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#!/bin/bash
#SBATCH --time 12:00:00
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=24
#SBATCH --cpus-per-task=4
#SBATCH --time=06:00:00
#SBATCH --job-name=octopus
module load intel/2021.2 impi/2021.7.1 octopus/12.1
export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
export SLURM_CPU_BIND=none
mpirun octopus |
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