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In this paper we revisit stencil methods on GPUs in the context of exponential integrators. We further discuss boundary conditions, in the same context, and show that simple boundary conditions (for example, homogeneous Dirichlet or…

Numerical Analysis · Computer Science 2014-05-27 Lukas Einkemmer , Alexander Ostermann

Generation of optimal codes is a well known problem in coding theory. Many computational approaches exist in the literature for finding record breaking codes. However generating codes with long lengths $n$ using serial algorithms is…

Information Theory · Computer Science 2015-07-21 Srajan Paliwal , Saurabh Tiwary , Bhaskar Chaudhury , Manish K. Gupta

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

Oscillation probability calculations are becoming increasingly CPU intensive in modern neutrino oscillation analyses. The independency of reweighting individual events in a Monte Carlo sample lends itself to parallel implementation on a…

Data Analysis, Statistics and Probability · Physics 2014-05-12 R. G. Calland , A. C. Kaboth , D. Payne

The efficacy of deep learning has resulted in its use in a growing number of applications. The Volta graphics processor unit (GPU) architecture from NVIDIA introduced a specialized functional unit, the "tensor core", that helps meet the…

Mathematical Software · Computer Science 2019-02-22 Md Aamir Raihan , Negar Goli , Tor Aamodt

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 and discuss the characteristics and performances, both in term of computational speed and precision, of a numerical code which numerically integrates the equation of motions of N 'particles' interacting via Newtonian gravitation…

Instrumentation and Methods for Astrophysics · Physics 2015-05-18 R. Capuzzo-Dolcetta , A. Mastrobuono-Battisti , D. Maschietti

The convex hull is a fundamental geometrical structure for many applications where groups of points must be enclosed or represented by a convex polygon. Although efficient sequential convex hull algorithms exist, and are constantly being…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-09-27 Alan Keith , Héctor Ferrada , Cristóbal A. Navarro

We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…

Materials Science · Physics 2025-07-31 Xuejun Gong , Andrea Dal Corso

Lattice spin models are useful for studying critical phenomena and allow the extraction of equilibrium and dynamical properties. Simulations of such systems are usually based on Monte Carlo (MC) techniques, and the main difficulty is often…

Computational Physics · Physics 2012-09-13 Tal Levy , Guy Cohen , Eran Rabani

We present our experience of porting the code used in the wave-packet convergent-close-coupling (WP-CCC) approach to run on NVIDIA V100 and AMD MI250X GPUs. The WP-CCC approach is a method used in the field of ion-atom collision physics to…

Computational Physics · Physics 2024-03-08 I. B. Abdurakhmanov , N. W. Antonio , M. Cytowski , A. S. Kadyrov

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-19 Jinghai He , Haoyu Liu , Yuhang Wu , Zeyu Zheng , Tingyu Zhu

A modern graphics processing unit (GPU) is able to perform massively parallel scientific computations at low cost. We extend our implementation of the checkerboard algorithm for the two dimensional Ising model [T. Preis et al., J. Comp.…

Computational Physics · Physics 2010-07-22 Benjamin Block , Peter Virnau , Tobias Preis

High-throughput physics experiments require efficient and increasingly complex real-time processing. This paper presents a modular, software-defined platform combining high-bandwidth PCIe digitizers with consumer GPUs to achieve continuous,…

Instrumentation and Detectors · Physics 2026-05-12 Toma-Stefan Cezar , Marios Maroudas , Dieter Horns

The expedient design of precision components in aerospace and other high-tech industries requires simulations of physical phenomena often described by partial differential equations (PDEs) without exact solutions. Modern design problems…

Computational Physics · Physics 2018-01-11 Daniel J Magee , Kyle E Niemeyer

GPU architectures have become popular for executing general-purpose programs. Their many-core architecture supports a large number of threads that run concurrently to hide the latency among dependent instructions. In modern GPU…

Hardware Architecture · Computer Science 2024-01-19 Rodrigo Huerta , Mojtaba Abaie Shoushtary , Antonio González

We have developed GPU versions for two major high-performance-computing (HPC) applications originating from two different scientific domains. GENE is a plasma microturbulence code which is employed for simulations of nuclear fusion plasmas.…

Computational Physics · Physics 2013-10-08 Tilman Dannert , Andreas Marek , Markus Rampp

We present the extension of the Tinker-HP package (Lagard\`ere et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations using polarizable many-body force fields.…

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

The Nvidia GPU architecture has introduced new computing elements such as the \textit{tensor cores}, which are special processing units dedicated to perform fast matrix-multiply-accumulate (MMA) operations and accelerate \textit{Deep…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-12 Roberto Carrasco , Raimundo Vega , Cristóbal A. Navarro