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language	bash
title	Bash skripta
linenumbers	true

#PBS -q cpu
#PBS -l select=32
#PBS -l place=pack
 
MPI_NUM_PROCESSES=$(cat ${PBS_NODEFILE} | wc -l)
 
cd ${PBS_O_WORKDIR}
 
module load scientific/bagel/2022.06.03-intel
 
mpirun -np $(cat ${MPIPBS_NUM_PROCESSES}NODEFILE} | wc -l) BAGEL input.json