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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…

分布式、并行与集群计算 · 计算机科学 2024-04-19 Jinghai He , Haoyu Liu , Yuhang Wu , Zeyu Zheng , Tingyu Zhu

We present an efficient implementation for running three-dimensional numerical simulations of fluid-structure interaction problems on single GPUs, based on Nvidia CUDA through Numba and Python. The incompressible flow around moving bodies…

流体动力学 · 物理学 2024-12-05 M. Guerrero-Hurtado , J. M. Catalán , M. Moriche , A. Gonzalo , O. Flores

Graphics Processing Units (GPUs) are high performance co-processors originally intended to improve the use and quality of computer graphics applications. Once, researchers and practitioners noticed the potential of using GPU for general…

数值分析 · 计算机科学 2016-07-12 K. Parand , Saeed Zafarvahedian , Sayyed A. Hossayni

Efficient ordinary differential equation solvers for chemical kinetics must take into account the available thread and instruction-level parallelism of the underlying hardware, especially on many-core coprocessors, as well as the numerical…

计算物理 · 物理学 2018-03-28 Christopher P. Stone , Andrew T. Alferman , Kyle E. Niemeyer

Linear Programs (LPs) appear in a large number of applications and offloading them to a GPU is viable to gain performance. Existing work on offloading and solving an LP on a GPU suggests that there is performance gain generally on large…

分布式、并行与集群计算 · 计算机科学 2018-02-26 Amit Gurung , Rajarshi Ray

Over the past decade there has been a growing interest in the development of parallel hardware systems for simulating large-scale networks of spiking neurons. Compared to other highly-parallel systems, GPU-accelerated solutions have the…

神经元与认知 · 定量生物学 2021-02-22 Bruno Golosio , Gianmarco Tiddia , Chiara De Luca , Elena Pastorelli , Francesco Simula , Pier Stanislao Paolucci

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…

计算工程、金融与科学 · 计算机科学 2018-02-13 Kiril S. Shterev

We carry out a comparative performance study of multi-core CPUs, GPUs and Intel Xeon Phi (Many Integrated Core - MIC) with a microscopy image analysis application. We experimentally evaluate the performance of computing devices on core…

分布式、并行与集群计算 · 计算机科学 2015-05-15 George Teodoro , Tahsin Kurc , Guilherme Andrade , Jun Kong , Renato Ferreira , Joel Saltz

GPUs have climbed up to the top of supercomputer systems making life harder to many legacy scientific codes. Nowadays, many recipes are being used in such code's portability, without any clarity of which is the best option. We present a…

分布式、并行与集群计算 · 计算机科学 2021-08-03 Guillermo Oyarzun , Daniel Mira , Guillaume Houzeaux

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

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…

计算物理 · 物理学 2014-10-01 Lorenzo Rovigatti , Petr Šulc , István Z. Reguly , Flavio Romano

Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…

分布式、并行与集群计算 · 计算机科学 2018-08-14 Michael Schaffner , Luca Benini

High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required…

分布式、并行与集群计算 · 计算机科学 2020-07-07 R. Borrell , D. Dosimont , M. Garcia-Gasulla , G. Houzeaux , O. Lehmkuhl , V. Mehta , H. Owen , M. Vazquez , G. Oyarzun

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…

分布式、并行与集群计算 · 计算机科学 2014-12-01 Yu-Hang Tang , George Em Karniadakis

An existing hybrid MPI-OpenMP scheme is augmented with a CUDA-based fine grain parallelization approach for multidimensional distributed Fourier transforms, in a well-characterized pseudospectral fluid turbulence code. Basics of the hybrid…

计算物理 · 物理学 2018-08-07 Duane Rosenberg , Pablo D. Mininni , Raghu Reddy , Annick Pouquet

The cryosphere plays a significant role in Earth's climate system. Therefore, an accurate simulation of sea ice is of great importance to improve climate projections. To enable higher resolution simulations, graphics processing units (GPUs)…

分布式、并行与集群计算 · 计算机科学 2024-02-29 Robert Jendersie , Christian Lessig , Thomas Richter

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…

计算物理 · 物理学 2010-11-23 Hon-Cheng Wong , Un-Hong Wong , Xueshang Feng , Zesheng Tang

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…

计算工程、金融与科学 · 计算机科学 2024-12-10 Samuel Kemmler , Christoph Rettinger , Ulrich Rüde , Pablo Cuéllar , Harald Köstler

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…

计算物理 · 物理学 2017-01-05 Daniel Magee , Kyle E Niemeyer

We introduce a GPU-accelerated multigrid Gaussian-Plane-Wave density fitting (FFTDF) approach for efficient Fock builds and nuclear gradient evaluations within Kohn-Sham density functional theory, as implemented in the GPU4PySCF module of…

化学物理 · 物理学 2026-03-27 Rui Li , Xing Zhang , Qiming Sun , Yuanheng Wang , Junjie Yang , Garnet Kin-Lic Chan