This book presents advanced and practical techniques for performance optimization for highly parallel processing. Featuring various parallelization techniques in material science, it is a valuable resource for anyone developing software codes for computational sciences such as physics, chemistry, biology, earth sciences, space science, weather, disaster prevention and manufacturing, as well as for anyone using those software codes. Chapter 1 outlines supercomputers and includes a brief explanation of the history of hardware. Chapter 2 presents procedures for performance evaluation, while Chapter 3 describes the set of tuned applications in materials science, nanoscience and nanotechnology, earth science and engineering on the K computer. Introducing the order-N method, based on density functional theory (DFT) calculation, Chapter 4 explains how to extend the applicability of DFT to large-scale systems by reducing the computational complexity. Chapter 5 discusses acceleration and parallelization in classical molecular dynamics simulations, and lastly, Chapter 6 explains techniques for large-scale quantum chemical calculations, including the order-N method. This is the second of the two volumes that grew out of a series of lectures in the K computer project in Japan. The first volume addresses more basic techniques, and this second volume focuses on advanced and concrete techniques.
An authoritative guide to today's revolution in "commodity supercomputing, " this book brings together more than 100 of the field's leading practitioners, providing a single source for up-to-the-minute information on virtually every key system issue associated with high-performance cluster computing.
High Performance Computing is an integrated computing environment for solving large-scale computational demanding problems in science, engineering and business. Newly emerging areas of HPC applications include medical sciences, transportation, financial operations and advanced human-computer interface such as virtual reality. High performance computing includes computer hardware, software, algorithms, programming tools and environments, plus visualization. The book addresses several of these key components of high performance technology and contains descriptions of the state-of-the-art computer architectures, programming and software tools and innovative applications of parallel computers. In addition, the book includes papers on heterogeneous network-based computing systems and scalability of parallel systems. The reader will find information and data relative to the two main thrusts of high performance computing: the absolute computational performance and that of providing the most cost effective and affordable computing for science, industry and business. The book is recommended for technical as well as management oriented individuals.
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). 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.
This book provides basic and practical techniques of parallel computing and related methods of numerical analysis for researchers who conduct numerical calculation and simulation. Although the techniques provided in this book are field-independent, these methods can be used in fields such as physics, chemistry, biology, earth sciences, space science, meteorology, disaster prevention, and manufacturing. In particular, those who develop software code in these areas will find this book useful. The contents are suitable for graduate students and researchers in computational science rather than novices at programming or informed experts in computer science. Starting with an introduction to the recent trends in computer architecture and parallel processing, Chapter 1 explains the basic knowledge of speedup programs with simple examples of numerical computing. Chapters 2 – 4 detail the basics of parallel programming, the message passing interface (MPI), and OpenMP and discuss hybrid parallelization techniques. Showing an actual example of adaptation, Chapter 5 gives an overview of performance tuning and communication optimizations. To deal with dense matrix calculations, Chapter 6 details the basics and practice of linear algebra calculation libraries BLAS and LAPACK, including some examples that can be easily reproduced by readers using free software. Focusing on sparse matrix calculations, Chapter 7 explains high performance algorithms for numerical linear algebra. Chapter 8 introduces the fast Fourier transform in large-scale systems from the basics. Chapter 9 explains optimization and related topics such as debug methods and version control systems. Chapter 10 discusses techniques for increasing computation accuracy as an essential topic in numerical calculation. This is the first of the two volumes that grew out of a series of lectures in the K computer project in Japan. The second volume will focus on advanced techniques and examples of applications in materials science.
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 2018. 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.
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 2020. 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.
This book contains mainly a selection of papers that were presented at the International Workshop on High Performance Computing/or Computer Graphics and Visualisation, held in Swansea, United Kingdom on 3-4 July 1995. The workshop was sponsored by the HEFCWI Initiative on ·Parallel Computing - Foundations and Applications·, and it has provided the international computer graphics community with a platform for: • assessing and reviewing the impact of the development of high performance computing on the progress of computer graphics and visualisation; • presenting the current use of high performance computing architecture and software tools in computer graphics and visualisation, and the development of parallel graphics algorithms; • identifying potential high performance computing applications in computer graphics and visualisation, and encouraging members of the graphics community to think about their problems from the perspective of parallelism. The book is divided into six sections. The first section, which acts as the introduction of the book, gives an overview of the current state of the art It contains a comprehensive survey, by Whitman, of parallel algorithms for computer graphics and visualisation; and a discussion, by Hansen, on the past, present and future high performance computing applications in computer graphics and visualisation. The second section is focused on the design and implementation of high performance architecture, software tools and algorithms for surface rendering.