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This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization…

Materials Science · Physics 2017-09-13 Chris M. Mangiardi , Ralf Meyer

We investigate the global scheduling of sporadic, implicit deadline, real-time task systems on multiprocessor platforms. We provide a task model which integrates job parallelism. We prove that the time-complexity of the feasibility problem…

Operating Systems · Computer Science 2008-05-22 S. Collette , L. Cucu , J. Goossens

Nested parallelism exists in scientific codes that are searching multi-dimensional spaces. However, implementations of nested parallelism often have overhead and load balance issues. The Orbital Analysis code we present exhibits a sparse…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-08-01 Benjamin James Gaska , Neha Jothi , Mahdi Soltan Mohammadi , Kat Volk , Michelle Mills Strout

We describe source code level parallelization for the {\tt kira} direct gravitational $N$-body integrator, the workhorse of the {\tt starlab} production environment for simulating dense stellar systems. The parallelization strategy, called…

We present an algorithm for cluster dynamics to efficiently simulate large systems on MIMD parallel computers with large numbers of processors. The method divides physical space into rectangular cells which are assigned to processors and…

High Energy Physics - Lattice · Physics 2009-10-22 Mike Flanigan , Pablo Tamayo

The modeling of atmospheric processes in the context of weather and climate simulations is an important and computationally expensive challenge. The temporal integration of the underlying PDEs requires a very large number of time steps,…

Numerical Analysis · Mathematics 2020-01-03 Francois P. Hamon , Martin Schreiber , Michael L. Minion

We present a computational algorithm for computing short range forces between particles. The algorithm has two distinguishing features. First, it is optimized for multi-processor computers, and will use as many processors as are available.…

Astrophysics · Physics 2008-02-03 Robert C. Ferrell , Edmund Bertschinger

Calculating the correlation in a sliding window is a common method of statistical evaluation of the interconnect between two sets of data. And although the calculation of a single correlation coefficient is not resource-intensive and…

Data Structures and Algorithms · Computer Science 2018-07-18 Alexey Poyda , Mikhail Zhizhin

An efficient parallelization approach to simulate optical properties of ensembles of quantum emitters in realistic electromagnetic environments is considered. It relies on balancing computing load of utilized processors and is built into…

Computational Physics · Physics 2023-02-01 Maxim Sukharev

Using a Newtonian model of the Solar System with all 8 planets, we perform extensive tests on various symplectic integrators of high orders, searching for the best splitting scheme for long term studies in the Solar System. These…

Earth and Planetary Astrophysics · Physics 2015-06-11 Ariadna Farrés , Jacques Laskar , Sergio Blanes , Fernando Casas , Joseba Makazaga , Ander Murua

Optimistic parallelization is a promising approach for the parallelization of irregular algorithms: potentially interfering tasks are launched dynamically, and the runtime system detects conflicts between concurrent activities, aborting and…

Programming Languages · Computer Science 2012-06-28 Francesco Versaci , Keshav Pingali

This article presents the parallel implementation of the coupled harmonic oscillator. From the analytical solution of the coupled harmonic oscillator, the design parameters are obtained. After that, a numerical integration of the system…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-02-09 Anas M. Al-Oraiqat

Context. Due to our increasing knowledge on the Galactic and stellar neighborhood of the Solar System, modern long-period comet motion studies have to take into account both stellar perturbations and the overall Galactic potential. Aims.…

Earth and Planetary Astrophysics · Physics 2022-01-12 Piotr A. Dybczyński , Sławomir Breiter

This paper addresses the problem of parallelizing computations to study non-linear dynamics in large networks of non-locally coupled oscillators using heterogeneous computing resources. The proposed approach can be applied to a variety of…

Chaotic Dynamics · Physics 2025-07-04 Oleksandr Sudakov , Volodymyr Maistrenko

Optimal multiple sequence alignment by dynamic programming, like many highly dimensional scientific computing problems, has failed to benefit from the improvements in computing performance brought about by multi-processor systems, due to…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Manal Helal , Hossam El-Gindy , Lenore Mullin , Bruno Gaeta

Recent years have witnessed an unprecedented increase in experiments and hybrid simulations involving quantum computers. In particular, quantum annealers. Although quantum supremacy has not been established thus far, there exist a plethora…

Quantum Physics · Physics 2019-12-10 Konrad Jałowiecki , Andrzej Więckowski , Piotr Gawron , Bartłomiej Gardas

Several classic problems in graph processing and computational geometry are solved via incremental algorithms, which split computation into a series of small tasks acting on shared state, which gets updated progressively. While the…

Data Structures and Algorithms · Computer Science 2020-03-24 Dan Alistarh , Nikita Koval , Giorgi Nadiradze

A review of the literature reveals that while parallel computing is sometimes employed by astronomers for custom, large-scale calculations, no package fosters the routine application of parallel methods to standard problems in astronomical…

Astrophysics · Physics 2007-05-23 M. S. Noble , J. C. Houck , J. E. Davis , A. Young , M. Nowak

This report discusses the implementation of two parallel algorithms on a distributed memory system for studying vortex dynamics in type-II superconductors. These algorithms are the same as that implemented for classical molecular dynamics…

Superconductivity · Physics 2007-05-23 Mahesh Chandran

An algorithm is discussed for converting a class of recursive processes to a parallel system. It is argued that this algorithm can be superior to certain methods currently found in the literature for an important subset of problems. The…

Computational Physics · Physics 2009-11-10 W. R. Gibbs