A Load Balancing Library

The library aims to provide an easy way to include dynamic domain-based load balancing into particle based simulation codes. The library is developed in the Simulation Laboratory Molecular Systems of the Jülich Supercomputing Centre at Forschungszentrum Jülich. Only a brief summary is given here and more information can be found in the official documentation such as a detailed API description, examples and further information regarding the load balancing methods.



AiiDA (Automated Interactive Infrastructure and Database for computational science) is a Python materials’ informatics framework to manage, store, share, and disseminate the workload of high-throughput computational efforts, while providing an ecosystem for materials simulations where complex scientific workflows involving different codes and datasets can be seamlessly implemented, automated and shared.

CoE: MaX