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Among the algorithms that are likely to play a major role in future exascale computing, the fast multipole method (FMM) appears as a rising star. Our previous recent work showed scaling of an FMM on GPU clusters, with problem sizes in the…

Numerical Analysis · Computer Science 2012-10-30 Rio Yokota , Lorena Barba

The approximate computation of all gravitational forces between $N$ interacting particles via the fast multipole method (FMM) can be made as accurate as direct summation, but requires less than $\mathcal{O}(N)$ operations. FMM groups…

Instrumentation and Methods for Astrophysics · Physics 2014-05-12 Walter Dehnen

We present efficient algorithms to build data structures and the lists needed for fast multipole methods. The algorithms are capable of being efficiently implemented on both serial, data parallel GPU and on distributed architectures. With…

Mathematical Software · Computer Science 2013-01-10 Qi Hu , Nail A. Gumerov , Ramani Duraiswami

This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…

Numerical Analysis · Computer Science 2012-10-30 R. Yokota , L. A. Barba , T. Narumi , K. Yasuoka

Exascale systems are predicted to have approximately one billion cores, assuming Gigahertz cores. Limitations on affordable network topologies for distributed memory systems of such massive scale bring new challenges to the current parallel…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-05-27 Huda Ibeid , Rio Yokota , David Keyes

The Fast Multipole Method (FMM) offers an acceleration for pairwise interaction calculation, known as $N$-body problems, from $\mathcal{O}(N^2)$ to $\mathcal{O}(N)$ with $N$ particles. This has brought dramatic increase in the capability of…

Data Structures and Algorithms · Computer Science 2011-09-21 Felipe A. Cruz , L. A. Barba

This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

While fast multipole methods (FMMs) are in widespread use for the rapid evaluation of potential fields governed by the Laplace, Helmholtz, Maxwell or Stokes equations, their coupling to high-order quadratures for evaluating layer potentials…

Numerical Analysis · Mathematics 2021-04-26 Leslie Greengard , Michael O'Neil , Manas Rachh , Felipe Vico

RPYFMM is a software package for the efficient evaluation of the potential field governed by the Rotne-Prager-Yamakawa (RPY) tensor interactions in biomolecular hydrodynamics simulations. In our algorithm, the RPY tensor is decomposed as a…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-04 W. Guan , X. Cheng , J. Huang , G. Huber , W. Li , J. A. McCammon , B. Zhang

Fast algorithms for the computation of $N$-body problems can be broadly classified into mesh-based interpolation methods, and hierarchical or multiresolution methods. To this last class belongs the well-known fast multipole method (FMM),…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-21 Felipe A. Cruz , Matthew G. Knepley , L. A. Barba

The fast multipole method (FMM) has received growing attention in the beam physics simulation. In this study, we formulate an interpolation-based FMM for the computation of the relativistic space-charge field. Different to the…

Computational Physics · Physics 2023-07-19 Yi-Kai Kan , Franz X. Kärtner , Sabine Le Borne , Jens-Peter M. Zemke

This paper introduces a parallel directional fast multipole method (FMM) for solving N-body problems with highly oscillatory kernels, with a focus on the Helmholtz kernel in three dimensions. This class of oscillatory kernels requires a…

Numerical Analysis · Mathematics 2018-01-08 Austin R. Benson , Jack Poulson , Kenneth Tran , Björn Engquist , Lexing Ying

In this paper, we use multithreaded fast Fourier transforms provided in three highly optimized packages, FFTW-2.1.5, FFTW-3.3.7, and Intel MKL FFT, to present a novel model-based parallel computing technique as a very effective and portable…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-17 Semyon Khokhriakov , Ravi Reddy , Alexey Lastovetsky

The Fast Multipole Method (FMM) reduces the computation of pairwise two-body interactions among $N$-particles to order $N$, whose computation cost should be of order $N^2$ by brute force. However, its implementation is somewhat complicated…

Computational Physics · Physics 2020-09-03 Yasuhiro Kajima

We present FlowPM, a Particle-Mesh (PM) cosmological N-body code implemented in Mesh-TensorFlow for GPU-accelerated, distributed, and differentiable simulations. We implement and validate the accuracy of a novel multi-grid scheme based on…

Cosmology and Nongalactic Astrophysics · Physics 2020-10-23 Chirag Modi , Francois Lanusse , Uros Seljak

An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in Cartesian…

Computational Physics · Physics 2015-05-13 Wen Zhang , Stephan Haas

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Computational Physics · Physics 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

Traditional heterogeneous parallel algorithms, designed for heterogeneous clusters of workstations, are based on the assumption that the absolute speed of the processors does not depend on the size of the computational task. This assumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-15 Alexey Lastovetsky , Ravi Reddy , Vladimir Rychkov , David Clarke

We propose an efficient algorithm for the evaluation of the potential and its gradient of gravitational/electrostatic $N$-body systems, which we call particle mesh multipole method (PMMM or PM$^3$). PMMM can be understood both as an…

Instrumentation and Methods for Astrophysics · Physics 2014-10-20 Keigo Nitadori

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki
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