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To be able to run tasks asynchronously on NVIDIA GPUs a programmer must explicitly implement asynchronous execution in their code using the syntax of CUDA streams. Streams allow a programmer to launch independent concurrent execution tasks,…

Instrumentation and Methods for Astrophysics · Physics 2021-05-07 Jan Novotný , Karel Adámek , Wes Armour

This Article presents two optimized multi-GPU algorithms for Fock matrix construction, building on the work of Ufimtsev et al. and Barca et al. The novel algorithms, opt-UM and opt-Brc, introduce significant enhancements, including improved…

Computational Physics · Physics 2024-08-01 Elise Palethorpe , Ryan Stocks , Giuseppe M. J. Barca

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…

Chemical Physics · Physics 2026-03-27 Rui Li , Xing Zhang , Qiming Sun , Yuanheng Wang , Junjie Yang , Garnet Kin-Lic Chan

Stencil computations are widely used in HPC applications. Today, many HPC platforms use GPUs as accelerators. As a result, understanding how to perform stencil computations fast on GPUs is important. While implementation strategies for…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-16 Ryuichi Sai , John Mellor-Crummey , Xiaozhu Meng , Mauricio Araya-Polo , Jie Meng

We describe the implementation and performance of the ${\rm P^3T}$ (Particle-Particle Particle-Tree) scheme for simulating dense stellar systems. In ${\rm P^3T}$, the force experienced by a particle is split into short-range and long-range…

Instrumentation and Methods for Astrophysics · Physics 2015-06-16 Masaki Iwasawa , Simon Portegies Zwart , Junichiro Makino

Astronomy depends on ever increasing computing power. Processor clock-rates have plateaued, and increased performance is now appearing in the form of additional processor cores on a single chip. This poses significant challenges to the…

Instrumentation and Methods for Astrophysics · Physics 2015-05-19 Benjamin R. Barsdell , David G. Barnes , Christopher J. Fluke

Performance optimization can be a daunting task especially as the hardware architecture becomes more and more complex. This paper takes a kernel from the Materials Science code BerkeleyGW, and demonstrates a few performance analysis and…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-09-24 Charlene Yang

We describe a new 512-CPU Beowulf cluster with Teraflop performance dedicated to problems in computational astrophysics. The cluster incorporates a cubic network topology based on inexpensive commodity 24-port gigabit switches and point to…

Astrophysics · Physics 2007-05-23 John Dubinski , Robin Humble , Ue-Li Pen , Chris Loken , Peter Martin

Graphical simulations are a cornerstone of modern media and films. But existing software packages are designed to run on HPC nodes, and perform poorly in the computing cloud. These simulations have complex data access patterns over complex…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-06-08 Omid Mashayekhi , Chinmayee Shah , Hang Qu , Andrew Lim , Philip Levis

The paper presents the aspect of use of modern graphics accelerators supporting CUDA technology for high-performance computing in the field of linear algebra. Fully programmable graphic cards have been available for several years for both…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-06-27 Lukasz Swierczewski

The complex structure of interplanetary magnetic fields and their variability, due to solar activity, make it necessary to compute the Cosmic Ray (CR) modulation with numerical simulations. COde for a Speedy Monte Carlo (MC) Involving Cuda…

Computational Physics · Physics 2025-02-11 Giovanni Cavallotto , Stefano Della Torre , Giuseppe La Vacca , Massimo Gervasi

The objective of our research is to demonstrate the practical usage and orders of magnitude speedup of real-world applications by using alternative technologies to support high performance computing. Currently, the main barrier to the…

Astrophysics · Physics 2007-11-22 Robert J. Brunner , Volodymyr V. Kindratenko , Adam D. Myers

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

We collected radial velocities of more than 50.000 individual stars in 156 Galactic globular clusters (GGC) and matched them with HST photometry and Gaia DR2 proper motions. This allowed us to derive the GGC's mean proper motions and space…

Astrophysics of Galaxies · Physics 2020-03-18 Michael Hilker , Holger Baumgardt , Antonio Sollima , Andrea Bellini

BATSRUS, our state-of-the-art extended magnetohydrodynamic code, is the most used and one of the most resource-consuming models in the Space Weather Modeling Framework. It has always been our objective to improve its efficiency and speed…

Instrumentation and Methods for Astrophysics · Physics 2025-01-14 Yifu An , Yuxi Chen , Hongyang Zhou , Alexander Gaenko , Gábor Tóth

The future of computation is the Graphical Processing Unit, i.e. the GPU. The promise that the graphics cards have shown in the field of image processing and accelerated rendering of 3D scenes, and the computational capability that these…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-02-21 Jayshree Ghorpade , Jitendra Parande , Madhura Kulkarni , Amit Bawaskar

This work presents a GPU thread mapping approach that allows doing fast parallel stencil-like computations on discrete fractals using their compact representation. The intuition behind is to employ two GPU tensor-core accelerated thread…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-10-26 Felipe A. Quezada , Cristóbal A. Navarro

We present the GPU calculation with the common unified device architecture (CUDA) for the Wolff single-cluster algorithm of the Ising model. Proposing an algorithm for a quasi-block synchronization, we realize the Wolff single-cluster Monte…

Computational Physics · Physics 2012-01-10 Yukihiro Komura , Yutaka Okabe

A micromagnetic simulator running on graphics processing unit (GPU) is presented. It achieves significant performance boost as compared to previous central processing unit (CPU) simulators, up to two orders of magnitude for large input…

Computational Engineering, Finance, and Science · Computer Science 2014-11-11 Ru Zhu

Remarkable observational advances have established a compelling cross-validated model of the Universe. Yet, two key pillars of this model -- dark matter and dark energy -- remain mysterious. Sky surveys that map billions of galaxies to…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-11-28 Salman Habib , Vitali Morozov , Hal Finkel , Adrian Pope , Katrin Heitmann , Kalyan Kumaran , Tom Peterka , Joe Insley , David Daniel , Patricia Fasel , Nicholas Frontiere , Zarija Lukic
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