High Performance Computing in Science and Engineering ' 08 : Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2008

The discussions and plans on all scienti?c, advisory, and political levels to realize an even larger “European Supercomputer” in Germany, where the hardware costs alone will be hundreds of millions Euro – much more than in the past – are getting closer to realization. As part of the strategy, the three national supercomputing centres HLRS (Stuttgart), NIC/JSC (Julic ¨ h) and LRZ (Munich) have formed the Gauss Centre for Supercomputing (GCS) as a new virtual organization enabled by an agreement between the Federal Ministry of Education and Research (BMBF) and the state ministries for research of Baden-Wurttem ¨ berg, Bayern, and Nordrhein-Westfalen. Already today, the GCS provides the most powerful high-performance computing - frastructure in Europe. Through GCS, HLRS participates in the European project PRACE (Partnership for Advances Computing in Europe) and - tends its reach to all European member countries. These activities aligns well with the activities of HLRS in the European HPC infrastructure project DEISA (Distributed European Infrastructure for Supercomputing Appli- tions) and in the European HPC support project HPC-Europa. Beyond that, HLRS and its partners in the GCS have agreed on a common strategy for the installation of the next generation of leading edge HPC hardware over the next ?ve years. The University of Stuttgart and the University of Karlsruhe have furth- more agreed to bundle their competences and resources.

Physics.- Magnetic Fields in Very Light Extragalactic Jets.- The SuperN-Project: Status and Outlook.- Massless Four-Loop Integrals and the Total Cross Section in e + e ? Annihilation.- Solid State Physics.- Computer Simulations of Complex Many-Body Systems.- Quantum Confined Stark Effect in Embedded PbTe Nanocrystals.- Signal Transport in and Conductance of Correlated Nanostructures.- Supersolid Fermions Inside Harmonic Traps.- Chemistry.- Azobenzene–Metal Junction as a Mechanically and Opto–Mechanically Driven Switch.- A Density-functional Study of Nitrogen and Oxygen Mobility in Fluorite-type Tantalum Oxynitrides.- Molecular Modeling and Simulation of Thermophysical Properties: Application to Pure Substances and Mixtures.- Flow with Chemical Reactions.- A Hybrid Finite-Volume/Transported PDF Model for Simulations of Turbulent Flames on Vector Machines.- Numerical Investigations of Model Scramjet Combustors.- Computational Fluid Dynamics.- Direct Numerical Simulation of Film Cooling in Hypersonic Boundary-Layer Flow.- Two-Point Correlations of a Round Jet into a Crossflow – Results from a Direct Numerical Simulation.- The Influence of Periodically Incoming Wakes on the Separating Flow in a Compressor Cascade.- Turbulence and Internal Waves in a Stably-Stratified Channel Flow.- High Resolution Direct Numerical Simulation of Homogeneous Shear Turbulence.- Direct Numerical Simulation (DNS) on the Influence of Grid Refinement for the Process of Splashing.- Implicit LES of Passive-Scalar Mixing in a Confined Rectangular-Jet Reactor.- Wing-Tip Vortex / Jet Interaction in the Extended Near Field.- Impact of Density Differences on Turbulent Round Jets.- Thermal & Flow Field Analysis of Turbulent Swirling Jet Impingement Using Large Eddy Simulation.- Hybrid Techniques for Large–Eddy Simulations of Complex Turbulent Flows.- Vector Computers in a World of Commodity Clusters, Massively Parallel Systems and Many-Core Many-Threaded CPUs: Recent Experience Based on an Advanced Lattice Boltzmann Flow Solver.- Numerical Modeling of Fluid Flow in Porous Media and in Driven Colloidal Suspensions.- Numerical Characterization of the Reacting Flow in a Swirled Gasturbine Model Combustor.- Numerical Simulation of Helicopter Aeromechanics in Slow Descent Flight.- Partitioned Fluid-Structure Coupling and Vortex Simulation on HPC-Systems.- FEASTSolid and FEASTFlow: FEM Applications Exploiting FEAST’s HPC Technologies.- Overview on the HLRS- and SSC-Projects in the Field of Transport and Climate.- Effects of Intentional and Inadvertent Hygroscopic Cloud Seeding.- The Agulhas System as a Key Region of the Global Oceanic Circulation.- HLRS Project Report 2007/2008: “Simulating El Nino in an Eddy-Resolving Coupled Ocean-Ecosystem Model”.- Structural Mechanics.- Numerical Studies on the Influence of Thickness on the Residual Stress Development During Shot Peening.- A Transient Investigation of Multi-Layered Welds at Large Structures.- High Performance Computing and Discrete Dislocation Dynamics: Plasticity of Micrometer Sized Specimens.- Miscellaneous Topics.- Molecular Modeling of Hydrogen Bonding Fluids: New Cyclohexanol Model and Transport Properties of Short Monohydric Alcohols.- Investigation of Process-Specific Size Effects by 3D-FE-Simulations.- Andean Orogeny and Plate Generation.- Hybrid Code Development for the Numerical Simulation of Instationary Magnetoplasmadynamic Thrusters.- Doing IO with MPI and Benchmarking It with SKaMPI-5.