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Large molecular dynamics simulations (millions of atoms, tens of microseconds, thousands of processors) hit the strong scalability wall: simulation on twice as many processors does not take half the time. Inspired by large N-body space…

Numerical Analysis · Computer Science 2013-10-21 Jana Pazúriková , Luděk Matyska

In this paper I describe some results on the use of virtual processors technology for parallelize some SPMD computational programs. The tested technology is the INTEL Hyper Threading on real processors, and the programs are MATLAB scripts…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Gianluca Argentini

Arrival of multicore systems has enforced a new scenario in computing, the parallel and distributed algorithms are fast replacing the older sequential algorithms, with many challenges of these techniques. The distributed algorithms provide…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-13 Rajendra Purohit , K R Chowdhary , S D Purohit

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

The paper deals with the developing of the methodological backgrounds for the modeling and simulation of complex dynamical objects. Such backgrounds allow us to perform coordinate transformation and formulate the algorithm of its usage for…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-07 Roman Voliansky , Andri Pranolo

We report the results of intensive numerical calculations for four atomic H2+H2 energy transfer collision. A parallel computing technique based on LAM/MPI functions is used. In this algorithm, the data is distributed to the processors…

Chemical Physics · Physics 2007-05-23 Renat A. Sultanov , Mark Nordby , Dennis Guster

Serial and parallel algorithms for simulation of tandem queueing systems with infinite buffers are presented, and their performance is examined. It is shown that the algorithms which are based on a simple computational procedure involve low…

Numerical Analysis · Mathematics 2012-10-25 Sergei M. Ermakov , Nikolai K. Krivulin

We describe an algorithm for dynamic load balancing of geometrically parallelized synchronous Monte Carlo simulations of physical models. This algorithm is designed for a (heterogeneous) multiprocessor system of the MIMD type with…

High Energy Physics - Lattice · Physics 2009-10-22 P. Altevogt , A. Linke

In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. This multiphysics algorithm employs an Eulerian description of fluid and ions, combined…

Computational Engineering, Finance, and Science · Computer Science 2018-05-29 Dominik Bartuschat , Ulrich Rüde

The general scheme of two-level parallelization (TLP) for direct simulation Monte Carlo of unsteady gas flows on shared memory multiprocessor computers has been described. The high efficient algorithm of parallel independent runs is used on…

Computational Engineering, Finance, and Science · Computer Science 2007-05-23 Alexander V. Bogdanov , Nick Yu. Bykov , Igor A. Grishin , Gregory O. Khanlarov , German A. Lukianov , Vladimir V. Zakharov

We investigate distributed memory parallel sorting algorithms that scale to the largest available machines and are robust with respect to input size and distribution of the input elements. The main outcome is that four sorting algorithms…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-17 Michael Axtmann , Peter Sanders

We present the basic idea, implementation, measured performance and performance model of FDPS (Framework for developing particle simulators). FDPS is an application-development framework which helps the researchers to develop particle-based…

Instrumentation and Methods for Astrophysics · Physics 2016-06-15 Masaki Iwasawa , Ataru Tanikawa , Natsuki Hosono , Keigo Nitadori , Takayuki Muranushi , Junichiro Makino

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

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

A random search algorithm intended to solve discrete optimization problems is considered. We outline the main components of the algorithm, and then describe it in more detail. We show how the algorithm can be implemented on parallel…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-11-13 Nikolai K. Krivulin , Dennis Guster , Charles Hall

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

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 our study we implemented and compared seven sequential and parallel sorting algorithms: bitonic sort, multistep bitonic sort, adaptive bitonic sort, merge sort, quicksort, radix sort and sample sort. Sequential algorithms were…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-13 Darko Bozidar , Tomaz Dobravec

Computational chemistry allows researchers to experiment in sillico: by running a computer simulations of a biological or chemical processes of interest. Molecular dynamics with molecular mechanics model of interactions simulates N-body…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-03-03 Jana Pazúriková

This paper proposes a parallel numerical algorithm to simulate the flow and the transport in a discrete fracture network taking into account the mass exchanges with the surrounding matrix. The discretization of the Darcy fluxes is based on…

Numerical Analysis · Mathematics 2016-11-18 Feng Xing , Roland Masson , Simon Lopez