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Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

In this paper, the OpenACC heterogeneous parallel programming model is successfully applied to modification and acceleration of the three-dimensional Tokamak magnetohydrodynamical code (CLTx). Through combination of OpenACC and MPI…

Computational Physics · Physics 2019-10-31 H. W. Zhang , J. Zhu , Z. W. Ma , G. Y. Kan , X. Wang , W. Zhang

The modern trend in High-Performance Computing (HPC) involves the use of accelerators such as Graphics Processing Units (GPUs) alongside Central Processing Units (CPUs) to speed up numerical operations in various applications. Leading…

Mathematical Software · Computer Science 2025-07-25 Giulio Malenza , Giovanni Stabile , Filippo Spiga , Robert Birke , Marco Aldinucci

A finite-difference Micromagnetic solver is presented utilizing the C++ Accelerated Massive Parallelism (C++ AMP). The high speed performance of a single Graphics Processing Unit (GPU) is demonstrated compared to a typical CPU-based solver.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-07 Ru Zhu

In this paper, an efficient divide-and-conquer (DC) algorithm is proposed for the symmetric tridiagonal matrices based on ScaLAPACK and the hierarchically semiseparable (HSS) matrices. HSS is an important type of rank-structured…

Mathematical Software · Computer Science 2016-12-27 Shengguo Li , Francois-Henry Rouet , Jie Liu , Chun Huang , Xingyu Gao , Xuebin Chi

In this paper we describe an autotuning tool for optimization of OpenMP applications on highly multicore and multithreaded architectures. Our work was motivated by in-depth performance analysis of scientific applications and synthetic…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-01-17 Jakub Katarzyński , Maciej Cytowski

A parallel implementation of an eigensolver designed for electronic structure calculations is presented. The method is applicable to computational tasks that solve a sequence of eigenvalue problems where the solution for a particular…

Computational Physics · Physics 2015-03-02 E. L. Briggs , C. T. Kelley , J. Bernholc

Clawpack is a library for solving nonlinear hyperbolic partial differential equations using high-resolution finite volume methods based on Riemann solvers and limiters. It supports Adaptive Mesh Refinement (AMR), which is essential in…

Mathematical Software · Computer Science 2018-08-09 Xinsheng Qin , Randall J. LeVeque , Michael R. Motley

We present our experience with the modernization on the GR-MHD code BHAC, aimed at improving its novel hybrid (MPI+OpenMP) parallelization scheme. In doing so, we showcase the use of performance profiling tools usable on x86 (Intel-based)…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-30 Salvatore Cielo , Oliver Porth , Luigi Iapichino , Anupam Karmakar , Hector Olivares , Chun Xia

Evaluating high-dimensional integrals via deep hierarchical recurrences is a dominant cost in quantum chemistry. While CPUs manage these efficiently, GPUs suffer a critical mismatch: limited per-thread memory is quickly overwhelmed by an…

Computational Physics · Physics 2026-05-14 Yihong Zhang , Xinran Wei , Junshi Chen , Fusong Ju , Wei Hu , Jinlong Yang , Huanhuan Xia

Recent advances in multi and many-core processors have led to significant improvements in the performance of scientific computing applications. However, the addition of a large number of complex cores have also increased the overall power…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-02-23 Akash Dutta , Jee Choi , Ali Jannesari

We present a portable platform, called PIC_ENGINE, for accelerating Particle-In-Cell (PIC) codes on heterogeneous many-core architectures such as Graphic Processing Units (GPUs). The aim of this development is efficient simulations on…

Computational Physics · Physics 2016-06-08 F. Hariri , T. M. Tran , A. Jocksch , E. Lanti , J. Progsch , P. Messmer , S. Brunner , G. Gheller , L. Villard

To analyze large sets of grid states, e.g. when evaluating the impact from the uncertainties of the renewable generation with probabilistic Monte Carlo simulation or in stationary time series simulation, large number of power flow…

Computational Engineering, Finance, and Science · Computer Science 2021-04-29 Zhenqi Wang , Sebastian Wende-von Berg , Martin Braun

We describe how quantum Monte Carlo calculations using the CASINO software can be accelerated using graphics processing units (GPUs) and OpenACC. In particular we consider offloading Ewald summation, the evaluation of long-range two-body…

Computational Physics · Physics 2025-12-24 B. Thorpe , M. J. Smith , P. J. Hasnip , N. D. Drummond

Many modern parallel computing systems are heterogeneous at their node level. Such nodes may comprise general purpose CPUs and accelerators (such as, GPU, or Intel Xeon Phi) that provide high performance with suitable energy-consumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-04-19 Suejb Memeti , Lu Li , Sabri Pllana , Joanna Kolodziej , Christoph Kessler

The exponential growth of computational workloads is surpassing the capabilities of conventional architectures, which are constrained by fundamental limits. In-memory computing (IMC) with RRAM provides a promising alternative by providing…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-09 Huynh Q. N. Vo , Md Tawsif Rahman Chowdhury , Paritosh Ramanan , Gozde Tutuncuoglu , Junchi Yang , Feng Qiu , Murat Yildirim

Scientific computing in the exascale era demands increased computational power to solve complex problems across various domains. With the rise of heterogeneous computing architectures the need for vendor-agnostic, performance portability…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-05 Johansell Villalobos , Josef Ruzicka , Silvio Rizzi

The increasing number of processing elements and decreas- ing memory to core ratio in modern high-performance platforms makes efficient strong scaling a key requirement for numerical algorithms. In order to achieve efficient scalability on…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-01-14 Michael Lange , Gerard Gorman , Michele Weiland , Lawrence Mitchell , James Southern

Open Computing Language (OpenCL) is a parallel processing language that is ideally suited for running parallel algorithms on Graphical Processing Units (GPUs). In the present work we report on the development of a generic parallel…

Computational Physics · Physics 2012-05-31 Cathal Ó Broin , L. A. A. Nikolopoulos

The present work describes the development of heterogeneous GPGPU implicit CFD coupled solvers, encompassing both density- and pressure- based approaches. In this setup, the assembled linear matrix is offloaded onto multiple GPUs using…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-14 Stefano Oliani , Ettore Fadiga , Ivan Spisso , Luigi Capone , Federico Piscaglia
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