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We present an efficient open-source implementation of the multiparticle collision dynamics (MPCD) algorithm that scales to run on hundreds of graphics processing units (GPUs). We especially focus on optimizations for modern GPU…

Soft Condensed Matter · Physics 2018-08-01 Michael P. Howard , Athanassios Z. Panagiotopoulos , Arash Nikoubashman

This paper explores strategies to transform an existing CPU-based high-performance computational fluid dynamics solver, HyPar, for compressible flow simulations on emerging exascale heterogeneous (CPU+GPU) computing platforms. The…

Computational Engineering, Finance, and Science · Computer Science 2022-12-07 Youngdae Kim , Debojyoti Ghosh , Emil M. Constantinescu , Ramesh Balakrishnan

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-12-01 Yu-Hang Tang , George Em Karniadakis

This paper introduces open-source computational fluid dynamics software named open computational fluid dynamic code for scientific computation with graphics processing unit (GPU) system (OpenCFD-SCU), developed by the authors for direct…

Fluid Dynamics · Physics 2022-12-21 Guanlin Dang , Shiwei Liu , Tongbiao Guo , Junyi Duan , Xinliang Li

We introduce a GPU-accelerated simulation tool, named Modeling on Shallow Flows with Efficient Simulation for Two-Phase Debris Flows (MoSES_2PDF), of which the input and output data can be linked to the GIS system for engineering…

Computational Engineering, Finance, and Science · Computer Science 2021-04-15 Chi-Jyun Ko , Po-Chih Chen , Hock-Kiet Wong , Yih-Chin Tai

Mesoscopic numerical simulations provide a unique approach for the quantification of the chemical influences on red blood cell functionalities. The transport Dissipative Particles Dynamics (tDPD) method can lead to such effective multiscale…

Computational Physics · Physics 2017-06-07 Ansel L. Blumers , Yu-Hang Tang , Zhen Li , Xuejin Li , George E. Karniadakis

Multiphase compressible flows are often characterized by a broad range of space and time scales. Thus entailing large grids and small time steps, simulations of these flows on CPU-based clusters can thus take several wall-clock days.…

A new flow solver scalable on multiple Graphics Processing Units (GPUs) for direct numerical simulation of wall-bounded incompressible flow is presented. This solver utilizes a previously reported work (J. Comp. Physics, vol. 352 (2018),…

Computational Physics · Physics 2018-12-05 Sanghyun Ha , Junshin Park , Donghyun You

Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…

Computational Physics · Physics 2011-04-08 Peter H. Colberg , Felix Höfling

In this work, we detail the GPU-porting of an in-house pseudo-spectral solver tailored towards large-scale simulations of interface-resolved simulation of drop- and bubble-laden turbulent flows. The code relies on direct numerical…

Fluid Dynamics · Physics 2024-06-04 Alessio Roccon

Recent progress in artificial intelligence (AI) and high-performance computing (HPC) have brought potentially game-changing opportunities in accelerating reactive flow simulations. In this study, we introduce an open-source computational…

Computational Engineering, Finance, and Science · Computer Science 2023-12-22 Runze Mao , Yingrui Wang , Min Zhang , Han Li , Jiayang Xu , Xinyu Dong , Yan Zhang , Zhi X. Chen

Simulating large-scale microswimmer dynamics in viscous fluid poses significant challenges due to the coupled high spatial and temporal complexity. Conventional high-performance computing (HPC) methods often address these two dimensions in…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-04-15 Ruixiang Huang , Weifan Liu

Networks of interconnected resistors, springs and beams, or pores are standard models of studying scalar and vector transport processes in heterogeneous materials and media, such as fluid flow in porous media, and conduction, deformations,…

Computational Physics · Physics 2019-08-12 Hassan Dashtian , Muhammad Sahimi

Monte Carlo simulations of the transport of protons in human tissue have been deployed on graphics processing units (GPUs) with impressive results. To provide a more complete treatment of non-elastic nuclear interactions in these…

Computational Physics · Physics 2014-10-01 H. Wan Chan Tseung , C. Beltran

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Kiril S. Shterev

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

Current supercomputers often have a heterogeneous architecture using both CPUs and GPUs. At the same time, numerical simulation tasks frequently involve multiphysics scenarios whose components run on different hardware due to multiple…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Samuel Kemmler , Christoph Rettinger , Ulrich Rüde , Pablo Cuéllar , Harald Köstler

Large-scale molecular dynamics simulations with high accuracy have been increasingly popular for their capability to bridge the gap between atomistic modeling and mesoscale phenomena. Both machine learning potentials and enhanced sampling…

Computational Physics · Physics 2026-03-24 Haoting Zhang , Qiuhan Jia , Zhennan Zhang , Yijie Zhu , Zhongwei Zhang , Junjie Wang , Jiuyang Shi , Zheyong Fan , Jian Sun

Immersed boundary methods (IBMs) facilitate the simulation of flows around stationary, moving, and deforming bodies on Cartesian grids. However, extending these simulations to the large grid sizes required for realistic flow problems…

Fluid Dynamics · Physics 2026-03-16 Sushrut Kumar , Joshua Romero , Jung-Hee Seo , Massimiliano Fatica , Rajat Mittal

Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…

Computational Physics · Physics 2026-05-07 Sushrut Kumar , Joshua Romero , Jung-Hee Seo , Massimiliano Fatica , Rajat Mittal
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