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Old Version 4

changes.mady.by.user Lucija Vrban

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New Version 5

changes.mady.by.user Kristijan Mrkalj

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Code Block
languagebash
themeConfluence
titlerun.sge
linenumberstrue
#!/bin/bash

#$ -N lammps
#$ -cwd
#$ -pe *mpi 8

export OMP_NUM_THREADS=8${NSLOTS}

module load lammps/23Jun2022

mpirun -np ${NSLOTS} lmp -sf intel -in in.chain -pk intel 0 mode double

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