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Primjer skripte za opis poslova:

Code Block

title	run.sge
linenumbers	true

#!/bin/bash

#$ -N qe
#$ -cwd
#$ -pe p28-mpi 2
#$ -j y

module load quantum-espresso/6.7

mpirun -np 2 /apps/qe/6.7/mvapich2-intel-2.2/bin/turbo_lanczos.x -inp benzene_tl.in > benzene_tl.out

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