_m10/scillastructureisabella_mainparams.txt -o scilla_m10/results_edited_10 -t $NCPUS -st ${str_bin} |