Running processes#

In this section you can find modules that explain the concepts and steps related to running processes (calculations and workflows) in AiiDA.

Running calculations

This base module will take you through the procedures for running your first calculation job with Quantum ESPRESSO. You will learn how to prepare the inputs for the calculation, submit it to the engine, follow its status, and analyze its results.

Alternatives: VASP

Troubleshooting

This module will highlight some of the common issues that can happen when submitting calculations and how to deal with them.

Running workflows

Once you know how to submit calculations, you can learn how to launch workflows in this module.