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VASP: Difference between revisions
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#SBATCH --mem=3GB # memory | #SBATCH --mem=3GB # memory | ||
#SBATCH --time=0-00:05 # time (DD-HH:MM) | #SBATCH --time=0-00:05 # time (DD-HH:MM) | ||
module load vasp/<VERSION> | module load intel/2020.1.217 cuda/11.0 openmpi/4.0.3 vasp/<VERSION> | ||
srun <VASP> | srun <VASP> | ||
}} | }} | ||
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*The above job script requests one CPU core and 1024MB memory. | *The above job script requests one CPU core and 1024MB memory. | ||
*The above job script requests one GPU type p100 which is only available on Cedar. For other clusters, please see the [[Using GPUs with Slurm#Available_hardware|GPU types available]]. | *The above job script requests one GPU type p100 which is only available on Cedar. For other clusters, please see the [[Using GPUs with Slurm#Available_hardware|GPU types available]]. | ||
*The above job uses <code> | *The above job uses <code>srun</code> to run VASP. | ||
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