High Performance Computing in Science and Engineering '99: Transactions of the High Performance Computing Center Stuttgart (Hlrs) 1999

ISBN-13: 9783642640841 / Angielski / Miękka / 2012 / 515 str.

E. Krause; W. Jager

Opis

Prof. Dr. Egon Krause Aerodynamisches Institut, RWTH Aachen Wiillnerstr. 5 u. 7, D-52062 Aachen Prof. Dr. Willi Jager Interdisziplinares Zentrum fiir Wissenschaftliches Rechnen Universitat Heidelberg 1m Neuenheimer Feld 368, D-69120 Heidelberg High Performance Computing is progressing as a discipline providing im portant tools for research and development in science and industry. The High Performance Computing Center Stuttgart (HLRS) is not only providing the facilities, hard- and software for a growing community of researchers and developers, but it also promotes the know-how to use supercomputers effi ciently. Regular exchange of information, of ideas and methods is essential in improving the proper use of the facilities, and their performance as well as the application of algorithms and of simulation techniques. A Second Result and Review Workshop on High-Performance Computing in Science and Engineering, (October 4 -6,1999) was organized by the HLRS in order to give an overview of the scientific work carried out during the past year and to demonstrate the state of the art in the various fields. In 1998 the Land Baden-Wiirttemberg decided to extend the responsibilities of the Steering Committee of the HLRS and therewith also the rules of access to its Scientific Supercomputing Center (SSC) Karlsruhe. That center was recently upgraded with the IBM RS 6000 SP, thereby significantly increasing the attractivity of the two centers, since the joint portfolio of computer architectures now covers most of the application-profile of their users.

Spis treści

Physics.- Finite difference modelling of elastic wave propagation in the Earth’s uppermost mantle.- Direct Simulation of Seismic Wave Propagation.- Summary of Project 11172.- Development and Astrophysical Applications of a Parallel Smoothed Particle Hydrodynamics Code with MPI.- Collisional dynamics around black hole binaries in galactic centres.- IMD — A Massively Parallel Molecular Dynamics Package for Classical Simulations in Condensed Matter Physics.- Symmetrie diblock copolymers confined into thin films: A Monte Carlo investigation on the CRAY T3E.- Molecular Dynamics of Covalent Crystals.- Simulation of random copolymers at selective interfaces and of cross-linked polymer blends.- Towards the Limits of present-day Supercomputers: Exact Diagonalization of Strongly Correlated Electron-Phonon Systems.- The Metal-Insulator Transition in the Hubbard Model.- Vibronic studies of adsorbate-covered semiconductor surfaces with the help of HPC.- Computational Methods in Chemistry and Molecular Biology.- The multi-reference configuration interaction method on massively parallel architectures.- Quantum Chemical Studies on Heterocyclic Rearrangements in Benzofuroxans: Reaction Paths, Vibrational Spectra, and Rate Constants.- High Level Quantum-Chemical Computations on the Cyclizations of Enyne Allenes.- MD Simulation of a Phospholipid Bilayer.- Three-Dimensional Organization of Chromosome Territories and the Human Cell Nucleus.- Computational Fluid Dynamics (CFD).- Parallel Computation of Interface Dynamics in Incompressible Two-Phase Flows.- Numerical Simulation of Fluid Flow and Heat Transfer in an Industrial Czochralski Melt Using a Parallel-Vector Supercomputer.- Numerical flow simulation in cylindrical geometries.- DNS of Laminar-Turbulent Transition in Separation Bubbles.- Numerical Simulation of Supersonic Hydrogen-Air Combustion.- Computation of Turbulent Flows with Separation by Coherent Structure Capturing.- Large Eddy Simulation of the Flow around a Circular Cylinder.- Direct Numerical Simulations of an Adverse Pressure Gradient Turbulent Boundary Layer on High Performance Computers.- Aeroelastic Analysis of a Helicopter Rotor in Forward Flight.- Flow with chemical reaction.- Investigation of Chemistry-Turbulence Interactions Using DNS on the Cray T3E.- Multigrid Convergence Acceleration for Non-Reactive and Reactive Flows.- Quasi-Particles in a Three-Dimensional Three-Component Reaction-Diffusion System.- Upwind Relaxation Algorithm for Re-entry Nonequilibrium Flows.- 3D Simulation of instationary turbulent flow and combustion in internal combustion engines.- Numerical prediction of load changes in a coal-fired utility boiler.- Structural Mechanics and Electrical Engineering.- Design and Application of Object Oriented Parallel Data Structures in Particle and Continuous Systems.- Computation of Electromagnetic Fields by the Method of Moments on the CRAY T3E: Iterative Solution Techniques and Large Scale Applications.- Numerical Treatment of Time Varying Magnetic Fields in Power Transformers by Using the Boundary Element Method (BEM).- Direct and Inverse Electromagnetic Scattering.- Computer Science.- Fine-Grained Multithreading on the Cray T3E.- ParGrad System: Dynamical Adaptation of the Parallelism Degree of Programs on Cray T3E.- Comparative Measurements of the Solution of PDE’s on the PARAGON and the SB-PRAM.- KaHPF: Compiler generated Data Prefetching for HPF.- A Parallel Object Oriented Framework for Particle Methods.- Parallel solution of Partial Differential Equations with Adaptive Multigrid Methods on Unstructured Grids.- Coupling and Parallelization of Grid-based Numerical Simulation Software.

Blurb

The book contains reports about the most significant projects from science and engineering of the Federal High Performance Computing Center Stuttgart (HLRS). They were carefully selected in a peer-review process and are showcases of an innovative combination of state-of-the-art modeling, novel algorithms and the use of leading-edge parallel computer technology. The projects of HLRS are using supercomputer systems operated jointly by university and industry and therefore a special emphasis has been put on the industrial relevance of results and methods.