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.


Virtual Reality Visualization of Parallel Molecular Dynamics Simulation

Virtual Reality Visualization of Parallel Molecular Dynamics Simulation

Author:

Publisher:

Published: 1995

Total Pages: 6

ISBN-13:

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When performing communications mapping experiments for massively parallel processors, it is important to be able to visualize the mappings and resulting communications. In a molecular dynamics model, visualization of the atom to atom interaction and the processor mappings provides insight into the effectiveness of the communications algorithms. The basic quantities available for visualization in a model of this type are the number of molecules per unit volume, the mass, and velocity of each molecule. The computational information available for visualization is the atom to atom interaction within each time step, the atom to processor mapping, and the energy resealing events. We use the CAVE (CAVE Automatic Virtual Environment) to provide interactive, immersive visualization experiences.


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.


Computer Simulation in Chemical Physics

Computer Simulation in Chemical Physics

Author: M. P. Allen

Publisher: Springer Science & Business Media

Published: 1993

Total Pages: 538

ISBN-13: 9780792322832

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Proceedings of a NATO ASI held near Alghero, Italy in September 1992. The school focused on recent progress in applying the methods of computer simulation to problems in chemical physics. The 14 lectures address topics including the molecular dynamics method, advanced Monte Carlo techniques, thermodynamic constraints, computer simulations in the Gibbs ensemble, effective pair potentials and beyond, first principles molecular dynamics, computer simulation methods for nonadiabatic dynamics in condensed systems, long length- scale aspects of self organization phenomena, computer simulation of polymers, computer simulation of surfactants, parallel computing and molecular dynamics simulations, and scientific visualization--a user view. Annotation copyright by Book News, Inc., Portland, OR


Parallel Science and Engineering Applications

Parallel Science and Engineering Applications

Author: Laxmikant V. Kale

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 302

ISBN-13: 1466504137

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Developed in the context of science and engineering applications, with each abstraction motivated by and further honed by specific application needs, Charm++ is a production-quality system that runs on almost all parallel computers available. Parallel Science and Engineering Applications: The Charm++ Approach surveys a diverse and scalable collecti


Workshop on Molecular Dynamics on Parallel Computers

Workshop on Molecular Dynamics on Parallel Computers

Author: RĀdiger Esser

Publisher: World Scientific

Published: 2000

Total Pages: 400

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.