Performance of the 3D FFT on the 6D network torus QCDOC parallel supercomputer

DOI10.1016/J.CPC.2006.12.006MaRDI QIDQ710047zbMATHOpenAlexFDO

Authors Bin Fang, Yuefan Deng, Glenn J. Martyna

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2006.12.006

zbMATH Keywords

FFTmolecular dynamics simulationlong-range interactionparallel efficiencyab initio calculationblue matterstrong scalability

Mathematics Subject Classification ID

Computer aspects of numerical algorithms (65Y99) Parallel algorithms in computer science (68W10) Numerical methods for discrete and fast Fourier transforms (65T50)

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Cites work

• scientific article; zbMATH DE number 3115573 (Why is no real title available?)
• scientific article; zbMATH DE number 41859 (Why is no real title available?)
• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 53687 (Why is no real title available?)
• scientific article; zbMATH DE number 3584892 (Why is no real title available?)
• scientific article; zbMATH DE number 839542 (Why is no real title available?)
• A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: application to the 6-D torus QCDOC supercomputer
• Comments on P\(^3\)M, FMM, and the Ewald method for large periodic Coulombic systems
• Parallel fast Fourier transforms for electronic structure calculations
• The Future Fast Fourier Transform?

Cited in

(3)

• Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations
• A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: application to the 6-D torus QCDOC supercomputer
• Multi-axis decomposition of density functional program for strong scaling up to 82,944 nodes on the K computer: compactly folded 3D-FFT communicators in the 6D torus network

Describes a project that uses

Uses Software

• FFTW
• DL_POLY

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