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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

Most relatively modern desktop or even laptop computers contain a graphics card useful for more than showing colors on a screen. In this paper, we make a case for why you should learn enough about GPU (graphics processing unit) computing to…

Computational Physics · Physics 2013-05-17 Knut Skogstrand Gjerden

Over the last ten years, graphics processors have become the de facto accelerator for data-parallel tasks in various branches of high-performance computing, including machine learning and computational sciences. However, with the recent…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-28 Johannes Pekkilä , Oskar Lappi , Fredrik Robertsén , Maarit J. Korpi-Lagg

The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude performance advances using commodity hardware. To fully reap these…

Computational Physics · Physics 2020-10-28 Szilárd Páll , Artem Zhmurov , Paul Bauer , Mark Abraham , Magnus Lundborg , Alan Gray , Berk Hess , Erik Lindahl

The edge computing paradigm has emerged to handle cloud computing issues such as scalability, security and low response time among others. This new computing trend heavily relies on ubiquitous embedded systems on the edge. Performance and…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-28 Mohammad Hosseinabady , Mohd Amiruddin Bin Zainol , Jose Nunez-Yanez

General purpose computing on graphics processing units (GPGPU) is dramatically changing the landscape of high performance computing in astronomy. In this paper, we identify and investigate several key decision areas, with a goal of…

Instrumentation and Methods for Astrophysics · Physics 2011-01-25 Christopher J. Fluke , David G. Barnes , Benjamin R. Barsdell , Amr H. Hassan

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

High-resolution tri-axial simulations are indispensable for realistically co-modeling the dynamical signatures and the radiative fingerprints of astrophysical jets, which are becoming increasingly important in modern computational studies…

Astrophysics of Galaxies · Physics 2026-02-26 Gourab Giri , Andrea Mignone , Alessio Suriano , Marco Rossazza , Stefano Truzzi

Accurate hardware performance models are critical to efficient code generation. They can be used by compilers to make heuristic decisions, by superoptimizers as a minimization objective, or by autotuners to find an optimal configuration for…

There is a large body of legacy scientific code written in languages like Fortran that is not optimised to get the best performance out of heterogeneous acceleration devices like GPUs and FPGAs, and manually porting such code into parallel…

Performance · Computer Science 2019-01-25 Wim Vanderbauwhede , Syed Waqar Nabi

Finite element schemes based on discontinuous Galerkin methods possess features amenable to massively parallel computing accelerated with general purpose graphics processing units (GPUs). However, the computational performance of such…

Computational Physics · Physics 2016-04-20 Axel Modave , Amik St-Cyr , Tim Warburton

We describe our contribution as industrial stakeholders to the existing open-source GPU4PySCF project (https: //github.com/pyscf/gpu4pyscf), a GPU-accelerated Python quantum chemistry package. We have integrated GPU acceleration into other…

This paper studies rule-based blocking in Entity Resolution (ER). We propose HyperBlocker, a GPU-accelerated system for blocking in ER. As opposed to previous blocking algorithms and parallel blocking solvers, HyperBlocker employs a…

Databases · Computer Science 2024-12-16 Xiaoke Zhu , Min Xie , Ting Deng , Qi Zhang

The alternating direction method of multipliers (ADMM) is a powerful operator splitting technique for solving structured convex optimization problems. Due to its relatively low per-iteration computational cost and ability to exploit…

Optimization and Control · Mathematics 2020-06-09 Michel Schubiger , Goran Banjac , John Lygeros

We introduce GRiD: a GPU-accelerated library for computing rigid body dynamics with analytical gradients. GRiD was designed to accelerate the nonlinear trajectory optimization subproblem used in state-of-the-art robotic planning, control,…

Robotics · Computer Science 2023-03-03 Brian Plancher , Sabrina M. Neuman , Radhika Ghosal , Scott Kuindersma , Vijay Janapa Reddi

The prediction of a dielectric breakdown in a high-voltage device is based on criteria that evaluate the electric field along field lines. Therefore it is necessary to efficiently compute the electric field at arbitrary points in space. A…

Numerical Analysis · Mathematics 2020-11-03 Cedric Münger , Steffen Börm , Jörg Ostrowski

Fast 4$\pi$ solid angle particle track recognition has been a challenge in particle physics for a long time, especially in using nuclear emulsion detectors. The recent advances in computing technology opened the way for its realization. A…

Instrumentation and Detectors · Physics 2015-06-18 A. Ariga , T. Ariga

Graphics Processing Units (GPUs) have revolutionized the computing landscape over the past decade. However, the growing energy demands of data centres and computing facilities equipped with GPUs come with significant capital and…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-15 Richard Schoonhoven , Bram Veenboer , Ben van Werkhoven , Kees Joost Batenburg

We carry out a comparative performance study of multi-core CPUs, GPUs and Intel Xeon Phi (Many Integrated Core - MIC) with a microscopy image analysis application. We experimentally evaluate the performance of computing devices on core…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-05-15 George Teodoro , Tahsin Kurc , Guilherme Andrade , Jun Kong , Renato Ferreira , Joel Saltz

Open-source simulation tools play a crucial role for neuromorphic application engineers and hardware architects to investigate performance bottlenecks and explore design optimizations before committing to silicon. Reconfigurable…

Emerging Technologies · Computer Science 2024-04-26 Sahil Hassan , Michael Inouye , Miguel C. Gonzalez , Ilkin Aliyev , Joshua Mack , Maisha Hafiz , Ali Akoglu