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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.

CoE: E-CAM

AiiDA

AiiDA 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 codes are automatically optimised on the relevant hardware platforms, and complex scientific workflows involving different codes and datasets can be seamlessly implemented and shared.

CoE: MaX