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#!/bin/bash

#PBS -q cpu
#PBS -l select=48
#PBS -N abinit

MPI_NUM_PROCESSES=$(cat ${PBS_NODEFILE} | wc -l)

cd ${PBS_O_WORKDIR}

module load scientific/abinit/9.8.4-gnu

mpiexec -n ${MPI_NUM_PROCESSES} abinit tbase3_1.abi