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Parallel computing is a standard approach to achieving high-performance computing (HPC). Three commonly used methods to implement parallel computing include: 1) applying multithreading technology on single-core or multi-core CPUs; 2)…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-09-18 Xinyao Yi

Realistic simulations in engineering or in the materials sciences can consume enormous computing resources and thus require the use of massively parallel supercomputers. The probability of a failure increases both with the runtime and with…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-30 Nils Kohl , Johannes Hötzer , Florian Schornbaum , Martin Bauer , Christian Godenschwager , Harald Köstler , Britta Nestler , Ulrich Rüde

We present teraflop-scale calculations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved with the fast multipole method (FMM) in conjunction with a…

Computational Engineering, Finance, and Science · Computer Science 2011-09-21 Rio Yokota , Jaydeep P. Bardhan , Matthew G. Knepley , L. A. Barba , Tsuyoshi Hamada

Dispersion-free ultra-high order FFT-based Maxwell solvers have recently proven to be paramount to a large range of applications, including the high-fidelity modeling of high-intensity laser-matter interactions with Particle-In-Cell (PIC)…

Computational Physics · Physics 2019-10-02 Haithem Kallala , Jean-Luc Vay , Henri Vincenti

The fast marching method is well-known for its worst-case optimal computational complexity in solving the Eikonal equation, and has been employed in numerous scientific and engineering fields. However, it has barely benefited from…

Computational Physics · Physics 2018-11-02 Jianming Yang

We introduce jaxFMM, an open-source, adaptive, highly parallel point-charge Fast Multipole Method implementation for the Laplace kernel written in JAX. It is based on a non-uniform refinement strategy, which results in extremely concise and…

Computational Physics · Physics 2025-11-20 Robert Kraft , Florian Bruckner , Dieter Suess , Claas Abert

Nowadays, several industrial applications are being ported to parallel architectures. These applications take advantage of the potential parallelism provided by multiple core processors. Many-core processors, especially the GPUs(Graphics…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-03-28 Wendell Rodrigues , Frédéric Guyomarc'h , Jean-Luc Dekeyser

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 Fast Multipole Method (FMM) is an efficient numerical algorithm for computation of long-ranged forces in $N$-body problems within gravitational and electrostatic fields. This method utilizes multipole expansions of the Green's function…

Machine Learning · Computer Science 2025-09-26 Emilio McAllister Fognini , Marta M. Betcke , Ben T. Cox

In this work we present a variant of the fast multipole method (FMM) for efficiently evaluating standard layer potentials on geometries with complex coordinates in two and three dimensions. The complex scaled boundary integral method for…

Numerical Analysis · Mathematics 2025-10-20 Tristan Goodwill , Leslie Greengard , Jeremy Hoskins , Manas Rachh , Yuguan Wang

Multiple-precision floating-point branch-free algorithms can significantly accelerate multi-component arithmetic implemented by combining hardware-based binary64 and binary32, particularly for triple- and quadruple-precision computations.…

Mathematical Software · Computer Science 2026-05-08 Tomonori Kouya

Measurement fidelity matrices (MFMs) (also called error kernels) are a natural way to characterize state preparation and measurement errors in near-term quantum hardware. They can be employed in post processing to mitigate errors and…

Computational intensity and sequential nature of estimation techniques for Bayesian methods in statistics and machine learning, combined with their increasing applications for big data analytics, necessitate both the identification of…

Computation · Statistics 2015-03-02 Alireza S. Mahani , Mansour T. A. Sharabiani

Computing on graphics processors is maybe one of the most important developments in computational science to happen in decades. Not since the arrival of the Beowulf cluster, which combined open source software with commodity hardware to…

Mathematical Software · Computer Science 2011-09-21 Felipe A. Cruz , Simon K. Layton , Lorena A. Barba

Fast Multipole Methods (FMMs) based on the oscillatory Helmholtz kernel can reduce the cost of solving N-body problems arising from Boundary Integral Equations (BIEs) in acoustic or electromagnetics. However, their cost strongly increases…

Numerical Analysis · Mathematics 2022-02-11 Igor Chollet , Xavier Claeys , Pierre Fortin , Laura Grigori

This paper presents the first parallel implementation of the novel "Interpolated Factored Green Function" (IFGF) method introduced recently for the accelerated evaluation of discrete integral operators arising in wave scattering and other…

Numerical Analysis · Mathematics 2022-05-12 Christoph Bauinger , Oscar P. Bruno

The present work attempts to integrate the independent efforts in the fast N-body community to create the fastest N-body library for many-core and heterogenous architectures. Focus is placed on low accuracy optimizations, in response to the…

Numerical Analysis · Computer Science 2012-09-20 Rio Yokota

In this paper we solve on GPUs massive problems with large amount of data, which are not appropriate for solution with the SIMD technology. For the given problem we consider a three-level parallelization. The multithreading of CPU is used…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-02-18 Natalya Litvinenko

Traditional heterogeneous parallel algorithms, designed for heterogeneous clusters of workstations, are based on the assumption that the absolute speed of the processors does not depend on the size of the computational task. This assumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-15 Alexey Lastovetsky , Ravi Reddy , Vladimir Rychkov , David Clarke

In boundary element methods (BEM) in $\mathbb{R}^3$, matrix elements and right hand sides are typically computed via analytical or numerical quadrature of the layer potential multiplied by some function over line, triangle and tetrahedral…

Numerical Analysis · Mathematics 2023-04-06 Nail A. Gumerov , Shoken Kaneko , Ramani Duraiswami