An extension to VORO++ for multithreaded computation of Voronoi cells

Abstract

VORO++ is a software library written in C++ for computing the Voronoi tessellation, a technique in computational geometry that is widely used for analyzing systems of particles. VORO++ was released in 2009 and is based on computing the Voronoi cell for each particle individually. Here, we take advantage of modern computer hardware, and extend the original serial version to allow for multithreaded computation of Voronoi cells via the OpenMP application programming interface. We test the performance of the code, and demonstrate that we can achieve parallel efficiencies greater than 95% in many cases. The multithreaded extension follows standard OpenMP programming paradigms, allowing it to be incorporated into other programs. We provide an example of this using the VoroTop software library, performing a multithreaded Voronoi cell topology analysis of up to 102.4 million particles.

arXiv commentFix typo and section numbers

References in corpus (18)

• Structure identification methods for atomistic simulations of crystalline materials
• Jammed Hard-Particle Packings: From Kepler to Bernal and Beyond
• Analysis of Granular Flow in a Pebble-Bed Nuclear Reactor
• What do we learn from the local geometry of glass-forming liquids?
• Cooperative Motion of Active Brownian Spheres in Three-Dimensional Dense Suspensions
• A Topological Framework for Local Structure Analysis in Condensed Matter
• Voronoi cell analysis: The shapes of particle systems
• Using 3D Voronoi grids in radiative transfer simulations
• Complete topology of cells, grains, and bubbles in three-dimensional microstructures
• Statistical Topology of Three-Dimensional Poisson-Voronoi Cells and Cell Boundary Networks
• VoroTop: Voronoi Cell Topology Visualization and Analysis Toolkit
• Local origins of volume fraction fluctuations in dense granular materials
• Characterization of maximally random jammed sphere packings: Voronoi correlation functions
• Fluidization and wall slip of soft-glassy materials by controlled surface roughness
• Topological Characterization of Rigid-Nonrigid Transition across the Frenkel Line
• Topological generalization of the rigid-nonrigid transition in soft-sphere and hard-sphere fluids
• Statistical Topology of Perturbed Two-Dimensional Lattices
• Voronoi chains, blocks, and clusters in perturbed square lattices

Cited by in corpus (4)

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• Characterizing structural features of two-dimensional particle systems through Voronoi topology