Delta (NCSA)#
Delta is an HPC cluster at NCSA with GPU and CPU nodes. Apply for resources on Delta through the ACCESS program.
The glotzerlab-software image and the singularity cache are large, store them in your scratch directory:
$ cd /scratch/<your-account>/$USER/
$ export APPTAINER_CACHEDIR=/scratch/<your-account>/$USER/.apptainer
Note
Replace <your-account>
with your NCSA account name.
Download the image with support for Delta:
$ singularity pull software.sif docker://glotzerlab/software:delta
Use the following commands in your job scripts or interactively to execute software inside the container:
Note
Replace command arguments
with the command and arguments you wish to run. For example:
python3 script.py
.
Serial (or multithreaded) CPU jobs (cpu
partition):
module load gcc/11.4.0 openmpi/4.1.6
mpirun -n 1 singularity exec --bind /scratch /scratch/<your-account>/$USER/software.sif command arguments
Single GPU jobs (gpuA100x4
and similar partitions):
module load gcc/11.4.0 openmpi/4.1.6
mpirun -n 1 singularity exec --nv --bind /scratch /scratch/<your-account>/$USER/software.sif command arguments
MPI parallel CPU jobs (cpu
partition with more than 1 core):
module load gcc/11.4.0 openmpi/4.1.6
mpirun singularity exec --bind /scratch /scratch/<your-account>/$USER/software.sif command arguments
MPI parallel GPU jobs (gpuA100x4
and similar partitions with more than 1 GPU):
module load gcc/11.4.0 openmpi/4.1.6
mpirun singularity exec --nv --bind /scratch /scratch/<your-account>/$USER/software.sif command arguments