High Performance Scientific Computing

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

Designed for undergraduates, An Introduction to High-Performance Scientific Computing assumes a basic knowledge of numerical computation and proficiency in Fortran or C programming and can be used in any science, computer science, applied mathematics, or engineering department or by practicing scientists and engineers, especially those associated with one of the national laboratories or supercomputer centers. This text evolved from a new curriculum in scientific computing that was developed to teach undergraduate science and engineering majors how to use high-performance computing systems (supercomputers) in scientific and engineering applications. Designed for undergraduates, An Introduction to High-Performance Scientific Computing assumes a basic knowledge of numerical computation and proficiency in Fortran or C programming and can be used in any science, computer science, applied mathematics, or engineering department or by practicing scientists and engineers, especially those associated with one of the national laboratories or supercomputer centers. The authors begin with a survey of scientific computing and then provide a review of background (numerical analysis, IEEE arithmetic, Unix, Fortran) and tools (elements of MATLAB, IDL, AVS). Next, full coverage is given to scientific visualization and to the architectures (scientific workstations and vector and parallel supercomputers) and performance evaluation needed to solve large-scale problems. The concluding section on applications includes three problems (molecular dynamics, advection, and computerized tomography) that illustrate the challenge of solving problems on a variety of computer architectures as well as the suitability of a particular architecture to solving a particular problem. Finally, since this can only be a hands-on course with extensive programming and experimentation with a variety of architectures and programming paradigms, the authors have provided a laboratory manual and supporting software via anonymous ftp. Scientific and Engineering Computation series

This book presents the state of the art in parallel numerical algorithms, applications, architectures, and system software. The book examines various solutions for issues of concurrency, scale, energy efficiency, and programmability, which are discussed in the context of a diverse range of applications. Features: includes contributions from an international selection of world-class authorities; examines parallel algorithm-architecture interaction through issues of computational capacity-based codesign and automatic restructuring of programs using compilation techniques; reviews emerging applications of numerical methods in information retrieval and data mining; discusses the latest issues in dense and sparse matrix computations for modern high-performance systems, multicores, manycores and GPUs, and several perspectives on the Spike family of algorithms for solving linear systems; presents outstanding challenges and developing technologies, and puts these in their historical context.

Based on a course developed by the author, Introduction to High Performance Scientific Computing introduces methods for adding parallelism to numerical methods for solving differential equations. It contains exercises and programming projects that facilitate learning as well as examples and discussions based on the C programming language, with additional comments for those already familiar with C++. The text provides an overview of concepts and algorithmic techniques for modern scientific computing and is divided into six self-contained parts that can be assembled in any order to create an introductory course using available computer hardware. Part I introduces the C programming language for those not already familiar with programming in a compiled language. Part II describes parallelism on shared memory architectures using OpenMP. Part III details parallelism on computer clusters using MPI for coordinating a computation. Part IV demonstrates the use of graphical programming units (GPUs) to solve problems using the CUDA language for NVIDIA graphics cards. Part V addresses programming on GPUs for non-NVIDIA graphics cards using the OpenCL framework. Finally, Part VI contains a brief discussion of numerical methods and applications, giving the reader an opportunity to test the methods on typical computing problems.

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 book constitutes the thoroughly refereed post-conference proceedings of the First JARA High-Performance Computing Symposium, JARA-HPC 2016, held in Aachen, Germany, in October 2016. The 21 full papers presented were carefully reviewed and selected from 26 submissions. They cover many diverse topics, such as coupling methods and strategies in Computational Fluid Dynamics (CFD), performance portability and applications in HPC, as well as provenance tracking for large-scale simulations.

High Performance Computing: Programming and Applications presents techniques that address new performance issues in the programming of high performance computing (HPC) applications. Omitting tedious details, the book discusses hardware architecture concepts and programming techniques that are the most pertinent to application developers for achievi

High Performance Computing: Modern Systems and Practices is a fully comprehensive and easily accessible treatment of high performance computing, covering fundamental concepts and essential knowledge while also providing key skills training. With this book, domain scientists will learn how to use supercomputers as a key tool in their quest for new knowledge. In addition, practicing engineers will discover how supercomputers can employ HPC systems and methods to the design and simulation of innovative products, and students will begin their careers with an understanding of possible directions for future research and development in HPC. Those who maintain and administer commodity clusters will find this textbook provides essential coverage of not only what HPC systems do, but how they are used. Covers enabling technologies, system architectures and operating systems, parallel programming languages and algorithms, scientific visualization, correctness and performance debugging tools and methods, GPU accelerators and big data problems Provides numerous examples that explore the basics of supercomputing, while also providing practical training in the real use of high-end computers Helps users with informative and practical examples that build knowledge and skills through incremental steps Features sidebars of background and context to present a live history and culture of this unique field Includes online resources, such as recorded lectures from the authors’ HPC courses