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This paper describes the software package Cucheb, a GPU implementation of the filtered Lanczos procedure for the solution of large sparse symmetric eigenvalue problems. The filtered Lanczos procedure uses a carefully chosen polynomial…

Numerical Analysis · Mathematics 2024-09-24 Jared L. Aurentz , Vassilis Kalantzis , Yousef Saad

Heterogeneous computing environments combining CPU and GPU resources provide a great boost to large-scale scientific computing applications. Code generation utilities that partition the work into CPU and GPU tasks while considering data…

Computational Engineering, Finance, and Science · Computer Science 2023-06-01 Eric Heisler , Siddharth Saurav , Aadesh Deshmukh , Sandip Mazumder , Ponnuswamy Sadayappan , Hari Sundar

Porting applications to new hardware or programming models is a tedious and error prone process. Every help that eases these burdens is saving developer time that can then be invested into the advancement of the application itself instead…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-11-07 Erik Zenker , Benjamin Worpitz , René Widera , Axel Huebl , Guido Juckeland , Andreas Knüpfer , Wolfgang E. Nagel , Michael Bussmann

The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…

Chemical Physics · Physics 2015-07-03 Fang Liu , Nathan Luehr , Heather J. Kulik , Todd J. Martínez

Fluid dynamics simulations with the lattice Boltzmann method (LBM) are very memory-intensive. Alongside reduction in memory footprint, significant performance benefits can be achieved by using FP32 (single) precision compared to FP64…

Computational Physics · Physics 2022-07-28 Moritz Lehmann , Mathias J. Krause , Giorgio Amati , Marcello Sega , Jens Harting , Stephan Gekle

To address the challenge of performance portability, and facilitate the implementation of electronic structure solvers, we developed the Basic Matrix Library (BML) and Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure…

Memory-bound algorithms show complex performance and energy consumption behavior on multicore processors. We choose the lattice-Boltzmann method (LBM) on an Intel Sandy Bridge cluster as a prototype scenario to investigate if and how…

Performance · Computer Science 2015-05-25 Markus Wittmann , Georg Hager , Thomas Zeiser , Jan Treibig , Gerhard Wellein

Modern day applications have grown in size and require more computational power. The rise of machine learning and AI increased the need for parallel computation, which has increased the need for GPGPUs. With the increasing demand for…

Hardware Architecture · Computer Science 2025-03-25 Injae Shin , Blaise Tine

In this paper we present a simulation environment enhanced with parallel processing which can be used on personal computers, based on a high-level user interface developed on Mathematica\copyright which is connected to C++ code in order to…

Quantum Physics · Physics 2011-03-09 Sandra Díaz-Pier , Salvador E. Venegas-Andraca , José Luis Gómez-Muñoz

One of the current challenges in physically-based simulations, and, more specifically, fluid simulations, is to produce visually appealing results at interactive rates, capable of being used in multiple forms of media. In recent times, a…

Graphics · Computer Science 2024-04-17 Pedro Centeno , João Madeiras Pereira

The latest Graphics Processing Units (GPUs) are reported to reach up to 200 billion floating point operations per second (200 Gflops) and to have price performance of 0.1 cents per M flop. These facts raise great interest in the…

Graphics · Computer Science 2016-08-31 S. Tomov , M. McGuigan , R. Bennett , G. Smith , J. Spiletic

Linear Programs (LPs) appear in a large number of applications and offloading them to the GPU is viable to gain performance. Existing work on offloading and solving an LP on GPU suggests that performance is gained from large sized LPs…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-09-27 Amit Gurung , Rajarshi Ray

Micro-macro models provide a powerful tool to study the relationship between microscale mechanisms and emergent macroscopic behavior. However, the detailed microscopic modeling may require tracking and evolving a high-dimensional…

Computational Physics · Physics 2019-08-13 Steven Cook , Tamar Shinar

While Model Predictive Control (MPC) delivers strong performance across robotics applications, solving the underlying (batches of) nonlinear trajectory optimization (TO) problems online remains computationally demanding. Existing…

Robotics · Computer Science 2026-05-11 Alexander Du , Emre Adabag , Gabriel Bravo-Palacios , Brian Plancher

Implicit methods and GPU parallelization are two distinct yet powerful strategies for accelerating high-order CFD algorithms. However, few studies have successfully integrated both approaches within high-speed flow solvers. The core…

Numerical Analysis · Mathematics 2025-09-09 Hongyu Liu , Xing Ji , Yuan Fu , Kun Xu

Computational fluid dynamics (CFD) requires a vast amount of compute cycles on contemporary large-scale parallel computers. Hence, performance optimization is a pivotal activity in this field of computational science. Not only does it…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-12-24 M. Wittmann , T. Zeiser , G. Hager , G. Wellein

GPU-embedded systems have gained popularity across various domains due to their efficient power consumption. However, in order to meet the demands of real-time or time-consuming applications running on these systems, it is crucial for them…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-17 Adrian Perez Dieguez , Margarita Amor Lopez

Turbulent flows and fluid-structure interactions (FSI) are ubiquitous in scientific and engineering applications, but their accurate and efficient simulation remains a major challenge due to strong nonlinearities, multiscale interactions,…

Fluid Dynamics · Physics 2025-06-02 Xiantao Fan , Xinyang Liu , Meng Wang , Jian-Xun Wang

Numerical investigation of compressible flows faces two main challenges. In order to accurately describe the flow characteristics, high-resolution nonlinear numerical schemes are needed to capture discontinuities and resolve wide…

Computational Physics · Physics 2020-12-09 Nils Hoppe , Stefan Adami , Nikolaus A. Adams

This paper presents efforts to improve the hierarchical parallelism of a two scale simulation code. Two methods to improve the GPU parallel performance were developed and compared. The first used the NVIDIA Multi-Process Service and the…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-15 Jacob Merson , Mark S. Shephard