Molecular Dynamics On Parallel Computers

Molecular Dynamics On Parallel Computers

Author: Peter Grassberger

Publisher: World Scientific

Published: 2000-02-22

Total Pages: 395

ISBN-13: 9814493554

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Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task.This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.


Visualization of Parallel Molecular Dynamics Simulation on a Remote Visualization Platform

Visualization of Parallel Molecular Dynamics Simulation on a Remote Visualization Platform

Author:

Publisher:

Published: 1994

Total Pages: 7

ISBN-13:

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Visualization requires high performance computers. In order to use these shared high performance computers located at national centers, the authors need an environment for remote visualization. Remote visualization is a special process that uses computing resources and data that are physically distributed over long distances. In their experimental environment, a parallel raytracer is designed for the rendering task. It allows one to efficiently visualize molecular dynamics simulations represented by three dimensional ball-and-stick models. Different issues encountered in creating their platform are discussed, such as I/O, load balancing, and data distribution.


Molecular Dynamics on Parallel Computers

Molecular Dynamics on Parallel Computers

Author: Peter Grassberger

Publisher: World Scientific Publishing Company

Published: 2000

Total Pages: 312

ISBN-13: 9789810242329

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Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel computers. Designing efficient algorithms for these problems is a highly non-trivial task. This book contains the invited talks and abstracts presented at a conference by more than 100 researchers from various fields: computer science, solid state physics, high energy physics, polymers, biochemistry, granular materials and astrophysics. Most of the contributions have been written by users of massively parallel computers and deal with practical issues, but there are also contributions tackling more fundamental algorithmic problems.


Parallel Computing

Parallel Computing

Author: Christian Bischof

Publisher: IOS Press

Published: 2008

Total Pages: 824

ISBN-13: 158603796X

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ParCo2007 marks a quarter of a century of the international conferences on parallel computing that started in Berlin in 1983. The aim of the conference is to give an overview of the developments, applications and future trends in high-performance computing for various platforms.


Parallel Computational Fluid Dynamics

Parallel Computational Fluid Dynamics

Author: Kenli Li

Publisher: Springer

Published: 2014-03-08

Total Pages: 626

ISBN-13: 3642539629

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This book constitutes the refereed proceedings of the 25th International Conference on Parallel Computational Fluid Dynamics, ParCFD 2013, held in Changsha, China, in May 2013. The 35 revised full papers presented were carefully reviewed and selected from more than 240 submissions. The papers address issues such as parallel algorithms, developments in software tools and environments, unstructured adaptive mesh applications, industrial applications, atmospheric and oceanic global simulation, interdisciplinary applications and evaluation of computer architectures and software environments.


Supercomputing for Molecular Dynamics Simulations

Supercomputing for Molecular Dynamics Simulations

Author: Alexander Heinecke

Publisher: Springer

Published: 2015-03-30

Total Pages: 83

ISBN-13: 3319171488

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This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.


Parallel Computing is Everywhere

Parallel Computing is Everywhere

Author: S. Bassini

Publisher: IOS Press

Published: 2018-03-07

Total Pages: 852

ISBN-13: 1614998434

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The most powerful computers work by harnessing the combined computational power of millions of processors, and exploiting the full potential of such large-scale systems is something which becomes more difficult with each succeeding generation of parallel computers. Alternative architectures and computer paradigms are increasingly being investigated in an attempt to address these difficulties. Added to this, the pervasive presence of heterogeneous and parallel devices in consumer products such as mobile phones, tablets, personal computers and servers also demands efficient programming environments and applications aimed at small-scale parallel systems as opposed to large-scale supercomputers. This book presents a selection of papers presented at the conference: Parallel Computing (ParCo2017), held in Bologna, Italy, on 12 to 15 September 2017. The conference included contributions about alternative approaches to achieving High Performance Computing (HPC) to potentially surpass exa- and zetascale performances, as well as papers on the application of quantum computers and FPGA processors. These developments are aimed at making available systems better capable of solving intensive computational scientific/engineering problems such as climate models, security applications and classic NP-problems, some of which cannot currently be managed by even the most powerful supercomputers available. New areas of application, such as robotics, AI and learning systems, data science, the Internet of Things (IoT), and in-car systems and autonomous vehicles were also covered. As always, ParCo2017 attracted a large number of notable contributions covering present and future developments in parallel computing, and the book will be of interest to all those working in the field.


Applied Parallel Computing

Applied Parallel Computing

Author: Yuefan Deng

Publisher: World Scientific

Published: 2013

Total Pages: 218

ISBN-13: 9814307602

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The book provides a practical guide to computational scientists and engineers to help advance their research by exploiting the superpower of supercomputers with many processors and complex networks. This book focuses on the design and analysis of basic parallel algorithms, the key components for composing larger packages for a wide range of applications.