Wolfgang E. Nagel & Willi Jäger 
High Performance Computing in Science and Engineering ’ 06 
Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2006

The last two years have been great for high performance computing in Baden- W¨ urttemberg and beyond. In July 2005, the new building for HLRS as well as Stuttgart’s new NEC supercomputer – which is still leading edge in G- many – have been inaugurated. In these days, the SSC Karlsruhe is ?nalizing the installation of a very large high performance system complex from HP, built from hundreds of Intel Itanium processors and more than three th- sand AMD Opteron cores. Additionally, the fast network connection – with a bandwidth of 40Gbit/s and thus one of the ?rst installations of this kind in Germany – brings the machine rooms of HLRS and SSC Karlsruhe very close together. With the investment of more than 60 Million Euro, we – as the users of such a valuable infrastructure – are not only thankful to science managers and politicians, but also to the people running these components as part of their daily business, on a 24-7 level. Sinceabout18months, therearelotsofactivitiesonallscienti?c, advisory, and political levels to decide if Germany will install an even larger European supercomputer, where the hardware costs alone will be around 200 Million Euro for a ?ve year period. There are many good reasons to invest in such a program because – beyond the infrastructure – such a scienti?c research tool will attract the best brains to tackle the problems related to the software and methodology challenges.

Spis treści

Physics.- Gravitational Wave Signals from Simulations of Black Hole Dynamics.- The Super N-Project: Understanding Core Collapse Supernovae.- MHD Code Optimizations and Jets in Dense Gaseous Halos.- Anomalous Water Optical Absorption: Large-Scale First-Principles Simulations.- The Electronic Structures of Nanosystems: Calculating the Ground States of Sodium Nanoclusters and the Actuation of Carbon Nanotubes.- Object-Oriented SPH-Simulations with Surface Tension.- Simulations of Particle Suspensions at the Institute for Computational Physics.- Solid State Physics.- Nano-Systems in External Fields and Reduced Geometry: Numerical Investigations.- Signal Transport and Finite Bias Conductance in and Through Correlated Nanostructures.- Atomistic Simulations of Dislocation — Crack Interaction.- Monte Carlo Simulations of Strongly Correlated and Frustrated Quantum Systems.- Chemistry.- Characterization of Catalyst Surfaces by STM Image Calculations.- Theoretical Investigation of the Self-Diffusion on Au(100).- Trp AQP: Computer Simulations to Determine the Selectivity of Aquaporins.- Computational Fluid Dynamics.- Direct Numerical Simulation and Analysis of the Flow Field Around a Swept Laminar Separation Bubble.- Direct Numerical Simulation of Primary Breakup Phenomena in Liquid Sheets.- Direct Numerical Simulation of Mixing and Chemical Reactions in a Round Jet into a Crossflow — a Benchmark.- Numerical Simulation of the Bursting of a Laminar Separation Bubble.- Parallel Large Eddy Simulation with UG.- LES and DNS of Melt Flow and Heat Transfer in Czochralski Crystal Growth.- Efficient Implementation of Nonlinear Deconvolution Methods for Implicit Large-Eddy Simulation.- Large-Eddy Simulation of Tundish Flow.- Large Eddy Simulation of Open-Channel Flow Over Spheres.-Prediction of the Resonance Characteristics of Combustion Chambers on the Basis of Large-Eddy Simulation.- Investigations of Flow and Species Transport in Packed Beds by Lattice Boltzmann Simulations.- Rheological Properties of Binary and Ternary Amphiphilic Fluid Mixtures.- The Effects of Vortex Generator Arrays on Heat Transfer and Flow Field.- Investigation of the Influence of the Inlet Geometry on the Flow in a Swirl Burner.- Numerical Investigation and Simulation of Transition Effects in Hypersonic Intake Flows.- Aeroelastic Simulations of Isolated Rotors Using Weak Fluid-Structure Coupling.- Computational Study of the Aeroelastic Equilibrium Configuration of a Swept Wind Tunnel Wing Model in Subsonic Flow.- Structural Mechanics.- Numerical Prediction of the Residual Stress State after Shot Peening.- Computer-Aided Destruction of Complex Structures by Blasting.- Wave Propagation in Automotive Structures Induced by Impact Events.- Miscellaneous Topics.- Continental Growth and Thermal Convection in the Earth’s Mantle.- Efficient Satellite Based Geopotential Recovery.- Molecular Modeling of Hydrogen Bonding Fluids: Monomethylamine, Dimethylamine, and Water Revised.- The Application of a Black-Box Solver with Error Estimate to Different Systems of PDEs.- Scalable Parallel Suffix Array Construction.