A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: application to the 6-D torus QCDOC supercomputer

DOI10.1016/J.CPC.2007.01.011MaRDI QIDQ710178zbMATH OpenOpenAlexFDO

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.2007.01.011

zbMATH Keywords

3D-FFTbiomolecular simulationsparticle mesh Ewald

Mathematics Subject Classification ID

Computational methods for problems pertaining to biology (92-08) Biophysics (92C05)

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Cites work

• 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 52869 (Why is no real title available?)
• Comments on P\(^3\)M, FMM, and the Ewald method for large periodic Coulombic systems
• Fast parallel algorithms for short-range molecular dynamics
• Performance of the 3D FFT on the 6D network torus QCDOC parallel supercomputer

Cited in

(1)

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

Describes a project that uses

Uses Software

• CHARM++

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