The Art Of High Performance Computing For Computational Science

Written by high performance computing (HPC) experts, Introduction to High Performance Computing for Scientists and Engineers provides a solid introduction to current mainstream computer architecture, dominant parallel programming models, and useful optimization strategies for scientific HPC. From working in a scientific computing center, the author

This is a textbook that teaches the bridging topics between numerical analysis, parallel computing, code performance, large scale applications.

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 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.

Solutions for Time-Critical Remote Sensing Applications The recent use of latest-generation sensors in airborne and satellite platforms is producing a nearly continual stream of high-dimensional data, which, in turn, is creating new processing challenges. To address the computational requirements of time-critical applications, researchers

An in-depth overview of an emerging field that brings together high-performance computing, big data processing, and deep lLearning. Over the last decade, the exponential explosion of data known as big data has changed the way we understand and harness the power of data. The emerging field of high-performance big data computing, which brings together high-performance computing (HPC), big data processing, and deep learning, aims to meet the challenges posed by large-scale data processing. This book offers an in-depth overview of high-performance big data computing and the associated technical issues, approaches, and solutions. The book covers basic concepts and necessary background knowledge, including data processing frameworks, storage systems, and hardware capabilities; offers a detailed discussion of technical issues in accelerating big data computing in terms of computation, communication, memory and storage, codesign, workload characterization and benchmarking, and system deployment and management; and surveys benchmarks and workloads for evaluating big data middleware systems. It presents a detailed discussion of big data computing systems and applications with high-performance networking, computing, and storage technologies, including state-of-the-art designs for data processing and storage systems. Finally, the book considers some advanced research topics in high-performance big data computing, including designing high-performance deep learning over big data (DLoBD) stacks and HPC cloud technologies.

Industrial Applications of High-Performance Computing: Best Global Practices offers a global overview of high-performance computing (HPC) for industrial applications, along with a discussion of software challenges, business models, access models (e.g., cloud computing), public-private partnerships, simulation and modeling, visualization, big data a

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.