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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

Matlab is very widely used in scientific computing, but Matlab computational efficiency is lower than C language program. In order to improve the computing speed, some toolbox can use GPU to accelerate the computation. This paper describes…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-26 Mingzhe Wang , Bo Wang , Qiu He , Xiuxiu Liu , Kunshuai Zhu

Hybrid computational architectures based on the joint power of Central Processing Units and Graphic Processing Units (GPUs) are becoming popular and powerful hardware tools for a wide range of simulations in biology, chemistry, engineering,…

Instrumentation and Methods for Astrophysics · Physics 2015-06-15 Roberto Capuzzo-Dolcetta , Mario Spera

We present computational performance comparisons of gas-solid simulations performed on current CPU and GPU architectures using MFiX Exa, a CFD-DEM solver that leverages hybrid CPU+GPU parallelism. A representative fluidized bed simulation…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-20 Shandong Lao , Aaron Holt , Deepthi Vaidhynathan , Hariswaran Sitaraman , Christine M. Hrenya , Thomas Hauser

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

A finite-difference Micromagnetic simulation code written in MATLAB is presented with Graphics Processing Unit (GPU) acceleration. The high performance of Graphics Processing Unit (GPU) is demonstrated compared to a typical Central…

Computational Engineering, Finance, and Science · Computer Science 2015-01-30 Ru Zhu

We provide a preliminary study on utilizing GPU (Graphics Processing Unit) to accelerate computation for three simulation optimization tasks with either first-order or second-order algorithms. Compared to the implementation using only CPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-19 Jinghai He , Haoyu Liu , Yuhang Wu , Zeyu Zheng , Tingyu Zhu

A way to accelerate DEM calculations on the GPUs is developed. We examined how warp divergences take place in the contact detection and the force calculations taking account of the GPU architecture. Then we showed a strategy to reduce the…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-03-13 Yasuhiro Nakahara , Teruyoshi Washizawa

Parallel computing can offer an enormous advantage regarding the performance for very large applications in almost any field: scientific computing, computer vision, databases, data mining, and economics. GPUs are high performance many-core…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-24 Bogdan Oancea , Tudorel Andrei , Raluca Mariana Dragoescu

Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-30 Mufakir Qamar Ansari , Mudabir Qamar Ansari

Parallel computing using accelerators has gained widespread research attention in the past few years. In particular, using GPUs for general purpose computing has brought forth several success stories with respect to time taken, cost, power,…

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

This paper introduces DEM-Engine, a new submodule of Project Chrono, that is designed to carry out Discrete Element Method (DEM) simulations. Based on spherical primitive shapes, DEM-Engine can simulate polydisperse granular materials and…

Computational Engineering, Finance, and Science · Computer Science 2023-11-10 Ruochun Zhang , Bonaventura Tagliafierro , Colin Vanden Heuvel , Shlok Sabarwal , Luning Bakke , Yulong Yue , Xin Wei , Radu Serban , Dan Negrut

General purpose computing on graphic processing units (GPU) is a potential method of speeding up scientific computation with low cost and high energy efficiency. We experimented with the particle physics simulation toolkit Geant4 used at…

Computational Physics · Physics 2012-09-25 Otto Seiskari , Jukka Kommeri , Tapio Niemi

We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing Kohn-Sham density functional theory calculations within the local density and generalized gradient approximations. In particular, we…

Computational Physics · Physics 2023-06-14 Abhiraj Sharma , Alfredo Metere , Phanish Suryanarayana , Lucas Erlandson , Edmond Chow , John E. Pask

We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GPU) in the NVIDIA CUDA language. We tested our code on a modern GPU, the NVIDIA GeForce 8800 GTX. Results for two MD algorithms suitable for…

Other Condensed Matter · Physics 2008-09-10 J. A. van Meel , A. Arnold , D. Frenkel , S. F. Portegies Zwart , R. G. Belleman

We discuss the use of the Discrete Element Method (DEM) to simulate the dynamics of granular systems made up of elements with nontrivial geometries. The DEM simulator is GPU accelerated and can handle elements whose shape is defined as the…

Computational Engineering, Finance, and Science · Computer Science 2023-07-10 Ruochun Zhang , Colin Vanden Heuvel , Alexander Schepelmann , Arno Rogg , Dimitrios Apostolopoulos , Samuel Chandler , Radu Serban , Dan Negrut

Analysis of processing time and similarity of images generated between CPU and GPU architectures and sequential and parallel programming. For image processing a computer with AMD FX-8350 processor and an Nvidia GTX 960 Maxwell GPU was used,…

To effectively control large-scale distributed systems online, model predictive control (MPC) has to swiftly solve the underlying high-dimensional optimization. There are multiple techniques applied to accelerate the solving process in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-30 Carmen Amo Alonso , Shih-Hao Tseng

We describe the use of Graphics Processing Units (GPUs) for speeding up the code NBODY6 which is widely used for direct $N$-body simulations. Over the years, the $N^2$ nature of the direct force calculation has proved a barrier for…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 Keigo Nitadori , Sverre J. Aarseth
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