SLURM Submit script example
For more information use the Job Script Generator.
vasp_example.slm
#!/bin/bash #SBATCH -J vasp_example #SBATCH -e vasp_example.err #SBATCH -o vasp_example.out #SBATCH -p std #SBATCH -N 1 #SBATCH --ntasks=8 module load apps/vasp/5.4.4 ulimit -s unlimited INPUT_DIR=${PWD} OUTPUT_DIR=${PWD} INPUT_FILES=$(ls ${INPUT_DIR}/{INCAR,KPOINTS,POTCAR,POSCAR}) cp $INPUT_FILES $SCRATCH cd $SCRATCH mpirun -np $SLURM_NTASKS `which vasp_std` cp ./* $OUTPUT_DIR
Sbatch options:
-J: Specify a name for the job allocation. The default is the name of the batch script.
- -e: Specify a name for the error output file.
- -o: Specify a name for the output file.
- -p: Specify the name of the partition (queue) where the job will be submited. The default is std.
- -N: Number of nodes requested for allocation.
- --ntasks: Number of processes requested for allocation.
- --mem: Total amount of memory allocated.