Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations-Reference-Cited by-同舟云学术

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Parallel implementation of 3D FFT with volumetric decomposition schemes for efficient molecular dynamics simulations

Published:2016-03 Issue: Volume:200 Page:57-65
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Jung Jaewoon,Kobayashi Chigusa,Imamura Toshiyuki,Sugita Yuji

Funder

High Performance Computing Infrastructure (HPCI) Strategic Program of the Ministry of Education, Culture, Sports, Science and Technology (MEXT)

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference28 articles.

1. An algorithm for the machine calculation of complex Fourier series

2. A smooth particle mesh Ewald method

3. Particle mesh Ewald: AnN⋅log(N) method for Ewald sums in large systems

4. A parallel FFT on an MIMD machine

5. The scalability of FFT on parallel computers

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1. 3D DFT by block tensor-matrix multiplication via a modified Cannon's algorithm: Implementation and scaling on distributed-memory clusters with fat tree networks;Journal of Parallel and Distributed Computing;2024-11

2. GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum Mechanics/Molecular Mechanics Models;The Journal of Physical Chemistry B;2024-06-14

3. Minimizing Communication in the Multidimensional FFT;SIAM Journal on Scientific Computing;2023-12-08

4. OpenFFT: An Adaptive Tuning Framework for 3D FFT on ARM Multicore CPUs;Proceedings of the 37th International Conference on Supercomputing;2023-06-21

5. Acceleration of generalized replica exchange with solute tempering simulations of large biological systems on massively parallel supercomputer;Journal of Computational Chemistry;2023-05-04

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