MARVEL/Psi-k/MaX tutorial on high-throughput computations: general methods and applications using AiiDA - Lausanne, June 2016
Video recordings and educational material from the tutorial held in June 2016 in Lausanne using AiiDA v0.6.0.
Introduction to AiiDA (Lausanne, June 2016)
Date: June 22, 2016
Description: AiiDA (Automated Interactive Infrastructure and Database for Computational Science) is a flexible and scalable informatics' infrastructure to manage, preserve, and disseminate the simulations, data, and workflows of modern-day computational science. This video provides a general view of the principles of AiiDA as well as its features and capabilities.
The basic graph of AiiDA (Lausanne, June 2016)
Date: June 22, 2016
Description: Description of a basic AiiDA graph built around a Quantum ESPRESSO calculation.
The AiiDA QueryBuilder (Lausanne, June 2016)
Date: June 23, 2016
Description: Introduction to the usage of QueryBuilder: the AiIDA tool to perform queries to your databases of simulations.
The AiiDA Workflows (Lausanne, June 2016)
Date: June 23, 2016
Description: Introduction to Workflows: the AiiDA framework to abstract the logic of structured calculations for automating your simulations.
NB!: some parts of the workflow syntax described in this video have changed since this event. You should refer to a more recent video in this section instead.
Installation of AiiDA (Lausanne, June 2016)
Date: June 24, 2016
Description: Tutorial on the manual installation of AiiDA and first configuration of computers and codes within the AiiDA platform.
The AiiDA plugins (Lausanne, June 2016)
Date: June 24, 2016
Description: Introduction to the plugin to couple simulation codes to AiiDA: structure of the plugins and overview of their basic components, design principles, good practices of implementation, documentation and distribution of the plugins.