High Performance Computing in Science and Engineering, Munich 2002 de Siegfried Wagner

High Performance Computing in Science and Engineering, Munich 2002: Transactions of the First Joint HLRB and KONWIHR Status and Result Workshop, October 10–11, 2002, Technical University of Munich, Germany

Siegfried Wagner

Werner Hanke

Arndt Bode

Franz Durst

en Limba Engleză Paperback – 15 noi 2012

High-Performance Computers (HPC) have initiated a revolutionary develop ment in research and technology since many complex and challenging prob lems in this area can only be solved by HPC and a network in modeling, algo rithms and software. In 1998 the Deutsche Forschungsgemeinschaft (German Research Association) recommended to install an additional Federal High Performance Computer followed by the one in Stuttgart. In January 1999 the Wissenschaftsrat (German Science Council) decided that the Leibniz Rechenzentrum (Computing Center) of the Bavarian Academy of Sciences in Munich should run the second Federal High-Performance Computer in Ger many. The investment cost of this Hochstleistungsrechner in Bayern (HLRB) was borne by the Federal Government of Germany and the Free State of Bavaria whereas the operating cost was at the expense of the Bavarian Gov ernment only. The operation of the HLRB is organized in combination with the - Leibniz-Rechenzentrum (LRZ) of the Bavarian Academy of Sciences as the operating authority of the HLRB - Steering Committee of the HLRB - Competence Network for Technical/Scientific High-Performance Comp- ing in Bavaria (KONWIHR). In 2000 a Hitachi SR8000-Fl was installed. It was the first Teraflops Com puter in Germany and reached a peak performance of two Teraflops after an extension at the end of 2001. The goal of HLRB is to provide computer facil ities necessary to solve challenging scientific and technological problems that cannot be solved on big servers but require large (storage) high-performance (very fast) computers and efficient software.

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I High Performance Systems.- TeraFlops Computing with the Hitachi SR8000-F1: From Vision to Reality.- II Computational Fluid Dynamics.- Numerical Prediction of Deformations and Oscillations of Wind-Exposed Structures.- Large-Eddy and Detached-Eddy Simulation of the Flow Around High-Lift Configurations.- Direct Simulation with the Lattice Boltzmann Code BEST of Developed Turbulence in Channel Flows.- DNS of Homogeneous Shear Flow and Data Analysis for the Development of a Four-Equation Turbulence Model.- Large-Eddy Simulations of High Reynolds Number Flow Around a Circular Cylinder.- Numerical Simulation of Passively Controlled Turbulent Flows over Sharp—Edged and Smoothly Contoured Backward—Facing Steps.- Parallel Single- and Multiphase CFD-Applications Using Lattice Boltzmann Methods.- Models of Type Ia Supernova Explosions.- Direct Numerical Simulation of Boundary Layer Separation along a Curved Wall with Oscillating Oncoming Flow.- III Biosciences.- QM/MM Study of Rhodopsin.- Simulation of Neuronal Map Formation in the Primary Visual Cortex.- IV Chemistry.- A User-Oriented Set of Quantum Chemical Benchmarks.- Structure, Energetics, and Spectroscopy of Models for Enzyme Cofactors.- Ruthenium Dioxide, a Versatile Oxidation Catalyst: First Principles Analysis.- Theoretical Studies of Structures of Vanadate Complexes in Aqueous Solution.- V Solid-State Physics.- Large Scale Car-Parrinello Simulation of Fully Hydrated DNA.- Metal-Insulator Transitions and Realistic Modelling of Correlated Electron Systems.- Monte Carlo Studies of Three-Dimensional Bond-Diluted Ferromagnets.- Microwave Ionisation of Non-Hydrogenic Alkali Rydberg States.- Density-Functional Calculation and Inelastic Neutron Scattering of Structural and Dynamical Properties in Fluoride Crystals.- Optical Response of Semiconductor Surfaces and Molecules Calculated from First Principles.- Phase Fluctuations and the Role of Electron Phonon Coupling in High-TcSuperconductors.- The Cluster-Perturbation-Theory and its Application to Strongly-Correlated Materials.- Object-Oriented C++ Class Library for Many Body Physics on Finite Lattices and a First Application to High-Temperature Superconductivity.- From Fermi Liquid to Non-Fermi Liquid Physics — Influence of Non-Local Fluctuations in Low-Dimensional Fermion Systems.- One-Dimensional Electron-Phonon Systems: Mott- Versus Peierls-Insulators.- VI Geophysics.- 3-D Seismic Wave Propagation on a Global and Regional Scale: Earthquakes, Fault Zones, Volcanoes.- VII Fundamental Physics.- Simulation of QCD with Dynamical Quarks.- Quantum Chromodynamics with Chiral Quarks.- Three-Nucleon Force in the4He Scattering System.- Simulations of the Local Universe.- The Free Electron Maser in Pulsar Magnetospheres.- VIII Computer Science.- Pseudo-Vectorization and RISC Optimization Techniques for the Hitachi SR8000 Architecture.- Automatic Performance Analysis on Hitachi SR8000.- Adapting PAxML to the Hitachi SR8000-F1 Supercomputer.- Load Balancing for Spatial-Grid-Based Parallel Numeric Simulations on Clusters of SMPs — A Case Study from an Industrial CFD Simulation.- Scientific Progress in the Par-EXPDE-Project.- gridlib — A Parallel, Object-Oriented Framework for Hierarchical-Hybrid Grid Structures in Technical Simulation and Scientific Visualization.