The Art of High Performance Computing for Computational Science, Vol. 1
The Art of High Performance Computing for Computational Science, Vol. 1

Author: Masaaki Geshi

Publisher: Springer

Published: 2019-05-14

Total Pages: 222

ISBN-13: 9811361940

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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.

The Art of High Performance Computing for Computational Science, Vol. 2
The Art of High Performance Computing for Computational Science, Vol. 2

Author: Masaaki Geshi

Publisher: Springer Nature

Published: 2019-10-01

Total Pages: 209

ISBN-13: 981139802X

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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.

High Performance Computing in Science and Engineering ‘14
High Performance Computing in Science and Engineering ‘14

Author: Wolfgang E. Nagel

Publisher: Springer

Published: 2015-02-14

Total Pages: 682

ISBN-13: 3319108107

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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.

High Performance Cluster Computing
High Performance Cluster Computing

Author: Rajkumar Buyya

Publisher: Prentice Hall

Published: 1999

Total Pages: 904

ISBN-13:

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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 in Science and Engineering '20
High Performance Computing in Science and Engineering '20

Author: Wolfgang E. Nagel

Publisher: Springer Nature

Published: 2022-01-01

Total Pages: 577

ISBN-13: 3030806022

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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.

High Performance Computing in Science and Engineering ' 18
High Performance Computing in Science and Engineering ' 18

Author: Wolfgang E. Nagel

Publisher: Springer

Published: 2019-06-07

Total Pages: 502

ISBN-13: 3030133257

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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.

High Performance Computing for Computational Science - VECPAR 2002
High Performance Computing for Computational Science - VECPAR 2002

Author: José M.L.M. Palma

Publisher: Springer Science & Business Media

Published: 2003-04-07

Total Pages: 828

ISBN-13: 9783540008521

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This book constitutes the thoroughly refereed post-proceedings of the 5th International Conference on High Performance Computing for Computational Science, VECPAR 2002, held in Porto, Portugal in June 2002. The 45 revised full papers presented together with 4 invited papers were carefully selected during two rounds of reviewing and improvement. The papers are organized in topical sections on fluids and structures, data mining, computing in chemistry and biology, problem solving environments, computational linear and non-linear algebra, cluster computing, imaging, and software tools and environments.