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We test the performances of two different approaches to the computation of forces for molecular dynamics simulations on Graphics Processing Units. A "vertex-based" approach, where a computing thread is started per particle, is compared to a…

Computational Physics · Physics 2014-10-01 Lorenzo Rovigatti , Petr Šulc , István Z. Reguly , Flavio Romano

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 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

In this work we present a technique of fast numerical computation for solutions of Navier-Stokes equations in the case of flows of industrial interest. At first the partial differential equations are translated into a set of nonlinear…

Numerical Analysis · Mathematics 2007-07-11 Gianluca Argentini

We propose a novel Particle Flow Map (PFM) method to enable accurate long-range advection for incompressible fluid simulation. The foundation of our method is the observation that a particle trajectory generated in a forward simulation…

Graphics · Computer Science 2024-05-17 Junwei Zhou , Duowen Chen , Molin Deng , Yitong Deng , Yuchen Sun , Sinan Wang , Shiying Xiong , Bo Zhu

The nonuniform fast Fourier transform (NUFFT) enables spectral methods for problems with irregularly spaced samples, with applications in medical imaging, molecular dynamics, and kinetic plasma simulations. Existing implementations are…

Computational Engineering, Finance, and Science · Computer Science 2026-05-12 Paul Fischill , Andreas Adelmann , Sriramkrishnan Muralikrishnan

To study the dynamics of particles in turbulence when their sizes are comparable to the smallest eddies in the flow, the Kolmogorov length scale, efficient and accurate numerical models for the particle-fluid interaction are still missing.…

Fluid Dynamics · Physics 2018-02-28 Toshiaki Fukada , Walter Fornari , Luca Brandt , Shintaro Takeuchi , Takeo Kajishima

We present a computational method for extreme-scale simulations of incompressible turbulent wall flows at high Reynolds numbers. The numerical algorithm extends a popular method for solving second-order finite differences Poisson/Helmholtz…

Fluid Dynamics · Physics 2025-08-07 Rafael Diez Sanhueza , Jurriaan Peeters , Pedro Costa

This paper is concerned with the numerical investigation of Quantum Turbulence (QT) described by the Gross-Pitaevskii (GP) equation. Numerical simulations are performed using a parallel (MPI-OpenMP) code based on a pseudo-spectral spatial…

Since numerical computing with MATLAB offers a wide variety of advantages, such as easier developing and debugging of computational codes rather than lower-level languages, the popularity of this tool is significantly increased in the past…

Plasma Physics · Physics 2022-11-11 Shayan Dodge , Mojtaba Shafiee , Babak Shokri

We propose a CPU-GPU heterogeneous computing method for solving time-evolution partial differential equation problems many times with guaranteed accuracy, in short time-to-solution and low energy-to-solution. On a single-GH200 node, the…

Computational Engineering, Finance, and Science · Computer Science 2024-10-01 Tsuyoshi Ichimura , Kohei Fujita , Muneo Hori , Lalith Maddegedara , Jack Wells , Alan Gray , Ian Karlin , John Linford

In this paper, we propose a novel method to compute triangle counting on GPUs. Unlike previous formulations of graph matching, our approach is BFS-based by traversing the graph in an all-source-BFS manner and thus can be mapped onto GPUs in…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-09-06 Leyuan Wang , John D. Owens

Exascale High Performance Computing (HPC) represents a tremendous opportunity to push the boundaries of Computational Fluid Dynamics (CFD), but despite the consolidated trend towards the use of Graphics Processing Units (GPUs),…

The present paper addresses the numerical solution of turbulent flows with high-order discontinuous Galerkin methods for discretizing the incompressible Navier-Stokes equations. The efficiency of high-order methods when applied to…

Fluid Dynamics · Physics 2018-08-29 Niklas Fehn , Wolfgang A. Wall , Martin Kronbichler

Simulations of physical phenomena are essential to the expedient design of precision components in aerospace and other high-tech industries. These phenomena are often described by mathematical models involving partial differential equations…

Computational Physics · Physics 2017-01-05 Daniel Magee , Kyle E Niemeyer

The latest Graphics Processing Units (GPUs) are reported to reach up to 200 billion floating point operations per second (200 Gflops) and to have price performance of 0.1 cents per M flop. These facts raise great interest in the…

Graphics · Computer Science 2016-08-31 S. Tomov , M. McGuigan , R. Bennett , G. Smith , J. Spiletic

We explore one-point and two-point statistics of the Navier-Stokes-alpha-beta regularization model at moderate Reynolds number in homogeneous isotropic turbulence. The results are compared to the limit cases of the Navier-Stokes-alpha model…

Fluid Dynamics · Physics 2014-08-14 Denis F. Hinz , Tae-Yeon Kim , Eliot Fried

First, a meshless simulation method is presented for multiphase fluid-particle flows with a two-way coupled Smoothed Particle Hydrodynamics (SPH) for the fluid and the Discrete Element Method (DEM) for the solid phase. The unresolved fluid…

Fluid Dynamics · Physics 2014-02-28 Martin Robinson , Stefan Luding , Marco Ramaioli

Sustaining a large fraction of single GPU performance in parallel computations is considered to be the major problem of GPU-based clusters. In this article, this topic is addressed in the context of a lattice Boltzmann flow solver that is…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-01 Christian Feichtinger , Johannes Habich , Harald Koestler , Georg Hager , Ulrich Ruede , Gerhard Wellein

The Fast Fourier Transform (FFT), as a core computation in a wide range of scientific applications, is increasingly threatened by reliability issues. In this paper, we introduce TurboFFT, a high-performance FFT implementation equipped with…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-07 Shixun Wu , Yujia Zhai , Jinyang Liu , Jiajun Huang , Zizhe Jian , Huangliang Dai , Sheng Di , Zizhong Chen , Franck Cappello