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>mpiexec</code> to run VASP.
*The above job uses <code>srun</code> to run VASP.


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