Lecture Notes in Computational Science 21 and Engineering Editors M. Griebel, Bonn D. E. Keyes, Norfolk R. M. Nieminen, Espoo D. Roose, Leuven T. Schlick, New York Springer-Verlag Berlin Heidelberg GmbH Michael Breuer Franz Durst Christoph Zenger Editors High Performance Seientifie and Engineering Computing Proceedings of the 3rd International FORTWIHR Conference on HPSEC, Erlangen, March 12-14,2001 With 265 Figures , Springer Editors Michael Breuer FranzDurst Lehrstuhl fur Stromungsmechanik (LSTM) Friedrich-Alexander-Universităt Erlangen-Niirnberg CauerstraBe 4 91058 Erlangen, Germany e-mail: [email protected] [email protected] Christoph Zenger Institut fur Informatik Technische Universităt Munchen 80Z90 Miinchen, Germany e-mail: [email protected] Front cover figure: designed from an original idea by Michael Breuer Cataloging-in-Publication Data applied for Die Deutsche Bibliothek -CIP-Einheitsaufnahme High performance scientific and engineering computing : proceedings of the 3rd International FORTWIHR Conference on HPSEC, Erlangen, March 12 -14, 2001/ Michael Breuer ___ ed. . -Berlin; Heidelberg ; New York; Barcelona ; Hong Kong ; London ; Milan ; Paris; Tokyo: Springer, 2002 (Lecture notes in computational science and engineering ; VoL 21) ISBN 978-3-540-42946-3 ISBN 978-3-642-55919-8 (eBook) DOI 10.1007/978-3-642-55919-8 Mathematics Subject Classification (ZOOO): 35->CK, 37->CK, 49->CK, 65->CK, 68->CK, 70->CK,74->CK, 76->CK, 80->CK,93->CK ISSN 1439-7358 ISBN 978-3-540-42946-3 This work is subject to copyright. All rights are reserved, whether the whole or part of the material is concerned, specifically the rights oC translation, reprinting, reuse oC illustrations, recitation, broad casting, reproduction on microfilm or in any other way, and storage in data banks. Duplication of this publication or parts thereof is permitted only under the provisions oC the German Copyright Law of September 9, 1965, in its current version, and permission for use must always be obtained from Springer-Verlag. Violations are liable for prosecution under the German Copyright Law. http://www.springer.de C Springer-Verlag Berlin Heidelberg 2002 Originally published by Springer-Verlag Berlin Heidelberg Nel!tJDrk in 2002 The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. Cover Design: Friedhelm Steinen-Broo, Estudio Calamar, Spain Cover production: design & production Typeset by the authors using a Springer TE1( macro package Printed on acid-free paper SPIN: 10653059 46/314l1LK -543210 Preface In Douglas Adams' book 'Hitchhiker's Guide to the Galaxy', hyper-intelligent beings reached a point in their existence where they wanted to understand the purpose of their own existence and the universe. They built a supercomputer, called Deep Thought, and upon completion, they asked it for the answer to the ultimate question of life, the universe and everything else. The computer worked for several millennia on the answers to all these questions. When the day arrived for hyper-intelligent beings the to receive the answer, they were stunned, shocked and disappointed to hear that the answer was simply 42. The still open questions to scientists and engineers are typically much sim pler and consequently the answers are more reasonable. Furthermore, because human beings are too impatient and not ready to wait for such a long pe riod, high-performance computing techniques have been developed, leading to much faster answers. Based on these developments in the last two decades, scientific and engineering computing has evolved to a key technology which plays an important role in determining, or at least shaping, future research and development activities in many branches of industry. Development work has been going on all over the world resulting in numerical methods that are now available for simulations that were not foreseeable some years ago. However, these days the availability of supercomputers with Teraflop perfor mance supports extensive computations with technical relevance. A new age of engineering has started. The 3rd International FORTWIHR Conference, which took place at the University of Erlangen-Niirnberg on March 12-14, 2001, brought together developers and users of computer codes that have been set up to carry out high-performance computations to solve scientific and/or engineering prob lems on supercomputers (FORTWIHR is the Bavarian Consortium for High Performance Scientific Computing). Researchers from all over the world pre sented their results and discussed the state of the art in high-performance computing. Furthermore, invited lectures presented major developments in the field and provided an outlook into the future. The main topics included the development of advanced numerical methods, parallel computing tech niques, grid generation, and visualization. Applications of these techniques are directed to fluid dynamics, material sciences, chemical engineering, com bustion, dynamic systems, optimal control, and electronic system design. The 1st FORTWIHR Conference took place in Munich in June 1993. The two-day event was attended by more than 300 scientists from indus try and from the academic field. Focusing on FORTWIHR's main research topics, leading experts in applied and numerical mathematics, informatics, VI Preface science, and engineering discussed recent results and new trends in the field of numerical simulation on high-performance architectures. The conference proceedings were published by Vieweg-Verlag as Vol. 48 of its 'Notes on Numerical Fluid Mechanics' series. The 2nd FORTWIHR Conference, held in Munich in March 1998, was a three-day international event with nearly 200 participants. The proceedings with 38 contributions were published by Springer-Verlag in a preceding edition of 'Lecture Notes in Computational Science and Engineering' (Vol. 8). The present volume of LNCSE is the result of the 3rd FORTWIHR Con ference. In 14 sessions, about sixty papers including five invited lectures were presented, covering a broad range of high-performance computing: computa tional fluid dynamics, combustion and porous media related flows, compu tational structural dynamics, dynamic systems and optimal control, crystal growth and materials, optimization of electronic circuits, and mathematical methods. After a reviewing process, 44 papers were selected for this volume. The proceedings represent the final act of the Bavarian research initiative FORTWIHR, launched in April 1992. The objectives of this initiative - major progress in selected areas of applications of high-performance scientific com puting (HPSC) by a strictly interdisciplinary approach in close cooperation between university and industry, rapid transfer of all results to the indus trial partners (especially small- and medium-sized companies), education of qualified and experienced experts for industry, strengthening of HPSC in the degree programs of participating universities - have definitely been reached. FORTWIHR expired in March 2001; however, the activities in this highly in teresting field of research and development are certainly continuing in all the participating university research groups and in the cooperating companies. The editors would like to express their thanks to several persons and in stitutions having contributed in different ways to the conference and to these proceedings. First, we thank our host, the Friedrich-Alexander-University Erlangen-Nurnberg for generously providing the perfect conference facilities, including the lecture halls. Next, we thank the entire FORTWIHR crew, especially Dr. G. Brenner, Prof. Dr. H.-J. Bungartz, S. Enger, N. Gergova, M. Gluck, J. Grasser, Dr. L. Kadinski, F. Kaschak, P. Lammers, Dr. D. Melling, LV. Paulus, M. SeIder, V. Vassilev, Th. Zeiser, and Dr. St. Zimmer, for all kinds of support before and during the conference. Furthermore, during the compilation of this book the support of M. Ihme and M. Gluck was highly valuable. Throughout the preparation and realization of this volume, cooperation with Dr. Martin Peters, Thanh-Ha Le Thi, and Leonie Kunz of Springer Verlag was fruitful and pleasant and will not be forgotten. Finally, we express our gratitude to the 'Bayerische Forschungsstiftung' and especially its former president, Prof. Dr. N. Fiebiger, furthermore to the 'Bayerische Staatsministerium fUr Wissenschaft, Forschung und Kunst' rep- Preface VII resented by Ministerialdirigent J. GroBkreutz, and last but not least FORT WIHR's numerous industrial partners and sponsors. Neither the conference including these proceedings and their pro cursors nor an important part of the results reported in many of the contributions would have been possible without their continuous financial support over a period of more than eight years. This support is gratefully acknowledged. Erlangen, September 2001 Michael Breuer Franz Durst Christoph Zenger Contents Part I. Fluid Flow Large-Scale Fluid-Structure Interaction Simulations Using Parallel Computers . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 R. Lohner, J.D. Baum, Ch. Charman, D. Pelessone MEGAFLOW - An Industrial Flow Simulation Tool for Aircraft Applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 21 N. Kroll Development of a Parallel FVM Based Groundwater Flow Model. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 29 B. Witte, R. Hinkelmann, R. Helmig Adaptive Hybrid Mixed Finite Element Discretization of Instationary Variably Saturated Flow in Porous Media ....... 37 P. Knabner, E. Schneid Simulation of High Pressure Liquid Chromatography (HPLC) Columns with CFD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 45 H. Boysen, G. Wozny, M. Lisso, W. Arlt, T. Laiblin CFD Calculations of Flow, Dispersion and Chemical Reactions in Fixed Bed Tubular Reactors Using the Lattice Boltzmann Method. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 53 Th. Zeiser, H. Freund, J. Bernsdorf, G. Brenner, F. Durst Computational Engineering for Wind-Exposed Thin-Walled Structures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 63 A. Halfmann, E. Rank, M. GlUck, M. Breuer, F. Durst, J. Bellmann, C. Katz Numerical Simulation of Wind Loads on Antenna Structures. 71 R. Sieber, P. Droll, M. Schiifer Numerical Calculation of Turbulent Premixed Flames with an Efficient Turbulent Flame Speed Closure Model . . . . . . . . . . . . .. 81 F. Dinkelacker Monte Carlo Simulations of Radiative Heat Transfer with Parallel Computer Architectures. . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 89 J. G. Marakis, J. Chamir;o, G. Brenner, F. Durst X Contents Direct Numerical Simulation of Bubble Swarms with a Parallel Front-Tracking Method. . . . . . . . . . . . . . . . . . . . . . . . . . . .. 97 M.F. Goz, B. Bunner, M. Sommerfeld, G. Tryggvason Symmetry-Preserving Discretization of Turbulent Channel Flow .......................................................... 107 R. W. C.P. Verstappen, A.E.P. Veldman Parallelization Strategies and Efficency of CFD Computations in Complex Geometries Using Lattice Boltzmann Methods on High-Performance Computers ................................ 115 M. Schulz, M. Krafczyk, J. Tolke, E. Rank Applications of the Lattice Boltzmann Method to Complex and Turbulent Flows .......................................... 123 L.-S. Lua, D. Qi, L.-P. Wang Computation of Flows Around Space Configurations .......... 131 A. Henze, W. Schroder, M. Meinke Flow Visualization on Hierarchical Cartesian Grids ........... 139 St. Roettger, M. Schulz, W. Bartelheimer, Th. Ertl Part II. Mathematical Methods The Finite Mass Method - A New Approach to the Solution of Flow Problems ............................................. 149 H. Yserentant An Octree-Based Approach for Fast Elliptic Solvers .......... 157 M. Bader, A.C. Frank, Ch. Zenger A Variable Order Method of Lines: Accuracy, Conservation and Applications ............................................. 167 H. Nishida, N. Satofuka A Hybrid Direct/Iterative Algorithm for the Solution of Pois- son's Equation Based on the Schur Complement Method 175 H.-J. Kaltenbach, A. Jiikel Part III. Crystal Growth and Materials High-Performance Computing, Multi-Scale Models for Crystal Growth Systems ...................................... 185 J.J. Derby, P. Daoutidis, Y. Kwon, A. Pandy, P. Sanda, B. Vartak, A. Yeckel, M. Hainke, G. Muller Contents XI Semi-Direct Numerical Simulation of a Czochralski Melt Flow on High-Performance Computers ............................. 201 S. Enger, F. Sehiifer, M. Breuer, F. Durst High-Order Numerical Solutions for Rotating Flows with Walls .................................................... 213 E. Serre, I. Raspo, O. Czarny, P. Bontoux, P. Droll, M. Sehiifer Parallel Coupled Simulation of Casting Processes on Cluster of PCs ........................................................ 221 P.A. Adamidis, M.M. Resch Controlling Point Defects in Single Silicon Crystals Grown by the Czochralski Method ...................................... 229 A. Voigt, J. Nitsehkowski, Ch. Weiehmann, K.-H. Hoffmann A Two-Scale Method for Liquid-Solid Phase Transitions with Dendritic Microstructure ..................................... 237 Ch. Eek, P. K nabner Application of Higher Order BDF Discretization of the Boussinesq Equation and the Heat Transport Equation ....... 245 G. Barwolff Spectral and Finite Volume Numerical Approximations for Solutal Convection in Melted Alloys .......................... 253 R. Guerin, M. El Ganaoui, P. Haldenwang Numerical Simulation of Physical Vapour Transport Crystal Growth Processes by a Finite Volume Solution Algorithm .... 261 M. Selder, L. Kadinski, F. Durst 3D Block-Structured Grid Algorithms for the Numerical Simulation of Chemical Vapor Deposition in Horizontal Reactors. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 269 L. Kadinski, P. Kaufmann, C. Lindner, F. Durst Electromagnetic Control of Electron Beam Evaporation: Numerical Simulation ......................................... 279 U. Liidtke, Ch. Karcher