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Load Balanced Particle Simulation with Automated Algorithm Selection

In: High Performance Computing in Science and Engineering '20

Author

Listed:
  • 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)

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.

Suggested Citation

  • Philipp Neumann & Fabio Gratl & Steffen Seckler & Hans-Joachim Bungartz, 2021. "Load Balanced Particle Simulation with Automated Algorithm Selection," Springer Books, in: Wolfgang E. Nagel & Dietmar H. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering '20, pages 503-511, Springer.
    • Handle: RePEc:spr:sprchp:978-3-030-80602-6_33
    DOI: 10.1007/978-3-030-80602-6_33
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