Molecular dynamics beyonds the limits: Massive scaling on 72 racks of a BlueGene/P and supercooled glass dynamics of a 1 billion particles system

DOI10.1016/J.JCP.2012.01.019zbMath1245.82001arXiv1105.5613OpenAlexW2094677304MaRDI QIDQ417877

Andrea Fratalocchi, Nicholas Allsopp, Giancarlo Ruocco

Publication date: 14 May 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1105.5613

zbMATH Keywords

molecular dynamicsbillions-body molecular dynamics (BBMD) packagelarge scale parallel computingsupercooled liquidsthermodynamics of glasses

Mathematics Subject Classification ID

Phase transitions (general) in equilibrium statistical mechanics (82B26) Dynamic continuum models (systems of particles, etc.) in time-dependent statistical mechanics (82C21) Parallel numerical computation (65Y05) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Statistical thermodynamics (82B30)

Uses Software

• MersenneTwister

Cites Work

• Mersenne twister
• The Art of Molecular Dynamics Simulation
• Unnamed Item

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