diff --git a/docs/software/sciapps/lammps.md b/docs/software/sciapps/lammps.md index 383950e0..fc5069a1 100644 --- a/docs/software/sciapps/lammps.md +++ b/docs/software/sciapps/lammps.md @@ -71,9 +71,7 @@ A development view is also provided, which contains all libraries and command-li ### Running LAMMPS with Kokkos on the HPC Platform -To start a job, two bash scripts are potentially required: a [SLURM] submission script, and a wrapper for `numactl` which sets up CPU and memory binding. - -The submission script is the following: +To start a job, the following bash [SLURM] submission script is required: ```bash title="run_lammps_kokkos.sh" #!/bin/bash -l @@ -81,9 +79,7 @@ The submission script is the following: #SBATCH --time=01:00:00 (1) #SBATCH --nodes=2 #SBATCH --ntasks-per-node=4 (2) -#SBATCH --gpus-per-node=4 #SBATCH --gpus-per-task=1 -#SBATCH --gpu-bind=per_task:1 #SBATCH --account= (3) #SBATCH --uenv=:/user-environment (4) #SBATCH --view=kokkos (5)