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Highly-parallel graphics processing units (GPUs) can improve the speed of micromagnetic simulations significantly as compared to conventional computing using central processing units (CPUs). We present a strategy for performing…

Computational Physics · Physics 2015-12-18 C. L. Jermain , G. E. Rowlands , R. A. Buhrman , D. C. Ralph

For large-scale graph analytics on the GPU, the irregularity of data access and control flow, and the complexity of programming GPUs, have presented two significant challenges to developing a programmable high-performance graph library.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-01-06 Yangzihao Wang , Yuechao Pan , Andrew Davidson , Yuduo Wu , Carl Yang , Leyuan Wang , Muhammad Osama , Chenshan Yuan , Weitang Liu , Andy T. Riffel , John D. Owens

In astrophysics numerical star cluster simulations and hydrodynamical methods like SPH require computational performance in the petaflop range. The GRAPE family of ASIC-based accelerators improves the cost-performance ratio compared to…

Astrophysics · Physics 2007-05-23 T. Kuberka , A. Kugel , R. Maenner , H. Singpiel , R. Spurzem , R. Klessen

Modern graphics processing units (GPUs) lead to a major increase in the performance of the computation of astrophysical simulations. Owing to the different nature of GPU architecture compared to traditional central processing units (CPUs)…

Earth and Planetary Astrophysics · Physics 2016-04-13 Christoph M. Schäfer , Sven Riecker , Thomas I. Maindl , Roland Speith , Samuel Scherrer , Wilhelm Kley

Recently, hybrid architectures using accelerators like GPGPUs or the Cell processor have gained much interest in the HPC community. The RapidMind Multi-Core Development Platform is a programming environment that allows generating code which…

Performance · Computer Science 2010-02-19 Iris Christadler , Volker Weinberg

In this paper, we present GATSPI, a novel GPU accelerated logic gate simulator that enables ultra-fast power estimation for industry sized ASIC designs with millions of gates. GATSPI is written in PyTorch with custom CUDA kernels for ease…

Machine Learning · Computer Science 2022-03-14 Yanqing Zhang , Haoxing Ren , Akshay Sridharan , Brucek Khailany

We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…

Materials Science · Physics 2011-03-08 Christian R. Trott , Lars Winterfeld , Paul S. Crozier

Edge computing is a popular target for accelerating machine learning algorithms supporting mobile devices without requiring the communication latencies to handle them in the cloud. Edge deployments of machine learning primarily consider…

Hardware Architecture · Computer Science 2024-10-28 Sébastien Ollivier , Sheng Li , Yue Tang , Chayanika Chaudhuri , Peipei Zhou , Xulong Tang , Jingtong Hu , Alex K. Jones

This paper discusses the challenges encountered when analyzing the energy efficiency of synthetic benchmarks and the Gromacs package on the Fritz and Alex HPC clusters. Experiments were conducted using MPI parallelism on full sockets of…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-04 Rafael Ravedutti Lucio Machado , Jan Eitzinger , Georg Hager , Gerhard Wellein

Graphics Processing Units (GPUs) are being used in many areas of physics, since the performance versus cost is very attractive. The GPUs can be addressed by CUDA which is a NVIDIA's parallel computing architecture. It enables dramatic…

High Energy Physics - Lattice · Physics 2012-10-12 Nuno Cardoso , Marco Cardoso , Pedro Bicudo

This paper presents a limited-area atmospheric simulation of a tropical cyclone accelerated using GPUs. The OpenACC directive-based programming model is used to port the atmospheric model to the GPU. The GPU implementation of the main…

Computational Physics · Physics 2025-04-14 Soonpil Kang , Francis X. Giraldo , Seth Camp

Analyzing large-scale performance logs from GPU profilers often requires terabytes of memory and hours of runtime, even for basic summaries. These constraints prevent timely insight and hinder the integration of performance analytics into…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-27 Ankur Lahiry , Ayush Pokharel , Seth Ockerman , Amal Gueroudji , Line Pouchard , Tanzima Z. Islam

Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware…

Computational Physics · Physics 2011-01-27 D. C. Rapaport

Machine learning models made up of millions or billions of parameters are trained and served on large multi-GPU systems. As models grow in size and execute on more GPUs, the collective communications used in these applications become a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-07-21 Meghan Cowan , Saeed Maleki , Madanlal Musuvathi , Olli Saarikivi , Yifan Xiong

We present a novel approach to accelerate astrophysical hydrodynamical simulations. In astrophysical many-body simulations, GRAPE (GRAvity piPE) system has been widely used by many researchers. However, in the GRAPE systems, its function is…

Astrophysics · Physics 2009-11-11 N. Nakasato , T. Hamada , T. Fukushige

Large-scale GPU traces play a critical role in identifying performance bottlenecks within heterogeneous High-Performance Computing (HPC) architectures. However, the sheer volume and complexity of a single trace of data make performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-22 Ankur Lahiry , Ayush Pokharel , Banooqa Banday , Seth Ockerman , Amal Gueroudji , Mohammad Zaeed , Tanzima Z. Islam , Line Pouchard

Developing efficient GPU kernels can be difficult because of the complexity of GPU architectures and programming models. Existing performance tools only provide coarse-grained suggestions at the kernel level, if any. In this paper, we…

Performance · Computer Science 2020-11-25 Keren Zhou , Xiaozhu Meng , Ryuichi Sai , John Mellor-Crummey

Unstructured mesh tallies are a bottleneck in Monte Carlo neutral particle transport simulations of fusion reactors. This paper introduces the PUMI-Tally library that takes advantage of mesh adjacency information to accelerate these tallies…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-29 Fuad Hasan , Cameron W. Smith , Mark S. Shephard , R. Michael Churchill , George J. Wilkie , Paul K. Romano , Patrick C. Shriwise , Jacob S. Merson

We present the design and scalable implementation of an exascale climate emulator for addressing the escalating computational and storage requirements of high-resolution Earth System Model simulations. We utilize the spherical harmonic…

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