High Performance Computing in Science and Engineering, Garching/Munich 2009: Transactions of the Fourth Joint HLRB and KONWIHR Review and Results Work

ISBN-13: 9783642138713 / Angielski / Twarda / 2010 / 780 str.

Siegfried Wagner; Matthias Steinmetz; Arndt Bode

Opis

This book presents selected project results obtained at the current High-Performance Computer in Bavaria (HLRB II). The research areas covered include Computer Sciences, Computational Fluid Dynamics, Astrophysics, High-Energy Physics, Geo Sciences, Condensed Matter Physics, Chemistry, and Bio Sciences. Thus, the book provides an overview of the broad range of applications requiring high-performance computers to solve challenging numerical problems. Each project description includes information on the respective scientific background, results achieved and methods used. The book also offers insights into the performance, scalability, and latest enhancements of the applications employed.

Spis treści

Computer Science.- Complexities of Performance Prediction for Bandwidth-Limited Loop Kernels on Multi-Core Architectures.- Performance Limitations for Sparse Matrix-Vector Multiplications on Current Multi-Core Environments.- waLBerla: Optimization for Itanium-based Systems with Thousands of Processors.- Fast 3D Block Parallelisation for the Matrix Multiplication Prefix Problem.- OMI4papps: Optimisation, Modelling and Implementation for Highly Parallel Applications.- Computational Steering of Complex Flow Simulations.- Computational Fluid Dynamics.- Numerical Experiments for Quantification of Small-Scale Effects in Particle-Laden Turbulent Flow.- On the Turbulence Structure in a Supersonic Diffuser with Circular Cross-Section.- Numerical Simulation of Supersonic Jet Noise with Overset Grid Techniques for Highly Parallelized Computing.- Vorticity Statistics in Fully Developed Turbulence.- Assessment of CFD Predictive Capability for Aeronautical Applications.- Computational Aspects of Implicit LES of Complex Flows.- Numerical Investigation of the Micromechanical Behavior of DNA Immersed in a Hydrodynamic Flow.- Comparing Frequency-Based Flow Solutions to Traditional Unsteady Fluid Dynamics Analysis in Turbomachinery.- Capability of FDEM for Journal Bearings with Microstructured Surface.- Numerical Investigation of a Transonic Axial Compressor Stage with Inlet Distortions.- A Parallel CFD Solver Using the Discontinuous Galerkin Approach.- Characterization of the Aeroacoustic Properties of the SOFIA Cavity and its Passive Control.- Towards the Numerical Simulation of a Scram Jet Intake at High Mach Number.- Direct Numerical Simulations of Turbulent Mixed Convection in Enclosures with Heated Obstacles.- Determination of Acoustic Scattering Coefficients via Large Eddy Simulation and System Identification.- Identification of Flame Transfer Functions Using LES of Turbulent Reacting Flows.- Computational Modelling of the Respiratory System for Improvement of Mechanical Ventilation Strategies.- Geo Sciences.- SeisSol – A Software for Seismic Wave Propagation Simulations.- Advances in Modelling and Inversion of Seismic Wave Propagation.- Astrophysics.- Constrained Local UniversE Simulations (CLUES).- The Core Helium Flash: 3D Hydrodynamic Models.- 3D Simulations of Large-Scale Mixing in Core Collapse Supernova Explosions.- Relativistic Simulations of Neutron Star and Strange Star Mergers.- The Physics of Galactic Nuclei.- Numerical Models of Turbulence in Isothermal and Thermally Bistable Interstellar Gas.- Turbulence Modeling and the Physics of the Intra-Cluster Medium.- Project h1021: Dynamics of Binary Black Hole Systems.- Sheared Magnetic Field and Kelvin-Helmholtz Instability.- Solar Surface Flow Simulations at Ultra-High Resolution.- High-Energy Physics.- Lattice Investigation of Nucleon Structure: Towards the Physical Point.- Dynamical Lattice QCD with Ginsparg-Wilson-Type Fermions.- Continuum-Limit Scaling of Chirally Symmetric Fermions as Valence Quarks.- Quantum Boltzmann Equations in the Early Universe.- Topological Structure of the QCD Vacuum Revealed by Overlap Fermions.- Condendsed Matter Physics.- Gyrokinetic Turbulence Investigations Involving Ion and Electron Scales.- Quantum Monte Carlo Studies of Strongly Correlated Electron Systems.- Deacon Process over RuO2 and TiO2-Supported RuO2.- Charge-Carrier Transport Through Guanine Crystals and Stacks.- Nanomagnetism in Transition Metal Doped Si Nanocrystals.- High Performance Computing for the Simulation of Thin-Film Solar Cells.- Origin of Interface Magnetism in Fe2O3/FeTiO3 Heterostructures.- Evaluation of Magnetic Spectra Using the Irreducible Tensor Operator Approach.- Simulating Strongly Coupled Plasmas on High-Performance Computers.- Material-Specific Investigations of Correlated Electron Systems.- Theoretical Study of Electron Transfer and Electron Transport Processes in Molecular Systems at Metal Substrates.- Fluctuations in the Photoionization Cross Sections of Highly Doubly Excited Two-Electron Atoms.- Chemistry.- Photophysics of the Trp-Gly Dipeptide: Role of Electron and Proton Transfer Processes for Efficient Excited-State Deactivation.- Grid Workflows for Molecular Simulations in Chemical Industry.- Global Chemistry-Climate Modelling with EMAC.- Ab Initio Path Integral Simulations of Floppy Molecular Systems.- Statistically Converged Properties of Water from Ab Initio Molecular Dynamics Simulations.- Ab Initio Molecular Dynamics Simulations of Aqueous Glycine Solutions: Solvation Structure and Vibrational Spectra.- Cyclodimerization of DNA and RNA Bases: Ab Initio Study of the Cyclodimerization of the Uracil Dimer Through a Butane-Like Conical Intersection.- Numerical Simulation of Electric Field Gradient Focusing and Separation of Analytes in Microchannels with Embedded Bipolar Electrode.- Bio Sciences.- Annotation of Entirely Sequenced Genomes.- Molecular Dynamics Simulation of the Nascent Peptide Chain in the Ribosomal Exit Tunnel.- Preparing RAxML for the SPEC MPI Benchmark Suite.- Parallel Computing with the R Language in a Supercomputing Environment.

O autorze

Dr. Markus M. Müller ist Honorarprofessor für Politikwissenschaft an der Zeppelin University, Friedrichshafen. Prof. Dr. Arndt Bode wurde 1987 auf den Lehrstuhl für Rechnertechnik und Rechnerorganisation in der Fakultät für Informatik der TUM berufen. Seine wichtigsten Arbeitsgebiete sind technische Informatik, Rechnerarchitektur, Supercomputer, parallele und verteilte Systeme, Entwicklungswerkzeuge sowie verteilte Anwendungen. Daneben gilt sein besonderes Engagement der fachübergreifenden Kooperation in Forschung und Lehre für Informatikprodukte, der Standardisierung von Grundsoftware für parallele und verteilte Systeme sowie dem Technologietransfer.
Von Bodes hoher wissenschaftlicher Qualifikation zeugen über 200 Fachpublikationen, darunter Bücher über Rechnerarchitektur, Mikroprogrammierung, Mikroprozessoren und Anwendungen. Diese wurde unter anderem honoriert mit dem "Fellowship des Department of Employment, Education and Training", Canberra, Australien, dem "Best University Research Demonstration Award CONPAR 1990", Zürich und dem "Award for Online Visualization, CONPAR 90", ETH Zürich. Bode ist auch Herausgeber verschiedener nationaler und internationaler Buchreihen und wissenschaftlicher Zeitschriften, seit 1999 Hauptherausgeber des Informatik-Spektrum, Springer Verlag.
Bode ist national und international ein sehr gefragter Gutachter und Mitglied in zahlreichen Fachgesellschaften. Seit 1994 gehört er der Kommission für Informatik der Bayerischen Akademie der Wissenschaften an, seit 1999 der Kommission für Rechenanlagen der Deutschen Forschungsgemeinschaft. Ebenso übt er zahlreiche Tätigkeiten als Berater für nationale und internationale Unternehmen aus.
Im Februar 2005 ist Prof. Bode für weitere drei Jahre in seinem Amt als Vizepräsident und CIO der TU München bestätigt worden.