Event Details
Event Date: Tuesday, November 17th, 14:00.Location: Online.
Towards Algorithm Selection for High-Performance Discrete Element Method Simulations
Speaker: Samuel Newcome
Affiliation: School of Computation, Information and Technology; Technical University of Munich
Samuel obtained a Bachelor’s and Master’s in Mathematical Sciences and Modern Applications in Mathematics, respectively, at the University of Bath. Since 2022, he has been working as scientific staff in the group of Prof. Bungartz at the Chair of Scientific Computing in Computer Science at the Technical University of Munich; officially a doctoral candidate since 2024.
Abstract
In short-range N-body simulations, such as the Discrete Element Method (DEM) and Molecular Dynamics (MD), the majority of a simulation’s computational cost typically comes from contact detection and force calculation between particle pairs. As such, many algorithms have been developed for efficient, parallelised contact detection and force calculation.
In MD, it has been found that the optimal algorithm is simulation-dependent, and an optimal algorithm for one simulation could perform an order of magnitude or more slower than the optimal algorithm for another simulation. The optimal algorithm can also change during a simulation and across different spatial regions of a simulation. This led to the development of AutoPas, a particle simulation backend that aims to select and configure the optimal algorithm at runtime from an extensive algorithm library.
In this talk, we will introduce the motivation for AutoPas, some of its algorithms, its methods for algorithm selection, and more recent work extending its algorithm library for polydisperse DEM simulation.
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