Fast electrostatic force calculation on parallel computer clusters

DOI10.1016/J.JCP.2008.06.016MaRDI QIDQ947894zbMATH OpenOpenAlexFDO

Authors Amirali Kia, Daejoong Kim, Eric Darve

Publication date 8 October 2008

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

Full work available at URL https://doi.org/10.1016/j.jcp.2008.06.016

zbMATH Keywords

parallel algorithmfast multipole methodplane waveparticle mesh Ewald

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Electro- and magnetostatics (78A30) Numerical methods for discrete and fast Fourier transforms (65T50)

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Cites work

• scientific article; zbMATH DE number 41859 (Why is no real title available?)
• scientific article; zbMATH DE number 1069612 (Why is no real title available?)
• scientific article; zbMATH DE number 1082719 (Why is no real title available?)
• A fast adaptive multipole algorithm in three dimensions
• A fast algorithm for particle simulations
• A new version of the fast multipole method for screened Coulomb interactions in three dimensions
• A parallel version of the fast multipole method
• Communications overlapping in fast multipole particle dynamics methods
• Efficient fast multipole method for low-frequency scattering
• Fast algorithms for classical physics
• Generalized Gaussian Quadratures and Singular Value Decompositions of Integral Operators
• Load balancing and data locality in adaptive hierarchical \(N\)-body methods: Barnes-Hut, fast multipole, and radiosity
• Massively parallel implementation of a fast multipole method for distributed memory machines
• Provably Good Partitioning and Load Balancing Algorithms for Parallel Adaptive N-Body Simulation
• The Fast Multipole Method I: Error Analysis and Asymptotic Complexity
• The fast multipole method: Numerical implementation

Cited in

(9)

• Fast analytical evaluation of intermolecular electrostatic interaction energies using the pseudoatom representation of the electron density. I: The Löwdin \(\alpha\)-function method
• A method to compute periodic sums
• Cyclically parallelized treecode for fast computations of electrostatic interactions on molecular surfaces
• Communications overlapping in fast multipole particle dynamics methods
• Parallel multigrid summation for the \(N\)-body problem
• A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: application to the 6-D torus QCDOC supercomputer
• Efficient parallel implementation of Ewald summation in molecular dynamics simulations on multi-core platforms
• HSMA: an \(O(N)\) electrostatics package implemented in LAMMPS
• An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations

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