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.2007.01.011zbMath1196.82047OpenAlexW2065989007MaRDI QIDQ710178

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

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

Related Items (1)

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

Uses Software

• CHARM++

Cites Work

• Performance of the 3D FFT on the 6D network torus QCDOC parallel supercomputer
• Comments on P\(^3\)M, FMM, and the Ewald method for large periodic Coulombic systems
• Fast parallel algorithms for short-range molecular dynamics
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