High Performance Computing in Science and Engineering, Munich 2004

1. Front Matter

   Pages I-XIII

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2. Performance and Tools

   1. Performance of Scientific Applications on Modern Supercomputers

      • Frank Deserno, Georg Hager, Frank Brechtefeld, Gerhard Wellein

      Pages 3-25

   2. A Lightweight Dynamic Application Monitor for SMP Clusters

      • Karl Fürlinger, Michael Gerndt

      Pages 27-36

   3. gridlib — A Parallel, Object-oriented Framework for Hierarchical-hybrid Grid Structures in Technical Simulation and Scientific Visualization

      • Frank Hülsemann, Stefan Meinlschmidt, Ben Bergen, Günther Greiner, Ulrich Rüde

      Pages 37-49

3. Computational Fluid Dynamics

   1. Preface

      • Rolf Rannacher

      Pages 51-52

   2. Fully Three-Dimensional Coupling of Fluid and Thin-Walled Structures

      • Dominik Scholz, Ernst Rank, Markus Glück, Michael Breuer, Franz Durst

      Pages 53-61

   3. Efficiency of Lattice Boltzmann Codes as Moderate Reynolds Number Turbulence Solvers

      • Kamen N. Beronov, Franz Durst

      Pages 63-76

   4. Testing of Closure Assumption for Fully Developed Turbulent Channel Flow with the Aid of a Lattice Boltzmann Simulation

      • Peter Lammers, Kamen N. Beronov, Thomas Zeiser, Franz Durst

      Pages 77-91

   5. High-Performance Computing in Turbulence Research: Separated Flow Past an Airfoil at High Angle of Attack

      • Nikola Jovičić, Michael Breuer

      Pages 93-105

   6. DNS of Passive Scalar Transport in Turbulent Supersonic Channel Flow

      • Holger Foysi, Rainer Friedrich

      Pages 107-117

   7. A Coupled DNS/Monte-Carlo Solver for Dilute Suspensions of Brownian Fibres in Turbulent Channel Flow

      • Michael Manhart

      Pages 119-131

   8. Large-Eddy-Simulation of an Airfoil at Re = 20000 Using Cartesian Grids

      • Gary Evans, Sven Eisenbach, Rainer Friedrich

      Pages 133-143

   9. Interactive CFD Simulation by Coupling Supercomputers with Virtual Reality

      • Petra Hardt, Siegfried Kühner, Ernst Rank, Oliver Wenisch

      Pages 145-155

   10. Boundary Layer Separation Influenced by Free-Stream Disturbances

       • Jan Wissink, Wolfgang Rodi

       Pages 157-167

   11. parpp3d++ - A Parallel HPC Code for the Incompressible Nonstationary Navier-Stokes Equations

       • Sven H.M. Buijssen, Stefan Turek

       Pages 169-177

   12. Flow Induced Noise Computation on Hitachi SR8000-F1

       • Max Escobar, Irfan Ali, Frank Hülsemann, Manfred Kaltenbacher, Stefan Becker

       Pages 179-186

4. Chemistry and Biosciences

   1. Preface

      • Walter Thiel

      Pages 187-188

   2. Theoretical Studies of Vanadium Complexes: Reactivities and 51V NMR Chemical Shifts in Solution

      • Michael Bühl, Rachel Schurhammer, Petra Imhof

      Pages 189-198

   3. Ab-Initio Molecular Dynamics Simulations of Hydrous Silicate Systems

      • Markus Pöhlmann, Andreas Meyer, Magali Benoit, Walter Kob

      Pages 199-209

   4. Theoretical Studies of Ultrafast Electron Transfer Reactions in Condensed Phases

      • Ivan Kondov, Haobin Wang, Michael Thoss

      Pages 211-223

Leading-edge research groups in the field of scientific computing present their outstanding projects using the High Performance Computer in Bavaria (HLRB), Hitachi SR8000-F1, one of the top-level supercomputers for academic research in Germany. The projects address modelling and simulation in the disciplines Biosciences, Chemistry, Chemical Physics, Solid-State Physics, High-Energy Physics, Astrophysics, Geophysics, Computational Fluid Dynamics, and Computer Science. The authors describe their scientific background, their resource requirements with respect to top-level supercomputers, and their methods for efficient utilization of the costly high-performance computing power. Contributions of interdisciplinary research projects that have been supported by the Competence Network for Scientific High Performance Computing in Bavaria (KONWIHR) complete the broad range of supercomputer research and applications covered by this volume.

• computer
• computer science
• computer-aided design (CAD)
• modeling
• scientific computing
• simulation
• supercomputer
• complexity

• Institut für Aerodynamik und Gasdynamik, Universität Stuttgart, Stuttgart, Germany

  Siegfried Wagner

• Institut für Theoretische Physik und Astrophysik, Universität Würzburg, Würzburg, Germany

  Werner Hanke

• Lehrstuhl für Rechnertechnik und Rechnerorganisation, Institut für Informatik, Technische Universität München, Garching, Germany

  Arndt Bode

• Lehrstuhl für Strömungsmechanik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany

  Franz Durst

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