remote Jupyter Lab on Frontera

[Aangniu]

1 It seems that the current tacc-apptainer module on Frontera does not support 'sigularity' as the command. But 'apptainer' serves the purpose. 2 It seems the current docker will automatically build a singularity container. I tested that it can also be used. So I add the following suggestion to the frontera.md You can also use the automatically generated container after pulling the docker container

module load tacc-apptainer
apptainer pull -F docker://seissol/training:latest
apptainer run training_latest.sif

3 I change the name of 'northridge/northridge_resampled.srf' to 'northridge/northridge_resampled.nrf'.

[Aangniu]

I will test the generated docker and get back to confirm the changes are valid.

[wangyinz]

The apptainer module still has the singularity command and it is simply a symbolic link to the apptainer binary, so it is fine to call any of those singularity commands. Still, I think it is less confusing to update that and use apptainer directly.

$ ls -l /opt/apps/tacc-apptainer/1.1.8/bin
total 50892
-rwxr-xr-x 1 root root 52107416 May  2  2023 apptainer
-rwxr-xr-x 1 root root     1455 May  2  2023 run-singularity
lrwxrwxrwx 1 root root        9 May 10  2023 singularity -> apptainer

[Aangniu]

Thanks for commenting on this @wangyinz ! I checked again. You are right, the 'singularity' command also works.

[sebwolf-de]

Apptainer is the new name, so I'd like to use apptainer wherever possible, such that we have forward compability.

[Aangniu]

I added the job.jupyter for accessing jupyter notebook on Frontera with local machine.

[Aangniu]

The environment for visualization is installed while creating the jupyter environment in job.jupyter with

pip install vtk pyvista

[AliceGabriel]

@sebwolf-de we would like to merge this one before the training tomorrow