Leading-edge research groups in the field of scientific computing present their outstanding projects using the High Performance Computer in Bavaria (HLRB), Hitachi SR8000-F1, one of the top-level supercomputers for academic research in Germany. The projects address modelling and simulation in the disciplines Biosciences, Chemistry, Chemical Physics, Solid-State Physics, High-Energy Physics, Astrophysics, Geophysics, Computational Fluid Dynamics, and Computer Science. The authors describe their scientific background, their resource requirements with respect to top-level supercomputers, and their methods for efficient utilization of the costly high-performance computing power. Contributions of interdisciplinary research projects that have been supported by the Competence Network for Scientific High Performance Computing in Bavaria (KONWIHR) complete the broad range of supercomputer research and applications covered by this volume.

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.

For the fourth time, the Leibniz Supercomputing Centre (LRZ) and the Com- tence Network for Technical, Scienti c High Performance Computing in Bavaria (KONWIHR) publishes the results from scienti c projects conducted on the c- puter systems HLRB I and II (High Performance Computer in Bavaria). This book reports the research carried out on the HLRB systems within the last three years and compiles the proceedings of the Third Joint HLRB and KONWIHR Result and Reviewing Workshop (3rd and 4th December 2007) in Garching. In 2000, HLRB I was the rst system in Europe that was capable of performing more than one Tera op/s or one billion oating point operations per second. In 2006 it was replaced by HLRB II. After a substantial upgrade it now achieves a peak performance of more than 62 Tera op/s. To install and operate this powerful system, LRZ had to move to its new facilities in Garching. However, the situation regarding the need for more computation cycles has not changed much since 2000. The demand for higher performance is still present, a trend that is likely to continue for the foreseeable future. Other resources like memory and disk space are currently in suf cient abundance on this new system.

This book presents the state-of-the-art in modelling and simulation on supercomputers. Leading German research groups present their results achieved on high-end systems of the High Performance Computing Center Stuttgart (HLRS) for the year 2004. The reports cover all fields of computational science and engineering ranging from computational fluid dynamics via computational physics and chemistry to computer science. Special emphasis is given to industrially relevant applications. Presenting results for both vector-systems and micro-processor based systems the book allows to compare performance levels and usability of a variety of supercomputer architectures. In the light of the success of the Japanese Earth-Simulator this book may serve as a guide book for a US response. The book covers the main methods in high performance computing. Its outstanding results in achieving highest performance for production codes are of particular interest for both the scientist and the engineer. The book comes with a wealth of coloured illustrations and tables of results.

This book presents the state-of-the-art in simulation on supercomputers. Leading researchers present results achieved on systems of the Stuttgart High Performance Computing Center in 2007. The reports cover all fields of computational science and engineering, with emphasis on industrially relevant applications. Presenting results for both vector-based and microprocessor-based systems, the book allows comparison between performance levels and usability of various architectures.

This volume contains 27 contributions to the Second Russian-German Advanced Research Workshop on Computational Science and High Performance Computing presented in March 2005 at Stuttgart, Germany. Contributions range from computer science, mathematics and high performance computing to applications in mechanical and aerospace engineering.

The Leibniz Supercomputing Centre (LRZ) and the Bavarian Competence Network for Technical and Scienti?c High Performance Computing (KONWIHR) publish in the present book results of numerical simulations facilitated by the High P- formance Computer System in Bavaria (HLRB II) within the last two years. The papers were presented at the Fourth Joint HLRB and KONWIHR Review and - sult Workshop in Garching on 8th and 9th December 2009, and were selected from all progress reports of projects that use the HLRB II. Similar to the workshop two years ago, the majority of the contributed papers belong to the area of computational ?uid dynamics (CFD), condensed matter physics, astrophysics, chemistry, computer sciences and high-energy physics. We note a considerable increase of the user c- munity in some areas: Compared to 2007, the number of papers increased from 6 to 12 in condensed matter physics and from 2 to 5 in high-energy physics. Bio s- ences contributed only one paper in 2007, but four papers in 2009. This indicates that the area of application of supercomputers is continuously growing and entering new ?elds of research. The year 2007 saw two major events of particular importance for the LRZ. First, after a substantial upgrade with dual-core processors the SGI Altix 4700 superc- puter reached a peak performance of more than 62 Tera?op/s. And second, the n- pro?t organization Gauss Centre for Supercomputing e. V. (GCS) was founded on April 13th.