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High-Performance Computing - R.J. Allan

High-Performance Computing

By: R.J. Allan (Editor), M. F. Guest (Editor), A. D. Simpson (Editor), D. S. Henty (Editor), D. Nicole (Editor)


Published: 31st March 1999
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Over the past decade high performance computing has demonstrated the ability to model and predict accurately a wide range of physical properties and phenomena. Many of these have had an important impact in contributing to wealth creation and improving the quality of life through the development of new products and processes with greater efficacy, efficiency or reduced harmful side effects, and in contributing to our ability to understand and describe the world around us. Following a survey ofthe U.K.'s urgent need for a supercomputingfacility for aca­ demic research (see next chapter), a 256-processor T3D system from Cray Research Inc. went into operation at the University of Edinburgh in the summer of 1994. The High Performance Computing Initiative, HPCI, was established in November 1994 to support and ensure the efficient and effective exploitation of the T3D (and future gen­ erations of HPC systems) by a number of consortia working in the "frontier" areas of computational research. The Cray T3D, now comprising 512 processors and total of 32 CB memory, represented a very significant increase in computing power, allowing simulations to move forward on a number offronts. The three-fold aims of the HPCI may be summarised as follows; (1) to seek and maintain a world class position incomputational scienceand engineering, (2) to support and promote exploitation of HPC in industry, commerce and business, and (3) to support education and training in HPC and its application.

The U.K. High-Performance Computing Initiative
Introductionp. 3
Science Support from the EPCC HPCI Centrep. 11
The CLRC HPCI Centre at Daresbury Laboratoryp. 21
Southampton High Performance Computing Centrep. 33
Optimisation, Algorithms and Software
Performance Optimisation on the Cray T3Ep. 45
From FLOPS to UDAPS: Algorithms, Benchmarking, and Tuningp. 53
Is Predictive Tracing too late for HPC Users?p. 57
Solving Dense Symmetric Eigenproblems on the Cray T3Dp. 69
Parasol: An Integrated Programming Environment for Parallel Sparse Matrix Solversp. 79
Computational Modelling of Multi-Physics Processes on High Performance Parallel Computer Systemsp. 91
Porting Industrial Codes to MPP Systems using HPFp. 103
Decomposition Independence in Parallel Programsp. 113
Software Portability and Maintenancep. 119
A Design Environment for Structured Mapping of Signal Processing Applications on Parallel Processorsp. 127
Materials Chemistry and Simulation
New Vistas for First-Principles Simulationp. 137
On the Quasi-Particle Spectra of YBa[subscript 2]Cu[subscript 3]O[subscript 7]p. 147
Ab Initio Studies of Hydrogen Molecules in Siliconp. 155
Quantum Monte Carlo Simulations of Real Solidsp. 165
Ab Initio Investigations of the Dynamical Properties of Icep. 175
Phase Separation of Two Immiscible Liquidsp. 185
Computer Simulation of Liquid Crystals on the T3D/T3Ep. 193
A First Principles Study of Substitutional Gold in Geremaniump. 203
Applications of Self-Interaction Correction to Localized States in Solidsp. 207
Computational Chemistry
Computational Chemistry in the Environmental Molecular Sciences Laboratoryp. 215
Macromolecular Modelling on the Cray T3Dp. 229
Accurate Configuration Interaction Computations of Potential Energy Surfaces using Massively Parallel Computersp. 237
Molecular Properties from First Principlesp. 249
Massive Parallelism: The Hardware for Computational Chemistry?p. 259
Atomic Physics
The Multiphoton and Electron Collisions Consortium and the Helium Codep. 275
Application of 6DIME: ([gamma],2e) on Hep. 285
Parallelisation of Atomic R-Matrix Scattering Programsp. 293
Partial Wave Integralsp. 301
Molecular Rotation-Vibration Calculations using Massively Parallel Computersp. 307
Environmental Modelling
Modelling Climate Variability on HPC Platformsp. 317
The U. K. Ocean Circulation and Advanced Modelling Project (OCCAM)p. 325
The Southampton-East Anglia (SEA) Model: A General Purpose Parallel Ocean Circulation Modelp. 337
High Resolution Modelling of Airflow over the Isle of Arranp. 347
Development of Portable Shelf Sea Models for Massively Parallel Machinesp. 359
Satellite Altimeter Data Assimilation in the OCCAM Global Ocean Modelp. 365
Parallelisation and Performance of a Stratospheric Chemical Transport Modelp. 371
Supercomputing and Applications in German Research and Industryp. 379
Investigation of Sequencing Effects on the Simulation of Fluid-Structure Interactionp. 385
Direct Numerical Simulation of Turbulent Flamesp. 395
Understanding Turbulence in Fluids using Direct Simulation Datap. 407
Parallel Processing and Direct Simulation of Transient Premixed Laminar Flames with Detailed Chemical Kineticsp. 417
Time Domain Electromagnetic Scattering Simulations on Unstructured Gridsp. 429
Large-Eddy Simulation of the Vortex Shedding Process in the Near-Field Wake behind a Square Cylinderp. 437
Self-Adaptive, Parallel Solution Methods for Complex FEM Problems in CFD and Radiation Modellingp. 449
Human Systems and Information
HPC and Human Geographic Social Science Researchp. 457
Application of Pattern Recognition to Concept Discovery in Geographyp. 467
High Performance Computing in Bankingp. 479
Legacy Systems - The Future of HPCp. 487
Astrophysics and Cosmology
Simulations of Lattice Quantum Chromodynamics on the Cray T3D and T3Ep. 497
Towards and Understanding of Galaxy Formationp. 507
Massively Parallel Simulations of Cosmic Stringsp. 517
The U. K. MHD Consortium: Goals and Recent Achievementsp. 529
N-Body Simulations of Galaxy Formation on a Cray T3Ep. 537
Novel Methods and Applications
Early Experience with Tera MTA Systemp. 545
HPC on DEC Alphas and Windows NTp. 551
A Programming Environment for High-Performance Computing in Javap. 559
High Performance Distributed FDTD Electromagnetic Field Computation for Electronic Circuit Designp. 569
List of Participantsp. 575
Indexp. 579
Table of Contents provided by Syndetics. All Rights Reserved.

ISBN: 9780306460340
ISBN-10: 0306460343
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 584
Published: 31st March 1999
Publisher: Springer Science+Business Media
Country of Publication: US
Dimensions (cm): 26.67 x 17.15  x 3.18
Weight (kg): 1.34