There are numerous developer docs. Below is a suggested order in which to read them.
- Tutorial: Follow the tutorial to get a flavour of what a virtual experiment is and how to write and run one.
- Project Structures: This document describes the ways you can arrange and store the various files you need when writing a virtual experiment.
- Getting Application Images: Explains how you can find container images for applications you can use in your experiment e.g. NAMD, GAMESS.
- Best Practices: Follow these from the start to make life easier.
- Virtual Experiment Specification: Reference on
- Debugging Experiments: Things will go wrong. This describes how you can use the terminal and
occommands to examine and debug your virtual experiment.
- Controlling Restart Behaviour: Often you will need components to run longer than scheduling windows allow and they may need complex actions to restart correctly. This document explains how to do this.
- Writing Virtual Experiment Interfaces: How to make your experiment easy to consume by researchers and also automated tools.
- Creating a Parameterised Package - You’ve got a great experiment. Share it with the community!