This volume of High Performance Computing in Science and Engineering is fully dedicated to the final report of KONWIHR, the Bavarian Competence Network for Technical and Scientific High Performance Computing. It includes the transactions of the final KONWIHR workshop, that was held at Technische Universität München, October 14-15, 2004, as well as additional reports of KONWIHR research groups. KONWIHR was established by the Bavarian State Government in order to support the broad application of high performance computing in science and technology throughout the country. KONWIHR is a supporting action to the installation of the German supercomputer Hitachi SR 8000 in the Leibniz Computing Center of the Bavarian Academy of Sciences. The report covers projects from basic research in computer science to develop tools for high performance computing as well as applications from biology, chemistry, electrical engineering, geology, mathematics, physics, computational fluid dynamics, materials science and computer science.
Fluid Dynamics.- BESTWIHR: Testing of a Closure Assumption for Fully Developed Turbulent Channel Flow with the Aid of a Lattice Boltzmann Simulation.- DiSiVGT: Validation of a novel turbulence model using direct numerical simulation.- FlowNoise: Flow Induced Noise Computation on Hitachi SR8000-F1.- FLUSIB: Fully Three-Dimensional Coupling of Fluid and Thin-Walled Structures.- ParChem: Efficient Numerical Methods for Chemical Problems related to MOVPE.- RexSim: Monte Carlo Simulations of Radiative Heat Transfer in Parallel Computer Architectures.- SkvG: Cache-Optimal Parallel Solution of PDEs on High Performance Computers Using Space-Trees and Space-Filling Curves.- VISimLab: Optimizing an Interactive CFD Simulation on a Supercomputer for Computational Steering in a Virtual Reality Environment.- Computer Science and Mathematics.- cxHPC: Setting up ByGRID ― First Steps Towards an e-Science Infrastructure in Bavaria.- FPGA: Exploration of the possibilities for the direct synthesis of concurrent C programs on high-performance computers in FPGAs.- gridlib: A Parallel, Object-oriented Framework for Hierarchical-hybrid Grid Structures in Technical Simulation and Scientific Visualization.- LRZ: The Suitability of Contemporary Processors for Quantum Chemical Computations.- MethWerk: Scalable Mesh-based Simulation on Clusters of SMPs.- OPTILAS: Numerical Optimization as a Key Tool for the Improvement of Advanced Multi-Beam Laser Welding Techniques.- ParEXPDE: Expression Templates and Advanced PDE Software Design on the Hitachi SR8000.- ParRichy: Parallel Simulation of Bioreactive Multicomponent Transport Processes in Porous Media.- Peridot: Towards Automated Runtime Detection of Performance Bottlenecks.- Natural Sciences.- CUHE: Electron-Spin Interaction in High-Tc Superconductors.- ENZYMECH: Computer Simulations of Enzyme Reaction Mechanisms: Application of a Hybrid Genetic Algorithm for the Superimposition of Three-Dimensional Chemical Structures.- FreeWIHR: Lattice Boltzmann Methods with Free Surfaces and their Application in Material Technology.- HQS@HPC: Comparative numerical study of Anderson localisation in disordered electron systems.- NBW: Computational Seismology: Narrowing the Gap Between Theory and Observations.- OOPCV: Phasediagram and Scaling Properties of the Projected SO(5) Model in Three Dimensions.- ParBaum: A Fast Program for Phylogenetic Tree Inference with Maximum Likelihood.- ParaGauss: The Density Functional Program ParaGauss for Complex Systems in Chemistry.
