Load Balanced Particle Simulation with Automated Algorithm Selection

Philipp Neumann (), Fabio Gratl (), Steffen Seckler () and Hans-Joachim Bungartz ()
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Philipp Neumann: Helmut-Schmidt-Universität Hamburg, Department of Mechanical Engineering
Fabio Gratl: Technical University of Munich, Department of Informatics
Steffen Seckler: Technical University of Munich, Department of Informatics
Hans-Joachim Bungartz: Technical University of Munich, Department of Informatics

A chapter in High Performance Computing in Science and Engineering '20, 2021, pp 503-511 from Springer

Abstract: Abstract ls1 mardyn is a molecular dynamics (MD) simulation framework for multiphase and multicomponent investigations at small scales with application in process engineering. AutoPas is a library that employs auto-tuning for various particle simulation algorithms, data structures, and node-level parallelization patterns. In the last year, we have focussed on improving the interfaces of AutoPas to support massively parallel, distributed-memory simulations. In this scope, we have revised the incorporation of AutoPas into ls1 mardyn and extended ls1 mardyn by diffusive load balancing.

Date: 2021
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DOI: 10.1007/978-3-030-80602-6_33

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