Excerpt | |||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
Code Block | ||||||
---|---|---|---|---|---|---|
| ||||||
#!/bin/bash #SBATCH -J westpa_example #SBATCH -e westpa_example.%j.err #SBATCH -o westpa_example.%j.out #SBATCH -p std #SBATCH -n 1 #SBATCH -t 0-02:00 module load apps/westpa/2017.10 module load apps/gromacs/2018.1 ## # Modify the input and output files! cp -r ${SLURM_SUBMIT_DIR}/{init.sh,run.sh} ${SCRATCH} cd ${SCRATCH} srun init.sh >& init.out srun run.sh >& run.out cp ./{init.out,run.out} ${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.