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PyFR is an open-source high-order accurate computational fluid dynamics solver for mixed unstructured grids that can target a range of hardware platforms from a single codebase. In this paper we demonstrate the ability of PyFR to perform…

流体动力学 · 物理学 2014-09-02 F. D. Witherden , B. C. Vermeire , P. E. Vincent

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins $N$, leading to significant computational effort. The…

计算物理 · 物理学 2023-08-16 Hongwei Chen , Shiyang Chen , Joshua J. Turner , Adrian Feiguin

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…

流体动力学 · 物理学 2026-03-16 Sushrut Kumar , Joshua Romero , Jung-Hee Seo , Massimiliano Fatica , Rajat Mittal

The Eulerian fluid simulation is an important HPC application. The neural network has been applied to accelerate it. The current methods that accelerate the fluid simulation with neural networks lack flexibility and generalization. In this…

机器学习 · 计算机科学 2020-08-31 Wenqian Dong , Jie Liu , Zhen Xie , Dong Li

GPUs are critical for compute-intensive applications, yet emerging workloads such as recommender systems, graph analytics, and data analytics often exceed GPU memory capacity. Existing solutions allow GPUs to use CPU DRAM or SSDs as…

分布式、并行与集群计算 · 计算机科学 2025-08-27 Zhuoping Yang , Jinming Zhuang , Xingzhen Chen , Alex K. Jones , Peipei Zhou

High-order gas-kinetic scheme (HGKS) has become a workable tool for the direct numerical simulation (DNS) of turbulence. In this paper, to accelerate the computation, HGKS is implemented with the graphical processing unit (GPU) using the…

数值分析 · 数学 2023-01-25 Yuhang Wang , Guiyu Cao , Liang Pan

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…

分布式、并行与集群计算 · 计算机科学 2021-08-20 Shandong Lao , Aaron Holt , Deepthi Vaidhynathan , Hariswaran Sitaraman , Christine M. Hrenya , Thomas Hauser

Modern graphics computing units (GPUs) are designed and optimized to perform highly parallel numerical calculations. This parallelism has enabled (and promises) significant advantages, both in terms of energy performance and calculation. In…

硬件体系结构 · 计算机科学 2021-10-26 Quentin Gallouédec

DC Optimal Power Flow (DCOPF) is a key operational tool for power system operators, and it is embedded as a subproblem in many challenging optimization problems (e.g., line switching). However, traditional CPU-based solve routines (e.g.,…

系统与控制 · 电气工程与系统科学 2024-09-26 Seide Saba Rafiei , Samuel Chevalier

Large deep learning models have demonstrated strong ability to solve many tasks across a wide range of applications. Those large models typically require training and inference to be distributed. Tensor parallelism is a common technique…

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

计算物理 · 物理学 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

The High Performance Computing (HPC) field is witnessing a widespread adoption of Graphics Processing Units (GPUs) as co-processors for conventional homogeneous clusters. The adoption of prevalent Single- Program Multiple-Data (SPMD)…

分布式、并行与集群计算 · 计算机科学 2015-11-25 Teng Li , Vikram K. Narayana , Tarek El-Ghazawi

Learning continuous representations of nodes is attracting growing interest in both academia and industry recently, due to their simplicity and effectiveness in a variety of applications. Most of existing node embedding algorithms and…

机器学习 · 计算机科学 2019-03-05 Zhaocheng Zhu , Shizhen Xu , Meng Qu , Jian Tang

The rise of AI and the economic dominance of cloud computing have created a new nexus of innovation for high performance computing (HPC), which has a long history of driving scientific discovery. In addition to performance needs, scientific…

分布式、并行与集群计算 · 计算机科学 2025-06-10 Vanessa Sochat , Daniel Milroy , Abhik Sarkar , Aniruddha Marathe , Tapasya Patki

GPUs have significantly accelerated first-order methods for large-scale optimization, especially in continuous optimization. However, this success has not transferred cleanly to problems with discrete variables, combinatorial structure, and…

机器学习 · 计算机科学 2026-05-22 Jiachang Liu , Andrea Lodi

The use of reduced and mixed precision computing has gained increasing attention in high-performance computing (HPC) as a means to improve computational efficiency, particularly on modern hardware architectures like GPUs. In this work, we…

计算工程、金融与科学 · 计算机科学 2025-05-28 Bálint Siklósi , Pushpender K. Sharma , David J. Lusher , István Z. Reguly , Neil D. Sandham

Manufacturers have been developing new graphics processing unit (GPU) nodes with large capacity, high bandwidth memory and very high bandwidth intra-node interconnects. This enables moving large amounts of data between GPUs on the same node…

分布式、并行与集群计算 · 计算机科学 2022-11-29 Mino Woo , Terry Jordan , Tarak Nandi , Jean Francois Dietiker , Christopher Guenther , Dirk Van Essendelft

Strong gravitational lensing is a powerful probe of cosmology and the dark matter distribution. Efficient lensing software is already a necessity to fully use its potential and the performance demands will only increase with the upcoming…

天体物理仪器与方法 · 物理学 2019-02-12 Markus Rexroth , Christoph Schäfer , Gilles Fourestey , Jean-Paul Kneib

Evaluating high-dimensional integrals via deep hierarchical recurrences is a dominant cost in quantum chemistry. While CPUs manage these efficiently, GPUs suffer a critical mismatch: limited per-thread memory is quickly overwhelmed by an…

计算物理 · 物理学 2026-05-14 Yihong Zhang , Xinran Wei , Junshi Chen , Fusong Ju , Wei Hu , Jinlong Yang , Huanhuan Xia

Simulators are a primary tool in computer architecture research but are extremely computationally intensive. Simulating modern architectures with increased core counts and recent workloads can be challenging, even on modern hardware. This…

分布式、并行与集群计算 · 计算机科学 2025-05-27 Rodrigo Huerta , Antonio González