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We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.5587). Our approach is inspired by a traditional CPU-based…

This paper introduces a fast Central Processing Unit (CPU) implementation of geodesic morphological operations using stream processing. In contrast to the current state-of-the-art, that focuses on achieving insensitivity to the filter sizes…

Performance · Computer Science 2019-12-02 Danijel Žlaus , Domen Mongus

We present an algorithm to simulate the many-body depletion interaction between anisotropic colloids in an implicit way, integrating out the degrees of freedom of the depletants, which we treat as an ideal gas. Because the depletant…

Soft Condensed Matter · Physics 2015-08-31 Jens Glaser , Andrew S. Karas , Sharon C. Glotzer

Purpose: To develop a general framework for Parallel Imaging (PI) with the use of Maxwell regularization for the estimation of the sensitivity maps (SMs) and constrained optimization for the parameter-free image reconstruction. Theory and…

Image and Video Processing · Electrical Eng. & Systems 2020-08-21 Matteo Alessandro Francavilla , Stamatios Lefkimmiatis , Jorge F. Villena , Athanasios G. Polimeridis

Writing efficient distributed code remains a labor-intensive and complex endeavor. To simplify application development, the Flexible Computational Science Infrastructure (FleCSI) framework offers a user-oriented, high-level programming…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-06 Alexander Strack , Hartmut Kaiser , Dirk Pflüger

Partial differential equations (PDEs) are crucial in modeling diverse phenomena across scientific disciplines, including seismic and medical imaging, computational fluid dynamics, image processing, and neural networks. Solving these PDEs at…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-07 George Bisbas , Rhodri Nelson , Mathias Louboutin , Fabio Luporini , Paul H. J. Kelly , Gerard Gorman

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

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of simulated models and morphologies have exceeded the capacity of any…

Quantitative Methods · Quantitative Biology 2016-10-10 Weiliang Chen , Erik De Schutter

In this paper, we design a novel algorithm based on Least-Squares Monte Carlo (LSMC) in order to approximate the solution of discrete time Backward Stochastic Differential Equations (BSDEs). Our algorithm allows massive parallelization of…

Numerical Analysis · Mathematics 2024-08-01 E. Gobet , J. G. López-Salas , P. Turkedjiev , C. Vázquez

Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency,…

Information Retrieval · Computer Science 2021-08-20 Hongyin Tang , Xingwu Sun , Beihong Jin , Jingang Wang , Fuzheng Zhang , Wei Wu

We present new versions of the previously published C and CUDA programs for solving the dipolar Gross-Pitaevskii equation in one, two, and three spatial dimensions, which calculate stationary and non-stationary solutions by propagation in…

We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles, the optimization and the resulting performance as compared…

In this paper, we present a parallel algorithm for Monte Carlo simulation of the 2D Ising Model to perform efficiently on a cluster computer using MPI. We use C++ programming language to implement the algorithm. In our algorithm, every…

Computational Physics · Physics 2018-11-13 Dariush Hassani , Shahnoosh Rafibakhsh

We propose HAMSI (Hessian Approximated Multiple Subsets Iteration), which is a provably convergent, second order incremental algorithm for solving large-scale partially separable optimization problems. The algorithm is based on a local…

To leverage the last two decades' transition in High-Performance Computing (HPC) towards clusters of compute nodes bound together with fast interconnects, a modern scalable CFD code must be able to efficiently distribute work amongst…

Computational Physics · Physics 2014-05-16 Åsmund Ervik , Svend Tollak Munkejord , Bernhard Müller

The solution of linear systems of equations is a central task in a number of scientific and engineering applications. In many cases the solution of linear systems may take most of the simulation time thus representing a major bottleneck in…

Numerical Analysis · Mathematics 2020-10-28 Giovanni Isotton , Carlo Janna , Massimo Bernaschi

Applications that exploit the architectural details of high-performance computing (HPC) systems have become increasingly invaluable in academia and industry over the past two decades. The most important hardware development of the last…

Mathematical Software · Computer Science 2020-05-15 Daniel J. Magee , Anthony S. Walker , Kyle E. Niemeyer

Simulating diffusion in heterogeneous media presents a significant computational challenge, as resolving microscopic physical scales traditionally demands excessively fine computational grids. To overcome this barrier, we extend the…

Numerical Analysis · Mathematics 2026-05-12 Eric T. Chung , Lijian Jiang , Mengnan Li , Yajun Wang

In this paper we implemented the algorithm we developed in [1] called 3DPIFCM in a parallel environment by using CUDA on a GPU. In our previous work we introduced 3DPIFCM which performs segmentation of images in noisy conditions and uses…

Computer Vision and Pattern Recognition · Computer Science 2020-02-07 Arie Agranonik , Maya Herman , Mark Last

In this paper, we develop a low-order three-dimensional finite-element solver for fast multiple-case crust deformation analysis on GPU-based systems. Based on a high-performance solver designed for massively parallel CPU based systems, we…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-10-25 Takuma Yamaguchi , Kohei Fujita , Tsuyoshi Ichimura , Muneo Hori , Maddegedara Lalith , Kengo Nakajima