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SLURM Submit script example
More information about the submit script can be found using the Job Script Generator [old].
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#!/bin/bash
#SBATCH -J nwchem_example
#SBATCH -e nwchem_example.err
#SBATCH -o nwchem_example.out
#SBATCH -p std
#SBATCH -n 1
#SBATCH -t 02-00:00
module load apps/nwchem/6.8
##
# Modify the input and output files!
INPUT_FILE=nwchem_example.in
OUTPUT_FILE=nwchem_example.out
##
# You don't need to modify nothing more
cp -r ${SLURM_SUBMIT_DIR}/${INPUT_FILE} ${SCRATCH}
cd ${SCRATCH}
srun nwchem ${INPUT_FILE} > ${OUTPUT_FILE}
cp ./${OUTPUT_FILE} ${SLURM_SUBMIT_DIR} |
Sbatch options:
The options shown in the example are detailed below. For more information and a more comprehensive list of available options, see the sbatch command page.
- -J: Name for the job's allocation.
- -e: Name of the stderr redirection filename.
- -o: Name of the stdout redirection filename.
- -p: Name of the partition (queue) where the job will be submitted.
-n: Number of tasks.
- -c: Number of cores per task.
- -t: Set the job's time limit. If the job don't finish before the time runs out, it will be killed.