The U.K. High-Performance Computing Initiative | |
Introduction | p. 3 |
Science Support from the EPCC HPCI Centre | p. 11 |
The CLRC HPCI Centre at Daresbury Laboratory | p. 21 |
Southampton High Performance Computing Centre | p. 33 |
Optimisation, Algorithms and Software | |
Performance Optimisation on the Cray T3E | p. 45 |
From FLOPS to UDAPS: Algorithms, Benchmarking, and Tuning | p. 53 |
Is Predictive Tracing too late for HPC Users? | p. 57 |
Solving Dense Symmetric Eigenproblems on the Cray T3D | p. 69 |
Parasol: An Integrated Programming Environment for Parallel Sparse Matrix Solvers | p. 79 |
Computational Modelling of Multi-Physics Processes on High Performance Parallel Computer Systems | p. 91 |
Porting Industrial Codes to MPP Systems using HPF | p. 103 |
Decomposition Independence in Parallel Programs | p. 113 |
Software Portability and Maintenance | p. 119 |
A Design Environment for Structured Mapping of Signal Processing Applications on Parallel Processors | p. 127 |
Materials Chemistry and Simulation | |
New Vistas for First-Principles Simulation | p. 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 Silicon | p. 155 |
Quantum Monte Carlo Simulations of Real Solids | p. 165 |
Ab Initio Investigations of the Dynamical Properties of Ice | p. 175 |
Phase Separation of Two Immiscible Liquids | p. 185 |
Computer Simulation of Liquid Crystals on the T3D/T3E | p. 193 |
A First Principles Study of Substitutional Gold in Geremanium | p. 203 |
Applications of Self-Interaction Correction to Localized States in Solids | p. 207 |
Computational Chemistry | |
Computational Chemistry in the Environmental Molecular Sciences Laboratory | p. 215 |
Macromolecular Modelling on the Cray T3D | p. 229 |
Accurate Configuration Interaction Computations of Potential Energy Surfaces using Massively Parallel Computers | p. 237 |
Molecular Properties from First Principles | p. 249 |
Massive Parallelism: The Hardware for Computational Chemistry? | p. 259 |
Atomic Physics | |
The Multiphoton and Electron Collisions Consortium and the Helium Code | p. 275 |
Application of 6DIME: ([gamma],2e) on He | p. 285 |
Parallelisation of Atomic R-Matrix Scattering Programs | p. 293 |
Partial Wave Integrals | p. 301 |
Molecular Rotation-Vibration Calculations using Massively Parallel Computers | p. 307 |
Environmental Modelling | |
Modelling Climate Variability on HPC Platforms | p. 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 Model | p. 337 |
High Resolution Modelling of Airflow over the Isle of Arran | p. 347 |
Development of Portable Shelf Sea Models for Massively Parallel Machines | p. 359 |
Satellite Altimeter Data Assimilation in the OCCAM Global Ocean Model | p. 365 |
Parallelisation and Performance of a Stratospheric Chemical Transport Model | p. 371 |
Supercomputing and Applications in German Research and Industry | p. 379 |
Investigation of Sequencing Effects on the Simulation of Fluid-Structure Interaction | p. 385 |
Direct Numerical Simulation of Turbulent Flames | p. 395 |
Understanding Turbulence in Fluids using Direct Simulation Data | p. 407 |
Parallel Processing and Direct Simulation of Transient Premixed Laminar Flames with Detailed Chemical Kinetics | p. 417 |
Time Domain Electromagnetic Scattering Simulations on Unstructured Grids | p. 429 |
Large-Eddy Simulation of the Vortex Shedding Process in the Near-Field Wake behind a Square Cylinder | p. 437 |
Self-Adaptive, Parallel Solution Methods for Complex FEM Problems in CFD and Radiation Modelling | p. 449 |
Human Systems and Information | |
HPC and Human Geographic Social Science Research | p. 457 |
Application of Pattern Recognition to Concept Discovery in Geography | p. 467 |
High Performance Computing in Banking | p. 479 |
Legacy Systems - The Future of HPC | p. 487 |
Astrophysics and Cosmology | |
Simulations of Lattice Quantum Chromodynamics on the Cray T3D and T3E | p. 497 |
Towards and Understanding of Galaxy Formation | p. 507 |
Massively Parallel Simulations of Cosmic Strings | p. 517 |
The U. K. MHD Consortium: Goals and Recent Achievements | p. 529 |
N-Body Simulations of Galaxy Formation on a Cray T3E | p. 537 |
Novel Methods and Applications | |
Early Experience with Tera MTA System | p. 545 |
HPC on DEC Alphas and Windows NT | p. 551 |
A Programming Environment for High-Performance Computing in Java | p. 559 |
High Performance Distributed FDTD Electromagnetic Field Computation for Electronic Circuit Design | p. 569 |
List of Participants | p. 575 |
Index | p. 579 |
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