Orientation

Getting started

• Tutorial: Follow the tutorial to get a flavour of what a virtual experiment is and how to write and run one.

Writing your own experiment

• 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 FlowIR language elements.

Advanced topics

• Debugging Experiments: Things will go wrong. This describes how you can use the terminal and oc commands 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.

Sharing your experiments with others

• Creating a Parameterised Package - You’ve got a great experiment. Share it with the community!