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This paper presents a spectral element finite element scheme that efficiently solves elliptic problems on unstructured hexahedral meshes. The discrete equations are solved using a matrix-free preconditioned conjugate gradient algorithm. An…

Computational Engineering, Finance, and Science · Computer Science 2016-09-21 J. -F. Remacle , R. Gandham , T. Warburton

A high fidelity flow simulation for complex geometries for high Reynolds number ($Re$) flow is still very challenging, which requires more powerful computational capability of HPC system. However, the development of HPC with traditional CPU…

Computational Physics · Physics 2022-03-03 Chuangchao Ye , Pengjunyi Zhang , Rui Yan , Dejun Sun , Zhenhua Wan

Matrix multiplication is a foundational operation in scientific computing and machine learning, yet its computational complexity makes it a significant bottleneck for large-scale applications. The shift to parallel architectures, primarily…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-30 Mufakir Qamar Ansari , Mudabir Qamar Ansari

The reliability of cardiovascular computational models depends on the accurate solution of the hemodynamics, the realistic characterization of the hyperelastic and electric properties of the tissues along with the correct description of…

Lattice simulations of Quantum Chromodynamics (QCD) enable one to calculate the low-energy properties of the strong interaction among quarks and gluons based on the first principle. The most time-consuming part of the numerical simulations…

High Energy Physics - Lattice · Physics 2026-02-17 Wei-Lun Chen , Issaku Kanamori , Hideo Matsufuru , Hartmut Neff

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-12-01 Yu-Hang Tang , George Em Karniadakis

We describe the use of Graphics Processing Units (GPUs) for speeding up the code NBODY6 which is widely used for direct $N$-body simulations. Over the years, the $N^2$ nature of the direct force calculation has proved a barrier for…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 Keigo Nitadori , Sverre J. Aarseth

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Kiril S. Shterev

To effectively control large-scale distributed systems online, model predictive control (MPC) has to swiftly solve the underlying high-dimensional optimization. There are multiple techniques applied to accelerate the solving process in the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-30 Carmen Amo Alonso , Shih-Hao Tseng

Developing parallel algorithms efficiently requires careful management of concurrency across diverse hardware architectures. C++ executors provide a standardized interface that simplifies the development process, allowing developers to…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-22 Karame Mohammadiporshokooh , Steven R. Brandt , Hartmut Kaiser

It is demonstrated how the non-proprietary OpenACC standard of compiler directives may be used to compactly and efficiently accelerate the rate-determining steps of two of the most routinely applied many-body methods of electronic structure…

Chemical Physics · Physics 2017-09-15 Janus Juul Eriksen

Quantum chromodynamics (QCD) is the theory of subnuclear physics, aiming at mod- eling the strong nuclear force, which is responsible for the interactions of nuclear particles. Lattice QCD (LQCD) is the corresponding discrete formulation,…

Programming Languages · Computer Science 2012-08-21 Denis Barthou , Gilbert Grosdidier , Michael Kruse , Olivier Pène , Claude Tadonki

We describe how we have used simultaneously ${\cal O}(10^3)$ nodes of the EGEE Grid, accumulating ca. 300 CPU-years in 2-3 months, to determine an important property of Quantum Chromodynamics. We explain how Grid resources were exploited…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-11-20 Jakub T. Mościcki , Maciej Woś , Massimo Lamanna , Philippe de Forcrand , Owe Philipsen

GPUs and other accelerators are popular devices for accelerating compute-intensive, parallelizable applications. However, programming these devices is a difficult task. Writing efficient device code is challenging, and is typically done in…

Programming Languages · Computer Science 2018-10-23 Tim Besard , Christophe Foket , Bjorn De Sutter

This paper introduces a parallel implementation in CUDA/C++ of the Gaussian process with a decomposed kernel. This recent formulation, introduced by Joukov and Kuli\'c (2022), is characterized by an approximated -- but much smaller --…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-20 Davide Carminati

Adaptive finite elements combined with geometric multigrid solvers are one of the most efficient numerical methods for problems such as the instationary Navier-Stokes equations. Yet despite their efficiency, computations remain expensive…

Numerical Analysis · Mathematics 2025-12-23 Manuel Liebchen , Robert Jendersie , Utku Kaya , Christian Lessig , Thomas Richter

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

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

Many applications are increasingly requiring numerical simulations for solving complex problems. Most of these numerical algorithms are massively parallel and often implemented on parallel high-performance computers. However, classic…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-02 Karl F. A. Friebel , Stephanie Soldavini , Gerald Hempel , Christian Pilato , Jeronimo Castrillon

Computational memory (CM) is a promising approach for accelerating inference on neural networks (NN) by using enhanced memories that, in addition to storing data, allow computations on them. One of the main challenges of this approach is…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-04-27 Kornilios Kourtis , Martino Dazzi , Nikolas Ioannou , Tobias Grosser , Abu Sebastian , Evangelos Eleftheriou