Diffusion SCITAS examples on how to run on the clusters (master) Browse

scitas-examples/Modules/gaussian/advanded/job.gaussian-tiemout.slurm
57d264e76184master

job.gaussian-tiemout.slurm
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			#!/bin/bash
			#SBATCH -J gaussian
			#SBATCH --nodes=1
			#SBATCH --ntasks-per-node=8
			#SBATCH --mem=8000
			#SBATCH --time=00:10:00
			##SBATCH --signal=B:USR1@120

			module load gaussian/g09/D.01

			trap 'kill -s USR1 $PID' SIGUSR1

			g09_run test.inp > test.out &
			PID=$!

			wait ${PID}
			wait ${PID}