For full performance HOOMD should be run on GPUs. It can be run on a CPU only but performance will not be comparable.

hoomd.sbatch demonstrates how to run the polymer_bmark.hoomd and lj_liquid_bmark.hoomd on a GPU device.


#SBATCH --time=0:10:00
#SBATCH --job-name=hoomd
#SBATCH --output=hoomd-%j.out
#SBATCH --partition=gpu
#SBATCH --gres=gpu:1

module load hoomd 

hoomd polymer_bmark.hoomd
hoomd lj_liquid_bmark.hoomd

The script can be submitted with this command:

sbatch hoomd.sbatch