Containerized Jupyter Notebooks for HPCs

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This tutorial demonstrates how to create, manage, and deploy containerized Jupyter simulations for High-Performance Computing (HPC) environments, specifically using SLAC's S3DF infrastructure. By utilizing Apptainer (formerly Singularity) containers, users can package complex simulations with all necessary dependencies, input files, and configurations, ensuring reproducibility and ease of use for new users. The automated workflows, powered by GitHub Actions, handle building and updating the containers, while Open OnDemand provides an accessible interface for running Jupyter notebooks directly from the HPC environment. This approach eliminates setup errors, saves time, and ensures consistent simulation environments, enabling researchers to focus on their work instead of system configuration.

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Category

learning

Skill Level

Intermediate