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This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization…

Materials Science · Physics 2017-09-13 Chris M. Mangiardi , Ralf Meyer

We present a novel, GPU-optimized algorithm for particle-mesh interactions in grid-based hydrodynamics simulations, designed for massively parallel architectures. This approach overcomes the inefficiency of particle neighbour searches or…

Instrumentation and Methods for Astrophysics · Physics 2026-03-23 Chong-Chong He , Benjamin D. Wibking , Aditi Vijayan , Mark R. Krumholz , Pak Shing Li

There are variety of computational algorithms need sequential sweeping; sweeping based on specific order; on a structured grid, e.g., preconditioning (smoothing) by SOR or ILU methods and solution of eikonal equation by fast sweeping…

Numerical Analysis · Mathematics 2010-08-24 Ruhollah Tavakoli

To prepare images for better segmentation, we need preprocessing applications, such as smoothing, to reduce noise. In this paper, we present an enhanced computation method for smoothing 2D object in binary case. Unlike existing approaches,…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-03-31 Ramzi Mahmoudi , Mohamed Akil

GPU-based heterogeneous architectures are now commonly used in HPC clusters. Due to their architectural simplicity specialized for data-level parallelism, GPUs can offer much higher computational throughput and memory bandwidth than CPUs in…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-05-15 Urvij Saroliya , Eishi Arima , Dai Liu , Martin Schulz

All-pairs compute problems apply a user-defined function to each combination of two items of a given data set. Although these problems present an abundance of parallelism, data reuse must be exploited to achieve good performance. Several…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-11 Stijn Heldens , Pieter Hijma , Ben van Werkhoven , Jason Maassen , Henri Bal , Rob van Nieuwpoort

Spherical Harmonic Transforms (SHT) are at the heart of many scientific and practical applications ranging from climate modelling to cosmological observations. In many of these areas new, cutting-edge science goals have been recently…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-04-03 Mikolaj Szydlarski , Pierre Esterie , Joel Falcou , Laura Grigori , R. Stompor

In this paper, we propose an efficient parallelization strategy for boundary element method (BEM) solvers that perform the electromagnetic analysis of structures with lossy conductors. The proposed solver is accelerated with the adaptive…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-30 Damian Marek , Shashwat Sharma , Piero Triverio

In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does…

Biological Physics · Physics 2009-10-30 G. La Penna , S. Letardi , V. Minicozzi , S. Morante , G. C. Rossi , G. Salina

The recent evolution of software and hardware technologies is leading to a renewed computational interest in Particle-In-Cell (PIC) methods such as the Material Point Method (MPM). Indeed, provided some critical aspects are properly…

Computational Physics · Physics 2024-12-11 Paolo Joseph Baioni , Tommaso Benacchio , Luigi Capone , Carlo de Falco

The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…

Chemical Physics · Physics 2015-07-03 Fang Liu , Nathan Luehr , Heather J. Kulik , Todd J. Martínez

We consider deployment of the particle filter on modern massively parallel hardware architectures, such as Graphics Processing Units (GPUs), with a focus on the resampling stage. While standard multinomial and stratified resamplers require…

Computation · Statistics 2012-02-29 Lawrence Murray

We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…

Graphics · Computer Science 2024-03-27 Manas Kale , Paul G. Kry

This paper proposes a novel GPU-based active nematic flow solver based on the smoothed particle hydrodynamics (SPH) method. Nematohydrodynamics equations are discretized using the SPH algorithm, and the periodic domain is enforced using the…

Fluid Dynamics · Physics 2022-03-01 Roozbeh Saghatchi , Deniz Can Kolukisa , Mehmet Yildiz

The implicit 2D3V particle-in-cell (PIC) code developed to study the interaction of ultrashort pulse lasers with matter [G. M. Petrov and J. Davis, Computer Phys. Comm. 179, 868 (2008); Phys. Plasmas 18, 073102 (2011)] has been parallelized…

Plasma Physics · Physics 2016-08-24 George M. Petrov , Jack Davis

The modified Born series (MBS) is a fast and accurate method for simulating wave propagation in complex structures. In the current implementation of the MBS, the simulation size is limited by the working memory of a single computer or…

Computational Physics · Physics 2026-01-13 Swapnil Mache , Ivo M. Vellekoop

We consider differential Lyapunov and Riccati equations, and generalized versions thereof. Such equations arise in many different areas and are especially important within the field of optimal control. In order to approximate their…

Numerical Analysis · Mathematics 2018-10-23 Hermann Mena , Lena-Maria Pfurtscheller , Tony Stillfjord

With the rapid innovation of GPUs, heterogeneous GPU clusters in both public clouds and on-premise data centers have become increasingly commonplace. In this paper, we demonstrate how pipeline parallelism, a technique wellstudied for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-28 Z. Jonny Kong , Qiang Xu , Y. Charlie Hu

Serverless Computing (FaaS) has become a popular paradigm for deep learning inference due to the ease of deployment and pay-per-use benefits. However, current serverless inference platforms encounter the coarse-grained and static GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-09-03 Jianfeng Gu , Puxuan Wang , Isaac David Nunez Araya , Kai Huang , Michael Gerndt

A novel numerical formulation for solving fluid-structure interaction (FSI) problems is proposed where the fluid field is spatially discretized using smoothed particle hydrodynamics (SPH) and the structural field using the finite element…

Computational Engineering, Finance, and Science · Computer Science 2021-06-16 Sebastian L. Fuchs , Christoph Meier , Wolfgang A. Wall , Christian J. Cyron