Please review

[willirath]

@ExaESM-WP4 This repo contains a minimal example for a unified working environment in the cloud (on https://mybinder.org) and on HPC.

[bne86]

Hi Willi,
I gave it a try.

I had to use singularity pull docker://exaesmwp4/containerized-jupyter-on-hpc:latest before starting the container, because on our systems we currently only allow Container images from a specific path. You will find some minimalistic documentation, which is currently not added to the official documentation, at our gitlab. WIP!
You have access to your user-based directory on both JUWELS and JURECA.

cd /p/fastdata/singularity/user-based/vonstvieth1/
singularity pull docker://exaesmwp4/containerized-jupyter-on-hpc:latest
mkdir tmp
srun -N1 -p develgpus --gres gpu:1 --pty singularity run -B /p/fastdata/singularity/user-based/vonstvieth1/tmp:/run/user --nv /p/fastdata/singularity/user-based/vonstvieth1/containerized-jupyter-on-hpc_latest.sif

This is spawning a container which should have GPU support via Slurm on a Compute.
You might change partition, gres and remove the --nv if you want.

With respect to tmp, when you create tmp on demand this is not known on the compute. I would expect the command line is interpreted on the login system and a tmp directory there does not help on the compute.

The http forwarding via SSH I did not test based on the documentation, because I have a existing SOCKS via SSH and Firefox. Anyway the Jupyter dashboard was available.

I assume you are aware of our jupyter-jsc but it does not fit your needs and is not applicable to all the ExaESM sites?

[willirath]

Thanks Benedikt, this is very helpful.

Regarding the JupyterHub at JSC: In the long run, we should work towards the JupyterHub being used for this. For now, however, I think it's much easier to develop these kinds of workflows with all the moving parts being explicit and easy to inspect.

My next steps will be to adapt the current "recipe" to the singularity specifics at JSC, and to document the analogous workflow at HLRN (and possibly AWI).