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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 consider differential Lyapunov and Riccati equations, and generalized versions thereof. Such equations arise in many different areas and are especially important within the field of optimal control. In order to approximate their…

Numerical Analysis · Mathematics 2018-10-23 Hermann Mena , Lena-Maria Pfurtscheller , Tony Stillfjord

Graphics Processing Units (GPUs) support dynamic voltage and frequency scaling (DVFS) in order to balance computational performance and energy consumption. However, there still lacks simple and accurate performance estimation of a given GPU…

Performance · Computer Science 2018-06-14 Qiang Wang , Xiaowen Chu

High energy physics (HEP) experiments at the LHC generate data at a rate of $\mathcal{O}(10)$ Terabits per second. This data rate is expected to exponentially increase as experiments will be upgraded in the future to achieve higher…

High Energy Physics - Phenomenology · Physics 2022-10-25 Dhananjay Saikumar

We describe a method for parallelizing the lexicographic enumeration algorithm for the factorization set of an element in a numerical semigroup via bounds. This enables the use of GPU and distributed computing methods. We provide a CUDA…

Commutative Algebra · Mathematics 2024-05-14 Thomas Barron

We discuss an implementation of molecular dynamics (MD) simulations on a graphic processing unit (GPU) in the NVIDIA CUDA language. We tested our code on a modern GPU, the NVIDIA GeForce 8800 GTX. Results for two MD algorithms suitable for…

Other Condensed Matter · Physics 2008-09-10 J. A. van Meel , A. Arnold , D. Frenkel , S. F. Portegies Zwart , R. G. Belleman

We show that numerical computations based on tensor renormalization group (TRG) methods can be significantly accelerated with PyTorch on graphics processing units (GPUs) by leveraging NVIDIA's Compute Unified Device Architecture (CUDA). We…

High Energy Physics - Lattice · Physics 2023-09-26 Raghav G. Jha , Abhishek Samlodia

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

We present direct astrophysical N-body simulations with up to a few million bodies using our parallel MPI/CUDA code on large GPU clusters in China, Ukraine and Germany, with different kinds of GPU hardware. These clusters are directly…

Instrumentation and Methods for Astrophysics · Physics 2013-12-09 P. Berczik , R. Spurzem , L. Wang , S. Zhong , O. Veles , I. Zinchenko , S. Huang , M. Tsai , G. Kennedy , S. Li , L. Naso , C. Li

The LHC experiments are designed to detect large amount of physics events produced with a very high rate. Considering the future upgrades, the data acquisition rate will become even higher and new computing paradigms must be adopted for…

In this paper we introduce the energy efficiency as a new metric for evaluating both hardware platforms based on Graphic Processor Units (GPU), and algorithm optimisations at High Energy Physics (HEP) experiments. We develop a method to…

High Energy Physics - Experiment · Physics 2026-05-01 Jiahui Zhuo , Arantza Oyanguren , Álvaro Fernández Casani , Luca Fiorini , Valerii Kholoimov

The MuST package is a computational software designed for ab initio electronic structure calculations for solids. The Locally Self-consistent Multiple Scattering (LSMS) method implemented in MuST allows to perform the electronic structure…

Computational Physics · Physics 2023-09-01 Xiao Liang , Edward Hanna , Derek Simmel , Hang Liu , Yang Wang

Hydrodynamics calculations have been successfully used in studies of the bulk properties of the Quark-Gluon Plasma, particularly of elliptic flow and shear viscosity. However, there are areas (for instance event-by-event simulations for…

Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…

Computational Physics · Physics 2026-05-07 Sushrut Kumar , Joshua Romero , Jung-Hee Seo , Massimiliano Fatica , Rajat Mittal

The attention layer, a core component of Transformer-based LLMs, brings out inefficiencies in current GPU systems due to its low operational intensity and the substantial memory requirements of KV caches. We propose a High-bandwidth…

Hardware Architecture · Computer Science 2025-12-19 Myunghyun Rhee , Joonseop Sim , Taeyoung Ahn , Seungyong Lee , Daegun Yoon , Euiseok Kim , Kyoung Park , Youngpyo Joo , Hoshik Kim

The Graphic Processing Unit (GPU) has evolved into a powerful and flexible processor. The latest graphic processors provide fully programmable vertex and pixel processing units that support vector operations up to single floating-point…

Hardware Architecture · Computer Science 2007-05-23 Guillaume Da Graçca , David Defour

Graphics processing units (GPU) had evolved from a specialized hardware capable to render high quality graphics in games to a commodity hardware for effective processing blocks of data in a parallel schema. This evolution is particularly…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-03-26 Luis Cabellos

It has been widely accepted that Graphics Processing Units (GPU) is one of promising schemes for encryption acceleration, in particular, the support of complex mathematical calculations such as integer and logical operations makes the…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-15 Canhui Wang , Xiaowen Chu

Practical aperture synthesis imaging algorithms work by iterating between estimating the sky brightness distribution and a comparison of a prediction based on this estimate with the measured data ("visibilities"). Accuracy in the latter…

Instrumentation and Methods for Astrophysics · Physics 2021-02-26 Karel Adámek , Peter Wortmann , Bojan Nikolic , Ben Mort , Wesley Armour

We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…

Computational Physics · Physics 2012-04-06 Yutaka Uejima , Tomoharu Terashima , Ryo Maezono
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