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Molecular dynamics (MD) is an important research tool extensively applied in materials science. Running MD on a graphics processing unit (GPU) is an attractive new approach for accelerating MD simulations. Currently, GPU implementations of…

Computational Physics · Physics 2015-06-12 Qing Hou , Min Li , Yulu Zhou , Jiechao Cui , Zhenguo Cui , Jun Wang

The field of astrophysics has long sought computational tools capable of harnessing the power of modern GPUs to simulate the complex dynamics of astrophysical phenomena. The Kratos Framework, a novel GPU-based simulation system designed to…

Instrumentation and Methods for Astrophysics · Physics 2025-03-04 Lile Wang

This work discusses the performance of a modern numerical scheme for fluid dynamical problems on modern high-performance computing architectures. Our code implements a spatial nodal discontinuous Galerkin scheme that we test up to an order…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-08 Filipp Sporykhin , Holger Homann

Nowadays, the paradigm of parallel computing is changing. CUDA is now a popular programming model for general purpose computations on GPUs and a great number of applications were ported to CUDA obtaining speedups of orders of magnitude…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-09 Bogdan Oancea , Tudorel Andrei

We present a multiparticle collision dynamics (MPC) implementation of layered immiscible fluids $A$ and $B$ of different shear viscosities separated by planar interfaces. The simulated flow profile for imposed steady shear motion and the…

Soft Condensed Matter · Physics 2021-09-07 Zihan Tan , Vania Calandrini , Jan K. G. Dhont , Gerhard Nägele , Roland G. Winkler

GARUDA Grid developed on NKN (National Knowledge Network) network by Centre for Development of Advanced Computing (C-DAC) hubs High Performance Computing (HPC) Clusters which are geographically separated all over India. C-DAC has been…

Computational Physics · Physics 2011-07-08 Chandra Bhushan Roy , Dr Vikas Kumar

For computational fluid dynamics (CFD) applications with a large number of grid points/cells, parallel computing is a common efficient strategy to reduce the computational time. How to achieve the best performance in the modern…

Performance · Computer Science 2018-03-12 Yong-Xian Wang , Li-Lun Zhang , Wei Liu , Xing-Hua Cheng , Yu Zhuang , Anthony T. Chronopoulos

Future experiments in high-energy physics will pose stringent requirements to computing, in particular to real-time data processing. As an example, the CBM experiment at FAIR Germany intends to perform online data selection exclusively in…

Computational Physics · Physics 2020-02-06 V. Singhal , S. Chattopadhyay , V. Friese

Magnetohydrodynamic (MHD) simulations based on the ideal MHD equations have become a powerful tool for modeling phenomena in a wide range of applications including laboratory, astrophysical, and space plasmas. In general, high-resolution…

Computational Physics · Physics 2010-11-23 Hon-Cheng Wong , Un-Hong Wong , Xueshang Feng , Zesheng Tang

One of the current challenges in physically-based simulations, and, more specifically, fluid simulations, is to produce visually appealing results at interactive rates, capable of being used in multiple forms of media. In recent times, a…

Graphics · Computer Science 2024-04-17 Pedro Centeno , João Madeiras Pereira

In this review, we describe and analyze a mesoscale simulation method for fluid flow, which was introduced by Malevanets and Kapral in 1999, and is now called multi-particle collision dynamics (MPC) or stochastic rotation dynamics (SRD).…

Soft Condensed Matter · Physics 2009-11-13 G. Gompper , T. Ihle , D. M. Kroll , R. G. Winkler

We explore the performance and portability of the high-level programming models: the LLVM-based Julia and Python/Numba, and Kokkos on high-performance computing (HPC) nodes: AMD Epyc CPUs and MI250X graphical processing units (GPUs) on…

This paper reports on an in-depth evaluation of the performance portability frameworks Kokkos and RAJA with respect to their suitability for the implementation of complex particle-in-cell (PIC) simulation codes, extending previous studies…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-11-20 Victor Artigues , Katharina Kormann , Markus Rampp , Klaus Reuter

We propose a new hybrid topology optimization algorithm based on multigrid approach that combines the parallelization strategy of CPU using OpenMP and heavily multithreading capabilities of modern Graphics Processing Units (GPU). In…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-02-01 Arya Prakash Padhi , Souvik Chakraborty , Anupam Chakrabarti , Rajib Chowdhury

SISSO (sure-independence screening and sparsifying operator) is an artificial intelligence (AI) method based on symbolic regression and compressed sensing widely used in materials science research. SISSO++ is its C++ implementation that…

Performance · Computer Science 2025-02-28 Sebastian Eibl , Yi Yao , Matthias Scheffler , Markus Rampp , Luca M. Ghiringhelli , Thomas A. R. Purcell

Computing centres, including those used to process High-Energy Physics data and simulations, are increasingly providing significant fractions of their computing resources through hardware architectures other than x86 CPUs, with GPUs being a…

Instrumentation and Detectors · Physics 2021-11-23 Xiaocong Ai , Georgiana Mania , Heather M. Gray , Michael Kuhn , Nicholas Styles

COSA is a novel CFD system based on the compressible Navier-Stokes model for unsteady aerodynamics and aeroelasticity of fixed structures, rotary wings and turbomachinery blades. It includes a steady, time domain, and harmonic balance flow…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-04-30 Adrian Jackson , M. Sergio Campobasso

Simulation of transport properties of confined, low-dimensional fluids can be performed efficiently by means of Multi-Particle Collision (MPC) dynamics with suitable thermal-wall boundary conditions. We illustrate the effectiveness of the…

Statistical Mechanics · Physics 2025-03-12 Rongxiang Luo , Stefano Lepri

With the appearance of the heterogeneous platform OpenPower,many-core accelerator devices have been coupled with Power host processors for the first time. Towards utilizing their full potential, it is worth investigating performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-07 Erik Zenker , René Widera , Axel Huebl , Guido Juckeland , Andreas Knüpfer , Wolfgang E. Nagel , Michael Bussmann

Starting from the single graphics processing unit (GPU) version of the Smoothed Particle Hydrodynamics (SPH) code DualSPHysics, a multi-GPU SPH program is developed for free-surface flows. The approach is based on a spatial decomposition…

Computational Physics · Physics 2012-10-04 Daniel Valdez-Balderas , José M. Domínguez , Benedict D. Rogers , Alejandro J. C. Crespo