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We propose a generic algorithmic building block to accelerate training of machine learning models on heterogeneous compute systems. Our scheme allows to efficiently employ compute accelerators such as GPUs and FPGAs for the training of…

Machine Learning · Computer Science 2017-11-08 Celestine Dünner , Thomas Parnell , Martin Jaggi

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

Over the last couple of years it has been realized that the vast computational power of graphics processing units (GPUs) could be harvested for purposes other than the video game industry. This power, which at least nominally exceeds that…

Statistical Mechanics · Physics 2011-07-26 Martin Weigel

Due to decelerating gains in single-core CPU performance, computationally expensive simulations are increasingly executed on highly parallel hardware platforms. Agent-based simulations, where simulated entities act with a certain degree of…

Multiagent Systems · Computer Science 2018-07-04 Jiajian Xiao , Philipp Andelfinger , David Eckhoff , Wentong Cai , Alois Knoll

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

With large-scale Integral Field Spectroscopy (IFS) surveys of thousands of galaxies currently under-way or planned, the astronomical community is in need of methods, techniques and tools that will allow the analysis of huge amounts of data.…

Instrumentation and Methods for Astrophysics · Physics 2015-12-22 Georgios Bekiaris , Karl Glazebrook , Christopher J. Fluke , Roberto Abraham

Particle tracking simulations with space charge effects are very important for high-intensity proton rings. Since they include not only Hamilton mechanics of a single particle but constructing charge densities and solving Poisson equations…

Accelerator Physics · Physics 2021-09-01 Yoshinori Kurimoto

Path integral Monte Carlo (PIMC) and path integral molecular dynamics (PIMD) provide the golden standard for the ab initio simulations of identical particles. In this work, we achieved significant GPU acceleration based on PIMD, which is…

Computational Physics · Physics 2026-03-31 Yunuo Xiong

The field of plasma physics heavily relies on simulations to model various phenomena, such as instabilities, turbulence, and nonlinear behaviors that would otherwise be difficult to study from a purely theoretical approach. Simulations are…

Plasma Physics · Physics 2026-02-05 Giorgio Daneri

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

This paper introduces the Sheffield Magnetohydrodynamics Algorithm Using GPUs (SMAUG+), an advanced numerical code for solving magnetohydrodynamic (MHD) problems, using multi-GPU systems. Multi-GPU systems facilitate the development of…

Computational Physics · Physics 2017-12-01 N. Gyenge , M. K. Griffiths , R. Erdélyi

This paper presents a Graphics Processing Units (GPUs) acceleration method of an iterative scheme for gas-kinetic model equations. Unlike the previous GPU parallelization of explicit kinetic schemes, this work features a fast converging…

Computational Physics · Physics 2020-01-08 Lianhua Zhu , Peng Wang , Songze Chen , Zhaoli Guo , Yonghao Zhang

We present an approach to molecular-dynamics simulations of ferrofluids on graphics processing units (GPUs). Our numerical scheme is based on a GPU-oriented modification of the Barnes-Hut (BH) algorithm designed to increase the parallelism…

Computational Physics · Physics 2013-04-30 A. Yu. Polyakov , T. V. Lyutyy , S. Denisov , V. V. Reva , P. Hanggi

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

Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-18 Saeed Taheri , Apan Qasem , Martin Burtscher

GPU has a significantly higher performance in single-precision computing than that of double precision. Hence, it is important to take a maximal advantage of the single precision in the CG inverter, using the mixed precision method. We have…

Computational Physics · Physics 2011-11-02 Yong-Chull Jang , Hyung-Jin Kim , Weonjong Lee

Graphics Processing Unit, or GPUs, have been successfully adopted both for graphic computation in 3D applications, and for general purpose application (GP-GPUs), thank to their tremendous performance-per-watt. Recently, there is a big…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-03 Paolo Burgio

Simulations of systems with quenched disorder are extremely demanding, suffering from the combined effect of slow relaxation and the need of performing the disorder average. As a consequence, new algorithms, improved implementations, and…

Computational Physics · Physics 2020-05-20 Ravinder Kumar , Jonathan Gross , Wolfhard Janke , Martin Weigel

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-26 Amit Gurung , Rajarshi Ray

In this work we present an efficient implementation of Canonical Monte Carlo simulation for Coulomb many body systems on graphics processing units (GPU). Our method takes advantage of the GPU Single Instruction, Multiple Data (SIMD)…

Computational Physics · Physics 2017-03-13 Yihao Liang , Xiangjun Xing , Yaohang Li