High Performance Computing in Science and Engineering ' 17 : Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2017

Description

This book presents the state-of-the-art in supercomputer simulation. It includes the latest findings from leading researchers using systems from the High Performance Computing Center Stuttgart (HLRS) in 2017. The reports cover all fields of computational science and engineering ranging from CFD to computational physics and from chemistry to computer science with a special emphasis on industrially relevant applications. Presenting findings of one of Europe’s leading systems, this volume covers a wide variety of applications that deliver a high level of sustained performance.The book covers the main methods in high-performance computing. Its outstanding results in achieving the best performance for production codes are of particular interest for both scientists and engineers. The book comes with a wealth of color illustrations and tables of results. Front Matter ....Pages i-viii Front Matter ....Pages 1-3 Blood Proteins and Their Interactions with Nanoparticles Investigated Using Molecular Dynamics Simulations (Timo Schäfer, Jiajia Zhou, Friederike Schmid, Giovanni Settanni)....Pages 5-19 Cosmic Large-Scale Structure in the IllustrisTNG Simulations (Volker Springel, Annalisa Pillepich, Rainer Weinberger, Rüdiger Pakmor, Lars Hernquist, Dylan Nelson et al.)....Pages 21-36 PAMOP: Large-Scale Calculations Supporting Experiments and Astrophysical Applications (B. M. McLaughlin, C. P. Ballance, M. S. Pindzola, P. C. Stancil, J. F. Babb, S. Schippers et al.)....Pages 37-59 Phenomenology of Strange Resonances (Paolo Alba, Rene Bellwied, Szabolcs Borsanyi, Zoltan Fodor, Jana Günther, Sandor D. Katz et al.)....Pages 61-76 Real-Time Lattice Simulations of Quantum Anomalies, Topologies and Particle Production in Strongly Correlated Gauge Theories (Niklas Mueller, Oscar Garcia-Montero, Naoto Tanji, Juergen Berges)....Pages 77-92 Many-Body Effects in Fragmented, Depleted, and Condensed Bosonic Systems in Traps and Optical Cavities by MCTDHB and MCTDH-X (Ofir E. Alon, Raphael Beinke, Christoph Bruder, Lorenz S. Cederbaum, Shachar Klaiman, Axel U. J. Lode et al.)....Pages 93-115 Front Matter ....Pages 117-119 Calculation of Global, High-Dimensional Potential Energy Surface Fits in Sum-of-Products Form Using Monte-Carlo Methods (Markus Schröder, Hans-Dieter Meyer)....Pages 121-139 Sum Frequency Generation Spectra from Velocity-Velocity Correlation Functions: New Developments and Applications (Khatib Rémi, Sulpizi Marialore)....Pages 141-156 Photo-Excited Surface Dynamics from Massively Parallel Constrained-DFT Calculations (A. Lücke, T. Biktagirov, A. Riefer, M. Landmann, M. Rohrmüller, C. Braun et al.)....Pages 157-168 Dynamic Material Parameters in Molecular Dynamics and Hydrodynamic Simulations on Ultrashort-Pulse Laser Ablation of Aluminum (Stefan Scharring, Marco Patrizio, Hans-Albert Eckel, Johannes Roth, Mikhail Povarnitsyn)....Pages 169-186 Front Matter ....Pages 187-188 Automated Code Generation for Maximizing Performance of Detailed Chemistry Calculations in OpenFOAM (Thorsten Zirwes, Feichi Zhang, Jordan A. Denev, Peter Habisreuther, Henning Bockhorn)....Pages 189-204 A Resolved Simulation Study on the Interactions Between Droplets and Turbulent Flames Using OpenFOAM (B. Wang, H. Chu, A. Kronenburg, O. T. Stein)....Pages 205-220 Towards Affordable LES of Rocket Combustion Engines (Roman Keller, Martin Grader, Peter Gerlinger, Manfred Aigner)....Pages 221-234 Front Matter ....Pages 235-240 Numerical Analysis of Heat Transfer During Cooling of Supercritical Fluid by Means of Direct Numerical Simulation (Sandeep Pandey, Xu Chu, Eckart Laurien)....Pages 241-254 Control of Traveling Crossflow Vortices Using Plasma Actuators (Philipp C. Dörr, Zhengfei Guo, Johannes M. F. Peter, Markus J. Kloker)....Pages 255-267 Towards the Implementation of a New Multigrid Solver in the DNS Code FS3D for Simulations of Shear-Thinning Jet Break-Up at Higher Reynolds Numbers (Moritz Ertl, Jonathan Reutzsch, Arne Nägel, Gabriel Wittum, Bernhard Weigand)....Pages 269-287 Numerical Investigation of the Turbulent Wake of Generic Space Launchers (S. Loosen, V. Statnikov, M. Meinke, W. Schröder)....Pages 289-304 Optimization and HPC-Applications of the Flow Solver FLOWer (Johannes Letzgus, Lukas Dürrwächter, Ulrich Schäferlein, Manuel Keßler, Ewald Krämer)....Pages 305-322 Numerical Simulations of Artificial Disturbance Influence on a High Lift Airfoil (Katharina Wawrzinek, Thorsten Lutz, Ewald Krämer)....Pages 323-337 About the Influence of Wind Tunnel Walls, Tower and Nozzle on the Performance of a Model Wind Turbine (Annette Klein (née Fischer), Sven Zabel, Thorsten Lutz, Ewald Krämer)....Pages 339-353 Numerical Analysis of a Propeller Turbine Operated in Part Load Conditions (Bernd Junginger, Stefan Riedelbauch)....Pages 355-368 Mesoscale Simulations of Janus Particles and Deformable Capsules in Flow (Othmane Aouane, Qingguang Xie, Andrea Scagliarini, Jens Harting)....Pages 369-385 Application and Development of the High Order Discontinuous Galerkin Spectral Element Method for Compressible Multiscale Flows (Andrea Beck, Thomas Bolemann, David Flad, Hannes Frank, Nico Krais, Kristina Kukuschkin et al.)....Pages 387-407 Front Matter ....Pages 409-410 Regional Climate Simulations with COSMO-CLM: Ensembles, Very High Resolution and Paleoclimate (G. Schädler, H.-J. Panitz, E. Christner, H. Feldmann, M. Karremann, N. Laube)....Pages 411-429 High Resolution WRF Simulations for Climate Change Studies in Germany (Kirsten Warrach-Sagi, Viktoria Mohr, Volker Wulfmeyer)....Pages 431-440 Seasonal Simulation of Weather Extremes (Thomas Schwitalla, Volker Wulfmeyer, Kirsten Warrach-Sagi)....Pages 441-451 Front Matter ....Pages 453-455 Massively Parallel Multigrid for the Simulation of Skin Permeation on Anisotropic Tetrakaidecahedral Cell Geometries (Sebastian Reiter, Arne Nägel, Andreas Vogel, Gabriel Wittum)....Pages 457-466 Real Data Applications of Seismic Full Waveform Inversion (A. Kurzmann, L. Gaßner, R. Shigapov, N. Thiel, N. Athanasopoulos, T. Bohlen et al.)....Pages 467-484 The Impact of Pores on Microstructure Evolution: A Phase-Field Study of Pore-Grain Boundary Interaction (V. Rehn, J. Hötzer, M. Kellner, M. Seiz, C. Serr, W. Rheinheimer et al.)....Pages 485-502 Modeling the Interior Dynamics of Terrestrial Planets (Ana-Catalina Plesa, Christian Hüttig, Florian Willich)....Pages 503-512 EXAHD: An Exa-Scalable Two-Level Sparse Grid Approach for Higher-Dimensional Problems in Plasma Physics and Beyond (Mario Heene, Alfredo Parra Hinojosa, Michael Obersteiner, Hans-Joachim Bungartz, Dirk Pflüger)....Pages 513-529