Pulling, running and building containerized HPC applications

Start an interactive job

$ srun -N1 -n2 -t1:00:00 -p interactive --reservation=rtworkshop --pty bash ## You will start an interactive session on interactive partition with 2 cores and 2-hour walltime.

--reservation=rtworkshop is only valid during the workshop. You do not need it in your future commands.

Singularity

For your convenience, please always use the singularity module when you need to pull or run containers on the HPC system. There is no need to use the older singularity modules. As of January 24th, 2024, the latest version available on our cluster is 3.8.4. In case we deploy newer versions of singularity in the future, please make sure to use the latest versions.

It is highly recommended to run module purge before loading singularity.

$ module purge
$ module load singularity/3.8.4
$ module list
  1) squashfs/4.4                 2) singularity/3.8.4(default)

It is worth mentioning two points:

Apptainer

Our cluster currently has two groups of apptainer modules: one with -suid and the other with -no-suid. We understand that this might be confusing for users, and we are exploring the best practices to manage both singularity and apptainer on the same cluster. However, we may ultimately decide to keep only apptainer on the cluster.

To avoid confusion, we recommend using apptainer only when building containers on the interactive partition, and using the -no-suid version exclusively. As of January 24th, 2024, version 1.2.5-no-suid is the latest available version.

$ module purge
$ module load apptainer/1.2.5-no-suid

Next: Singularity pull