Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations
type: Item
instance of: scholarly article
title: Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations
zbMATH Open document ID: 1352.65660
author: Jaewoon Jung
author: Chigusa Kobayashi
author: Toshiyuki Imamura
author: Yuji Sugita
published in: Computer Physics Communications
publication date: 2016-12-14T00:00:00Z
Mathematics Subject Classification ID: 65T50
Mathematics Subject Classification ID: 65Y05
zbMATH DE Number: 6663144
zbMATH Keywords: fast Fourier transform (FFT)
zbMATH Keywords: volumetric decomposition
zbMATH Keywords: molecular dynamics (MD) simulation
zbMATH Keywords: particle mesh Ewald (PME) calculation
zbMATH Keywords: midpoint cell method
zbMATH Keywords: hybrid (MPI+OpenMP) parallelization
Wikidata QID: Q62846539
describes a project that uses: PFFT
describes a project that uses: 2DECOMP
MaRDI profile type: Publication
full work available at URL: j.cpc.2015.10.024
OpenAlex ID: W2115400927
cites work: An Algorithm for the Machine Calculation of Complex Fourier Series
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cites work: Scalable parallel FFT for spectral simulations on a Beowulf cluster
cites work: PFFT: An extension of FFTW to massively parallel architectures
cites work: P3DFFT: A Framework for Parallel Computations of Fourier Transforms in Three Dimensions
cites work: Performance of the 3D FFT on the 6D network torus QCDOC parallel supercomputer
cites work: An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations
DOI: 10.1016/J.CPC.2015.10.024
description: scientific article