The book reports on selected projects on the High Performance Computer in Bavaria (HLRB). The projects originate from the fields of fluid dynamics, astrophysics and cosmology, computational physics including high energy physics, computational chemistry and materials sciences, geophysics, biosciences, and computer sciences. Moreover, results from KONWIHR (the Competence Network for Technical and Scientific High Performance Computing in Bavaria) are presented. The articles provide an overview of the broad range of applications that require high performance computing for solving challenging problems. For each project the scientific background is described, along with the results achieved and methodology used. The book also describes the latest advances in high performance applications and reports on the performance and scaling numbers.
Author(s): Bernd Brügmann, José A. González, Mark D. Hannam, Sascha Husa, Ulrich Sperhake (auth.), Siegfried Wagner, Matthias Steinmetz, Arndt Bode, Matthias Brehm (eds.)
Edition: 1
Publisher: Springer-Verlag Berlin Heidelberg
Year: 2009
Language: English
Pages: 717
Tags: Computational Mathematics and Numerical Analysis;Numerical and Computational Methods;Fluids;Astrophysics;Mathematics of Computing
Front Matter....Pages i-xii
Front Matter....Pages 1-1
Numerical Simulations of Compact Binary Systems....Pages 3-18
Ab Initio Vlasov Code Simulation of Micro-Turbulence, Phase Space Structure Formation and the Resulting Anomalous Transport and Particle Acceleration in Collisionless Astrophysical Plasmas, I: The 2D2V Code....Pages 19-28
The ART of Cosmological Simulations....Pages 29-43
Modeling of Turbulent Flows Applied to Numerical Simulations of Galaxy Clusters....Pages 45-56
The Onset of Convection During the Core Helium Flash....Pages 57-64
Formation of the First Supermassive Black Holes in the Early Universe....Pages 65-77
Star Formation in the Turbulent Interstellar Medium and Its Implications on Galaxy Evolution....Pages 79-91
The Aquarius Project: Cold Dark Matter under a Numerical Microscope....Pages 93-108
Front Matter....Pages 109-109
ParBaum: Large-Scale Maximum Likelihood-Based Phylogenetic Analyses....Pages 111-125
Front Matter....Pages 127-127
A Theoretical Study of Polyoxometalates and Dendrizyme Model Compounds....Pages 129-142
Multi Dimensional Quantum Dynamics of Chemical Reaction Processes....Pages 143-152
Investigating Protein-Protein and Protein-Ligand Interactions by Molecular Dynamics Simulations....Pages 153-164
Probing the Mechanical Strength of Chemical Bonds by Stretching Single Molecules....Pages 165-172
Plane Wave Density Functional Model Studies of Chemistry at Surfaces....Pages 173-186
Oxidative Dehydrogenation of Simple Molecules over RuO 2 (110): Density Functional Theory Calculations....Pages 187-199
Redox Catalysis and Reactivity of Metalloporphyrines....Pages 201-212
Front Matter....Pages 213-213
Numerical Optimization of Compressor Casing Treatments for Influencing the Tip Gap Vortex....Pages 215-225
High-Performance Computing for the Investigation of the Flow Past an Airfoil with Trailing-Edge Stall....Pages 227-240
On the Turbulence Structure in Supersonic Nozzle Flow....Pages 241-250
Large Scale CFD for Complex Flows....Pages 251-260
Front Matter....Pages 213-213
Flow Simulations of an Axial Transonic Compressor Stage....Pages 261-273
Gyrokinetic Turbulence Simulations for Fusion Plasmas....Pages 275-289
A Parallel CFD Solver Using the Discontinuous Galerkin Approach....Pages 291-302
A-priori Analysis of the LMSE Micromixing Model for Filtered-Density Function Simulation in High Schmidt Number Flows....Pages 303-314
Characterization of the Dissipation Tensor from DNS of Grid-Generated Turbulence....Pages 315-323
Numerical Investigation of the Noise Emission from Serrated Nozzles in Coaxial Jets....Pages 325-334
Numerical Simulation of Fluid-Structure- and Fluid-Structure-Acoustic Interaction Based on a Partitioned Coupling Scheme....Pages 335-348
Large-Eddy Simulation of Plane Jet Injection into Supersonic Turbulent Crossflow....Pages 349-363
Simulation of the Flow around the Stratospheric Observatory for Infrared Astronomy SOFIA Using URANS and DES....Pages 365-375
Direct Numerical Simulation of Flame/Acoustic Interactions....Pages 377-385
Scaling Properties of Convective Turbulence....Pages 387-396
Parallel Free-Surface and Multi-Phase Simulations in Complex Geometries Using Lattice Boltzmann Methods....Pages 397-410
Dynamics of Heavy Particles in Turbulent Flows....Pages 411-419
Interactive Indoor Thermal Comfort Evaluation....Pages 421-430
DNS of Transition to Turbulence in a Linear Compressor Cascade....Pages 431-440
Front Matter....Pages 441-441
Some Applications of the PDE Solver FDEM with Error Estimate....Pages 443-457
waLBerla: The Need for Large-Scale Super Computers....Pages 459-473
Scalable Multigrid....Pages 475-483
RZBENCH: Performance Evaluation of Current HPC Architectures Using Low-Level and Application Benchmarks....Pages 485-501
Towards Scalable Parallel Numerical Algorithms and Dynamic Load Balancing Strategies....Pages 503-516
Front Matter....Pages 441-441
The HLRB Cluster as Quantum CISC Compiler....Pages 517-533
Concepts for Efficient Flow Solvers Based on Adaptive Cartesian Grids....Pages 535-549
Challenges and Potentials of Emerging Multicore Architectures....Pages 551-566
Front Matter....Pages 567-567
A p -Adaptive Discontinuous Galerkin Method with Local Time Steps for Computational Seismology....Pages 569-584
Predictability of Rayleigh-Number and Continental-Growth Evolution of a Dynamic Model of the Earth’s Mantle....Pages 585-600
Quantifying Uncertainties in Earthquake Scenario Ground Motion Calculations: Finite Source Effects....Pages 601-610
Front Matter....Pages 611-611
Dynamical Lattice QCD with Ginsparg-Wilson-Type Fermions....Pages 613-626
Simulation of N f =2+1 Lattice QCD at Realistic Quark Masses....Pages 627-638
Front Matter....Pages 639-639
Long-Range Chiral Recognition Due to Substrate Locking and Substrate-Adsorbate Charge Transfer....Pages 641-648
Quantum Transport within a Background Medium: Fluctuations versus Correlations....Pages 649-668
Quantum Monte Carlo Studies of Strongly Correlated Electron Systems....Pages 669-686
Charge Transport through Guanine Crystals....Pages 687-695
Electronic Charge and Orbital Reconstruction at Cuprate-Titanate Interfaces....Pages 697-707
Compensation Mechanisms and Functionality of Transition Metal Oxide Surfaces and Interfaces: A Density Functional Theory Study....Pages 709-717
