This post is about setting up a HPC cluster that runs computational tasks with a scheduler conforming to the Distributed Resource Management Application API (DRMAA) and has a shared filesystem (NFS) of all master and slave nodes. This includes Grid Engine (SGE). Out of all available Python high-level abstraction frameworks …

In developing Python scripts and packages for computational research, we distinguish two different routes to openness. The gold standard is you develop your code in the open right away. This means creating a public repository on a public version-control repository service like GitHub and regularly pushing all commits there. The …

Doing computational research in a reproducible manner requires some effort in the first place. The good news is, project organisation and collaboration come almost for free.

This series provides some guidance in setting up an individual or collaborative computational research project that leads to a specific scientific output. Project and …