C++ HPC Tutorial

Instructions

Pre-requisites

To build the container locally, a properly configured container runtime is required. Both Docker and Singularity containers are supported.

The containers are generated from a single single description at /ci/recipe.py using the [HPC Container Maker][HPCCM] Python application, which requires a Python installation and can be installed with pip:

pip3 install --user hpccm

After installation, the hpccm binary should be on your path:

hpccm --version

If this fails, check that the path at which pip installs python binaries, usually PYTHONPATH is in your PATH:

# You can add it to your PATH as follows:
PATH=$PATH:$PYTHONPATH

Building container and serving Jupyter Notebooks

To build the container and start the Jupter notebook webserver locally here are the instructions for Docker and Singularity. The Jupyter notebook webserver provides an URL that can be used to connect to it from a webbrowser. When running it on a cluster, one might need to use SSH port forwarding to forward a local port to the compute node.

[HPCCM]:

Docker

./ci/run docker-build
./ci/run docker-serve

Singularity

./ci/run singularity-build
./ci/run singularity-serve