Chapman & Hall/CRC Computational Science - Böcker

Unmatched: 50 Years of Supercomputing: A Personal Journey Accompanying the Evolution of a Powerful ToolThe rapid and extraordinary progress of supercomputing over the past half-century is a powerful demonstration of our relentless drive to understand and shape the world around us. In this book, David Barkai offers a unique and compelling account of this remarkable technological journey, drawing from his own rich experiences working at the forefront of high-performance computing (HPC).This book is a journey delineated as five decade-long ‘epochs’ defined by the systems’ architectural themes: vector processors, multi-processors, microprocessors, clusters, and accelerators and cloud computing. The final part examines key issues of HPC and discusses where it might be headed.A central goal of this book is to show how computing power has been applied, and, more importantly, how it has impacted and benefitted society. To this end, the use of HPC is illustrated in a range of industries and applications, from weather and climate modeling to engineering and life sciences. As such, this book appeals to both students and general readers with an interest in HPC, as well as industry professionals looking to revolutionize their practice.From the Foreword:“David Barkai's career has spanned five decades, during which he has had the rare opportunity to be part of some of the most significant developments in the field of supercomputing. His personal and professional insights, combined with his deep knowledge and passion for the subject matter, make this book an invaluable resource for anyone interested in the evolution of HPC and its impact on our lives.”-Horst Simon, Director, Abu Dhabi Investment Authority (ADIA) Lab

Unmatched: 50 Years of Supercomputing: A Personal Journey Accompanying the Evolution of a Powerful ToolThe rapid and extraordinary progress of supercomputing over the past half-century is a powerful demonstration of our relentless drive to understand and shape the world around us. In this book, David Barkai offers a unique and compelling account of this remarkable technological journey, drawing from his own rich experiences working at the forefront of high-performance computing (HPC).This book is a journey delineated as five decade-long ‘epochs’ defined by the systems’ architectural themes: vector processors, multi-processors, microprocessors, clusters, and accelerators and cloud computing. The final part examines key issues of HPC and discusses where it might be headed.A central goal of this book is to show how computing power has been applied, and, more importantly, how it has impacted and benefitted society. To this end, the use of HPC is illustrated in a range of industries and applications, from weather and climate modeling to engineering and life sciences. As such, this book appeals to both students and general readers with an interest in HPC, as well as industry professionals looking to revolutionize their practice.From the Foreword:“David Barkai's career has spanned five decades, during which he has had the rare opportunity to be part of some of the most significant developments in the field of supercomputing. His personal and professional insights, combined with his deep knowledge and passion for the subject matter, make this book an invaluable resource for anyone interested in the evolution of HPC and its impact on our lives.”-Horst Simon, Director, Abu Dhabi Investment Authority (ADIA) Lab

Parallel Programming with Co-Arrays describes the basic techniques used to design parallel algorithms for high-performance, scientific computing. It is intended for upper-level undergraduate students and graduate students who need to develop parallel codes with little or no previous introduction to parallel computing. It is also intended as a reference manual for researchers active in the field of scientific computing. All the algorithms in the book are based on partition operators. These operators provide a unifying principle that fits seemingly disparate techniques into an overall framework for algorithm design. The book uses the co-array programming model to illustrate how to write code for concrete examples, but it emphasizes that the important concepts for algorithm design are independent of the programming model. With these concepts in mind, the reader can write algorithms in different programming models based on personal taste and comfort.

GPU Parallel Program Development using CUDA teaches GPU programming by showing the differences among different families of GPUs. This approach prepares the reader for the next generation and future generations of GPUs. The book emphasizes concepts that will remain relevant for a long time, rather than concepts that are platform-specific. At the same time, the book also provides platform-dependent explanations that are as valuable as generalized GPU concepts. The book consists of three separate parts; it starts by explaining parallelism using CPU multi-threading in Part I. A few simple programs are used to demonstrate the concept of dividing a large task into multiple parallel sub-tasks and mapping them to CPU threads. Multiple ways of parallelizing the same task are analyzed and their pros/cons are studied in terms of both core and memory operation.Part II of the book introduces GPU massive parallelism. The same programs are parallelized on multiple Nvidia GPU platforms and the same performance analysis is repeated. Because the core and memory structures of CPUs and GPUs are different, the results differ in interesting ways. The end goal is to make programmers aware of all the good ideas, as well as the bad ideas, so readers can apply the good ideas and avoid the bad ideas in their own programs.Part III of the book provides pointer for readers who want to expand their horizons. It provides a brief introduction to popular CUDA libraries (such as cuBLAS, cuFFT, NPP, and Thrust),the OpenCL programming language, an overview of GPU programming using other programming languages and API libraries (such as Python, OpenCV, OpenGL, and Apple’s Swift and Metal,) and the deep learning library cuDNN.

From the Foreword:"The authors of the chapters in this book are the pioneers who will explore the exascale frontier. The path forward will not be easy... These authors, along with their colleagues who will produce these powerful computer systems will, with dedication and determination, overcome the scalability problem, discover the new algorithms needed to achieve exascale performance for the broad range of applications that they represent, and create the new tools needed to support the development of scalable and portable science and engineering applications. Although the focus is on exascale computers, the benefits will permeate all of science and engineering because the technologies developed for the exascale computers of tomorrow will also power the petascale servers and terascale workstations of tomorrow. These affordable computing capabilities will empower scientists and engineers everywhere."— Thom H. Dunning, Jr., Pacific Northwest National Laboratory and University of Washington, Seattle, Washington, USA"This comprehensive summary of applications targeting Exascale at the three DoE labs is a must read."— Rio Yokota, Tokyo Institute of Technology, Tokyo, Japan"Numerical simulation is now a need in many fields of science, technology, and industry. The complexity of the simulated systems coupled with the massive use of data makes HPC essential to move towards predictive simulations. Advances in computer architecture have so far permitted scientific advances, but at the cost of continually adapting algorithms and applications. The next technological breakthroughs force us to rethink the applications by taking energy consumption into account. These profound modifications require not only anticipation and sharing but also a paradigm shift in application design to ensure the sustainability of developments by guaranteeing a certain independence of the applications to the profound modifications of the architectures: it is the passage from optimal performance to the portability of performance. It is the challenge of this book to demonstrate by example the approach that one can adopt for the development of applications offering performance portability in spite of the profound changes of the computing architectures."— Christophe Calvin, CEA, Fundamental Research Division, Saclay, France"Three editors, one from each of the High Performance Computer Centers at Lawrence Berkeley, Argonne, and Oak Ridge National Laboratories, have compiled a very useful set of chapters aimed at describing software developments for the next generation exa-scale computers. Such a book is needed for scientists and engineers to see where the field is going and how they will be able to exploit such architectures for their own work. The book will also benefit students as it provides insights into how to develop software for such computer architectures. Overall, this book fills an important need in showing how to design and implement algorithms for exa-scale architectures which are heterogeneous and have unique memory systems. The book discusses issues with developing user codes for these architectures and how to address these issues including actual coding examples.’ — Dr. David A. Dixon, Robert Ramsay Chair, The University of Alabama, Tuscaloosa, Alabama, USA

"Ask not what your compiler can do for you, ask what you can do for your compiler."--John Levesque, Director of Cray’s Supercomputing Centers of ExcellenceThe next decade of computationally intense computing lies with more powerful multi/manycore nodes where processors share a large memory space. These nodes will be the building block for systems that range from a single node workstation up to systems approaching the exaflop regime. The node itself will consist of 10’s to 100’s of MIMD (multiple instruction, multiple data) processing units with SIMD (single instruction, multiple data) parallel instructions. Since a standard, affordable memory architecture will not be able to supply the bandwidth required by these cores, new memory organizations will be introduced. These new node architectures will represent a significant challenge to application developers.Programming for Hybrid Multi/Manycore MPP Systems attempts to briefly describe the current state-of-the-art in programming these systems, and proposes an approach for developing a performance-portable application that can effectively utilize all of these systems from a single application. The book starts with a strategy for optimizing an application for multi/manycore architectures. It then looks at the three typical architectures, covering their advantages and disadvantages.The next section of the book explores the other important component of the target—the compiler. The compiler will ultimately convert the input language to executable code on the target, and the book explores how to make the compiler do what we want. The book then talks about gathering runtime statistics from running the application on the important problem sets previously discussed.How best to utilize available memory bandwidth and virtualization is covered next, along with hybridization of a program. The last part of the book includes several major applications, and examines future hardware advancements and how the application developer may prepare for those advancements.

Introduction to Modeling and Simulation with MATLAB and Python is intended for students and professionals in science, social science, and engineering that wish to learn the principles of computer modeling, as well as basic programming skills. The book content focuses on meeting a set of basic modeling and simulation competencies that were developed as part of several National Science Foundation grants. Even though computer science students are much more expert programmers, they are not often given the opportunity to see how those skills are being applied to solve complex science and engineering problems and may also not be aware of the libraries used by scientists to create those models.The book interleaves chapters on modeling concepts and related exercises with programming concepts and exercises. The authors start with an introduction to modeling and its importance to current practices in the sciences and engineering. They introduce each of the programming environments and the syntax used to represent variables and compute mathematical equations and functions. As students gain more programming expertise, the authors return to modeling concepts, providing starting code for a variety of exercises where students add additional code to solve the problem and provide an analysis of the outcomes. In this way, the book builds both modeling and programming expertise with a "just-in-time" approach so that by the end of the book, students can take on relatively simple modeling example on their own.Each chapter is supplemented with references to additional reading, tutorials, and exercises that guide students to additional help and allows them to practice both their programming and analytical modeling skills. In addition, each of the programming related chapters is divided into two parts – one for MATLAB and one for Python. In these chapters, the authors also refer to additional online tutorials that students can use if they are having difficulty with any of the topics.The book culminates with a set of final project exercise suggestions that incorporate both the modeling and programming skills provided in the rest of the volume. Those projects could be undertaken by individuals or small groups of students.The companion website at http://www.intromodeling.com provides updates to instructions when there are substantial changes in software versions, as well as electronic copies of exercises and the related code. The website also offers a space where people can suggest additional projects they are willing to share as well as comments on the existing projects and exercises throughout the book. Solutions and lecture notes will also be available for qualifying instructors.

Software Engineering for Science provides an in-depth collection of peer-reviewed chapters that describe experiences with applying software engineering practices to the development of scientific software. It provides a better understanding of how software engineering is and should be practiced, and which software engineering practices are effective for scientific software.The book starts with a detailed overview of the Scientific Software Lifecycle, and a general overview of the scientific software development process. It highlights key issues commonly arising during scientific software development, as well as solutions to these problems. The second part of the book provides examples of the use of testing in scientific software development, including key issues and challenges. The chapters then describe solutions and case studies aimed at applying testing to scientific software development efforts.The final part of the book provides examples of applying software engineering techniques to scientific software, including not only computational modeling, but also software for data management and analysis. The authors describe their experiences and lessons learned from developing complex scientific software in different domains.About the EditorsJeffrey Carver is an Associate Professor in the Department of Computer Science at the University of Alabama. He is one of the primary organizers of the workshop series on Software Engineering for Science (http://www.SE4Science.org/workshops). Neil P. Chue Hong is Director of the Software Sustainability Institute at the University of Edinburgh. His research interests include barriers and incentives in research software ecosystems and the role of software as a research object.George K. Thiruvathukal is Professor of Computer Science at Loyola University Chicago and Visiting Faculty at Argonne National Laboratory. His current research is focused on software metrics in open source mathematical and scientific software.

Although multicore is now a mainstream architecture, there are few textbooks that cover parallel multicore architectures. Filling this gap, Fundamentals of Parallel Multicore Architecture provides all the material for a graduate or senior undergraduate course that focuses on the architecture of multicore processors. The book is also useful as a reference for professionals who deal with programming on multicore or designing multicore chips.The text’s coverage of fundamental topics prepares students to study research papers in the multicore architecture area. The text offers many pedagogical features, including:Sufficiently short chapters that can be comfortably read over a weekendIntroducing each concept by first describing the problem and building intuition that leads to the need for the concept"Did you know?" boxes that present mini case studies, alternative points of view, examples, and other interesting facts or discussion itemsThought-provoking interviews with experts who share their perspectives on multicore architectures in the past, present, and futureOnline programming assignments and solutions that enhance students’ understandingThe first several chapters address programming issues in shared memory multiprocessors, such as the programming model and techniques to parallelize regular and irregular applications. The core of the book covers the architectures for shared memory multiprocessors. The final chapter contains interviews with experts in parallel multicore architecture.

Introduction to Computational Models with Python explains how to implement computational models using the flexible and easy-to-use Python programming language. The book uses the Python programming language interpreter and several packages from the huge Python Library that improve the performance of numerical computing, such as the Numpy and Scipy modules. The Python source code and data files are available on the author’s website.The book’s five sections present: An overview of problem solving and simple Python programs, introducing the basic models and techniques for designing and implementing problem solutions, independent of software and hardware toolsProgramming principles with the Python programming language, covering basic programming concepts, data definitions, programming structures with flowcharts and pseudo-code, solving problems, and algorithmsPython lists, arrays, basic data structures, object orientation, linked lists, recursion, and running programs under LinuxImplementation of computational models with Python using Numpy, with examples and case studies The modeling of linear optimization problems, from problem formulation to implementation of computational modelsThis book introduces the principles of computational modeling as well as the approaches of multi- and interdisciplinary computing to beginners in the field. It provides the foundation for more advanced studies in scientific computing, including parallel computing using MPI, grid computing, and other methods and techniques used in high-performance computing.

State-of-the-Art Approaches to Advance the Large-Scale Green Computing MovementEdited by one of the founders and lead investigator of the Green500 list, The Green Computing Book: Tackling Energy Efficiency at Large Scale explores seminal research in large-scale green computing. It begins with low-level, hardware-based approaches and then traverses up the software stack with increasingly higher-level, software-based approaches.In the first chapter, the IBM Blue Gene team illustrates how to improve the energy efficiency of a supercomputer by an order of magnitude without any system performance loss in parallelizable applications. The next few chapters explain how to enhance the energy efficiency of a large-scale computing system via compiler-directed energy optimizations, an adaptive run-time system, and a general prediction performance framework. The book then explores the interactions between energy management and reliability and describes storage system organization that maximizes energy efficiency and reliability. It also addresses the need for coordinated power control across different layers and covers demand response policies in computing centers. The final chapter assesses the impact of servers on data center costs.

Contemporary High Performance Computing: From Petascale toward Exascale, Volume 3 focuses on the ecosystems surrounding the world’s leading centers for high performance computing (HPC). It covers many of the important factors involved in each ecosystem: computer architectures, software, applications, facilities, and sponsors. This third volume will be a continuation of the two previous volumes, and will include other HPC ecosystems using the same chapter outline: description of a flagship system, major application workloads, facilities, and sponsors.Features: Describes many prominent, international systems in HPC from 2015 through 2017 including each system’s hardware and software architecture Covers facilities for each system including power and cooling Presents application workloads for each site Discusses historic and projected trends in technology and applications Includes contributions from leading experts Designed for researchers and students in high performance computing, computational science, and related areas, this book provides a valuable guide to the state-of-the art research, trends, and resources in the world of HPC.

Autonomous Experimentation is poised to revolutionize scientific experiments at advanced experimental facilities. Whereas previously, human experimenters were burdened with the laborious task of overseeing each measurement, recent advances in mathematics, machine learning and algorithms have alleviated this burden by enabling automated and intelligent decision-making, minimizing the need for human interference. Illustrating theoretical foundations and incorporating practitioners’ first-hand experiences, this book is a practical guide to successful Autonomous Experimentation.Despite the field’s growing potential, there exists numerous myths and misconceptions surrounding Autonomous Experimentation. Combining insights from theorists, machine-learning engineers and applied scientists, this book aims to lay the foundation for future research and widespread adoption within the scientific community. This book is particularly useful for members of the scientific community looking to improve their research methods but also contains additional insights for students and industry professionals interested in the future of the field.

Autonomous Experimentation is poised to revolutionize scientific experiments at advanced experimental facilities. Whereas previously, human experimenters were burdened with the laborious task of overseeing each measurement, recent advances in mathematics, machine learning and algorithms have alleviated this burden by enabling automated and intelligent decision-making, minimizing the need for human interference. Illustrating theoretical foundations and incorporating practitioners’ first-hand experiences, this book is a practical guide to successful Autonomous Experimentation.Despite the field’s growing potential, there exists numerous myths and misconceptions surrounding Autonomous Experimentation. Combining insights from theorists, machine-learning engineers and applied scientists, this book aims to lay the foundation for future research and widespread adoption within the scientific community. This book is particularly useful for members of the scientific community looking to improve their research methods but also contains additional insights for students and industry professionals interested in the future of the field.

Written by one of the foremost experts in high-performance computing and the inventor of Gustafson’s law, Every Bit Counts: Posit Computing explains the foundations of a new way for computers to calculate that saves time, storage, energy, and power by packing more information into every bit than do legacy approaches. Both the AI and HPC communities are increasingly using the posit approach that Gustafson introduced in 2017, which may be the future of technical computing.What may seem like a dry subject is made engaging by including the human and historical side of the struggle to represent numbers on machines. The book is richly illustrated in full color throughout, with every effort made to make the material as clear and accessible as possible, and even humorous.Starting with the simplest form of the idea, the chapters gradually add concepts according to stated mathematical and engineering design principles, building a robust tool kit for creating application-specific number systems. There is also a thorough explanation of the Posit™ Standard (2022), with motivations and examples that expand on that terse 12-page document.

Written by one of the foremost experts in high-performance computing and the inventor of Gustafson’s law, Every Bit Counts: Posit Computing explains the foundations of a new way for computers to calculate that saves time, storage, energy, and power by packing more information into every bit than do legacy approaches. Both the AI and HPC communities are increasingly using the posit approach that Gustafson introduced in 2017, which may be the future of technical computing.What may seem like a dry subject is made engaging by including the human and historical side of the struggle to represent numbers on machines. The book is richly illustrated in full color throughout, with every effort made to make the material as clear and accessible as possible, and even humorous.Starting with the simplest form of the idea, the chapters gradually add concepts according to stated mathematical and engineering design principles, building a robust tool kit for creating application-specific number systems. There is also a thorough explanation of the Posit™ Standard (2022), with motivations and examples that expand on that terse 12-page document.

The hybrid/heterogeneous nature of future microprocessors and large high-performance computing systems will result in a reliance on two major types of components: multicore/manycore central processing units and special purpose hardware/massively parallel accelerators. While these technologies have numerous benefits, they also pose substantial performance challenges for developers, including scalability, software tuning, and programming issues. Researchers at the Forefront Reveal Results from Their Own State-of-the-Art WorkEdited by some of the top researchers in the field and with contributions from a variety of international experts, Scientific Computing with Multicore and Accelerators focuses on the architectural design and implementation of multicore and manycore processors and accelerators, including graphics processing units (GPUs) and the Sony Toshiba IBM (STI) Cell Broadband Engine (BE) currently used in the Sony PlayStation 3. The book explains how numerical libraries, such as LAPACK, help solve computational science problems; explores the emerging area of hardware-oriented numerics; and presents the design of a fast Fourier transform (FFT) and a parallel list ranking algorithm for the Cell BE. It covers stencil computations, auto-tuning, optimizations of a computational kernel, sequence alignment and homology, and pairwise computations. The book also evaluates the portability of drug design applications to the Cell BE and illustrates how to successfully exploit the computational capabilities of GPUs for scientific applications. It concludes with chapters on dataflow frameworks, the Charm++ programming model, scan algorithms, and a portable intracore communication framework.Explores the New Computational Landscape of Hybrid Processors By offering insight into the process of constructing and effectively using the technology, this volume provides a thorough and practical introduction to the area of hybrid computing. It discusses introductory concepts and simple examples of parallel computing, logical and performance debugging for parallel computing, and advanced topics and issues related to the use and building of many applications.

With multicore processors now in every computer, server, and embedded device, the need for cost-effective, reliable parallel software has never been greater. By explaining key aspects of multicore programming, Fundamentals of Multicore Software Development helps software engineers understand parallel programming and master the multicore challenge. Accessible to newcomers to the field, the book captures the state of the art of multicore programming in computer science. It covers the fundamentals of multicore hardware, parallel design patterns, and parallel programming in C++, .NET, and Java. It also discusses manycore computing on graphics cards and heterogeneous multicore platforms, automatic parallelization, automatic performance tuning, transactional memory, and emerging applications.As computing power increasingly comes from parallelism, software developers must embrace parallel programming. Written by leaders in the field, this book provides an overview of the existing and up-and-coming programming choices for multicores. It addresses issues in systems architecture, operating systems, languages, and compilers.

Designed for undergraduate students in the general science, engineering, and mathematics community, Introduction to the Simulation of Dynamics Using Simulink® shows how to use the powerful tool of Simulink to investigate and form intuitions about the behavior of dynamical systems. Requiring no prior programming experience, it clearly explains how to transition from physical models described by mathematical equations directly to executable Simulink simulations.Teaches students how to model and explore the dynamics of systemsStep by step, the author presents the basics of building a simulation in Simulink. He begins with finite difference equations and simple discrete models, such as annual population models, to introduce the concept of state. The text then covers ordinary differential equations, numerical integration algorithms, and time-step simulation. The final chapter offers overviews of some advanced topics, including the simulation of chaotic dynamics and partial differential equations.A one-semester undergraduate course on simulationWritten in an informal, accessible style, this guide includes many diagrams and graphics as well as exercises embedded within the text. It also draws on numerous examples from the science, engineering, and technology fields. The book deepens students’ understanding of simulated systems and prepares them for advanced and specialized studies in simulation. Ancillary materials are available at http://nw08.american.edu/~gray

Designed for senior undergraduate and first-year graduate students, Grid Computing: Techniques and Applications shows professors how to teach this subject in a practical way. Extensively classroom-tested, it covers job submission and scheduling, Grid security, Grid computing services and software tools, graphical user interfaces, workflow editors, and Grid-enabling applications.The book begins with an introduction that discusses the use of a Grid computing Web-based portal. It then examines the underlying action of job submission using a command-line interface and the use of a job scheduler. After describing both general Internet security techniques and specific security mechanisms developed for Grid computing, the author focuses on Web services technologies and how they are adopted for Grid computing. He also discusses the advantages of using a graphical user interface over a command-line interface and presents a graphical workflow editor that enables users to compose sequences of computational tasks visually using a simple drag-and-drop interface. The final chapter explains how to deploy applications on a Grid.The Grid computing platform offers much more than simply running an application at a remote site. It also enables multiple, geographically distributed computers to collectively obtain increased speed and fault tolerance. Illustrating this kind of resource discovery, this practical text encompasses the varied and interconnected aspects of Grid computing, including how to design a system infrastructure and Grid portal.Supplemental Web ResourcesThe author’s Web site offers various instructional resources, including slides and links to software for programming assignments. Many of these assignments do not require access to a Grid platform. Instead, the author provides step-by-step instructions for installing open-source software to deploy and test Web and Grid services, a Grid computing workflow editor to design and test workflows, and a Grid computing portal to deploy portlets.

Full of practical examples, Introduction to Scheduling presents the basic concepts and methods, fundamental results, and recent developments of scheduling theory. With contributions from highly respected experts, it provides self-contained, easy-to-follow, yet rigorous presentations of the material.The book first classifies scheduling problems and their complexity and then presents examples that demonstrate successful techniques for the design of efficient approximation algorithms. It also discusses classical problems, such as the famous makespan minimization problem, as well as more recent advances, such as energy-efficient scheduling algorithms. After focusing on job scheduling problems that encompass independent and possibly parallel jobs, the text moves on to a practical application of cyclic scheduling for the synthesis of embedded systems. It also proves that efficient schedules can be derived in the context of steady-state scheduling. Subsequent chapters discuss scheduling large and computer-intensive applications on parallel resources, illustrate different approaches of multi-objective scheduling, and show how to compare the performance of stochastic task-resource systems. The final chapter assesses the impact of platform models on scheduling techniques.From the basics to advanced topics and platform models, this volume provides a thorough introduction to the field. It reviews classical methods, explores more contemporary models, and shows how the techniques and algorithms are used in practice.

From the Foreword:"The authors of the chapters in this book are the pioneers who will explore the exascale frontier. The path forward will not be easy... These authors, along with their colleagues who will produce these powerful computer systems will, with dedication and determination, overcome the scalability problem, discover the new algorithms needed to achieve exascale performance for the broad range of applications that they represent, and create the new tools needed to support the development of scalable and portable science and engineering applications. Although the focus is on exascale computers, the benefits will permeate all of science and engineering because the technologies developed for the exascale computers of tomorrow will also power the petascale servers and terascale workstations of tomorrow. These affordable computing capabilities will empower scientists and engineers everywhere."— Thom H. Dunning, Jr., Pacific Northwest National Laboratory and University of Washington, Seattle, Washington, USA"This comprehensive summary of applications targeting Exascale at the three DoE labs is a must read."— Rio Yokota, Tokyo Institute of Technology, Tokyo, Japan"Numerical simulation is now a need in many fields of science, technology, and industry. The complexity of the simulated systems coupled with the massive use of data makes HPC essential to move towards predictive simulations. Advances in computer architecture have so far permitted scientific advances, but at the cost of continually adapting algorithms and applications. The next technological breakthroughs force us to rethink the applications by taking energy consumption into account. These profound modifications require not only anticipation and sharing but also a paradigm shift in application design to ensure the sustainability of developments by guaranteeing a certain independence of the applications to the profound modifications of the architectures: it is the passage from optimal performance to the portability of performance. It is the challenge of this book to demonstrate by example the approach that one can adopt for the development of applications offering performance portability in spite of the profound changes of the computing architectures."— Christophe Calvin, CEA, Fundamental Research Division, Saclay, France"Three editors, one from each of the High Performance Computer Centers at Lawrence Berkeley, Argonne, and Oak Ridge National Laboratories, have compiled a very useful set of chapters aimed at describing software developments for the next generation exa-scale computers. Such a book is needed for scientists and engineers to see where the field is going and how they will be able to exploit such architectures for their own work. The book will also benefit students as it provides insights into how to develop software for such computer architectures. Overall, this book fills an important need in showing how to design and implement algorithms for exa-scale architectures which are heterogeneous and have unique memory systems. The book discusses issues with developing user codes for these architectures and how to address these issues including actual coding examples.’ — Dr. David A. Dixon, Robert Ramsay Chair, The University of Alabama, Tuscaloosa, Alabama, USA

Visualization and analysis tools, techniques, and algorithms have undergone a rapid evolution in recent decades to accommodate explosive growth in data size and complexity and to exploit emerging multi- and many-core computational platforms. High Performance Visualization: Enabling Extreme-Scale Scientific Insight focuses on the subset of scientific visualization concerned with algorithm design, implementation, and optimization for use on today’s largest computational platforms.The book collects some of the most seminal work in the field, including algorithms and implementations running at the highest levels of concurrency and used by scientific researchers worldwide. After introducing the fundamental concepts of parallel visualization, the book explores approaches to accelerate visualization and analysis operations on high performance computing platforms. Looking to the future and anticipating changes to computational platforms in the transition from the petascale to exascale regime, it presents the main research challenges and describes several contemporary, high performance visualization implementations.Reflecting major concepts in high performance visualization, this book unifies a large and diverse body of computer science research, development, and practical applications. It describes the state of the art at the intersection of scientific visualization, large data, and high performance computing trends, giving readers the foundation to apply the concepts and carry out future research in this area.

Data-intensive science has the potential to transform scientific research and quickly translate scientific progress into complete solutions, policies, and economic success. But this collaborative science is still lacking the effective access and exchange of knowledge among scientists, researchers, and policy makers across a range of disciplines. Bringing together leaders from multiple scientific disciplines, Data-Intensive Science shows how a comprehensive integration of various techniques and technological advances can effectively harness the vast amount of data being generated and significantly accelerate scientific progress to address some of the world’s most challenging problems.In the book, a diverse cross-section of application, computer, and data scientists explores the impact of data-intensive science on current research and describes emerging technologies that will enable future scientific breakthroughs. The book identifies best practices used to tackle challenges facing data-intensive science as well as gaps in these approaches. It also focuses on the integration of data-intensive science into standard research practice, explaining how components in the data-intensive science environment need to work together to provide the necessary infrastructure for community-scale scientific collaborations.Organizing the material based on a high-level, data-intensive science workflow, this book provides an understanding of the scientific problems that would benefit from collaborative research, the current capabilities of data-intensive science, and the solutions to enable the next round of scientific advancements.

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 achieving high performance. Even though the text concentrates on C and Fortran, the techniques described can be applied to other languages, such as C++ and Java.Drawing on their experience with chips from AMD and systems, interconnects, and software from Cray Inc., the authors explore the problems that create bottlenecks in attaining good performance. They cover techniques that pertain to each of the three levels of parallelism: Message passing between the nodes Shared memory parallelism on the nodes or the multiple instruction, multiple data (MIMD) units on the acceleratorVectorization on the inner level After discussing architectural and software challenges, the book outlines a strategy for porting and optimizing an existing application to a large massively parallel processor (MPP) system. With a look toward the future, it also introduces the use of general purpose graphics processing units (GPGPUs) for carrying out HPC computations. A companion website at www.hybridmulticoreoptimization.com contains all the examples from the book, along with updated timing results on the latest released processors.

The Future of Numerical ComputingWritten by one of the foremost experts in high-performance computing and the inventor of Gustafson‘s Law, The End of Error: Unum Computing explains a new approach to computer arithmetic: the universal number (unum). The unum encompasses all IEEE floating-point formats as well as fixed-point and exact integer arithmetic. This new number type obtains more accurate answers than floating-point arithmetic yet uses fewer bits in many cases, saving memory, bandwidth, energy, and power. A Complete Revamp of Computer Arithmetic from the Ground UpRichly illustrated in color, this groundbreaking book represents a fundamental change in how to perform calculations automatically. It illustrates how this novel approach can solve problems that have vexed engineers and scientists for decades, including problems that have been historically limited to serial processing. Suitable for Anyone Using Computers for CalculationsThe book is accessible to anyone who uses computers for technical calculations, with much of the book only requiring high school math. The author makes the mathematics interesting through numerous analogies. He clearly defines jargon and uses color-coded boxes for mathematical formulas, computer code, important descriptions, and exercises.

With an emphasis on problem solving, this book introduces the basic principles and fundamental concepts of computational modeling. It emphasizes reasoning and conceptualizing problems, the elementary mathematical modeling, and the implementation using computing concepts and principles. Examples are included that demonstrate the computation and visualization of the implemented models.The author provides case studies, along with an overview of computational models and their development. The first part of the text presents the basic concepts of models and techniques for designing and implementing problem solutions. It applies standard pseudo-code constructs and flowcharts for designing models. The second part covers model implementation with basic programming constructs using MATLAB, Octave, and FreeMat. Aimed at beginning students in computer science, mathematics, statistics, and engineering, Introduction to Elementary Computational Modeling: Essential Concepts, Principles, and Problem Solving focuses on fundamentals, helping the next generation of scientists and engineers hone their problem solving skills.

Created to help scientists and engineers write computer code, this practical book addresses the important tools and techniques that are necessary for scientific computing, but which are not yet commonplace in science and engineering curricula. This book contains chapters summarizing the most important topics that computational researchers need to know about. It leverages the viewpoints of passionate experts involved with scientific computing courses around the globe and aims to be a starting point for new computational scientists and a reference for the experienced. Each contributed chapter focuses on a specific tool or skill, providing the content needed to provide a working knowledge of the topic in about one day. While many individual books on specific computing topics exist, none is explicitly focused on getting technical professionals and students up and running immediately across a variety of computational areas.

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 authors gained a unique perspective on the requirements and attitudes of users as well as manufacturers of parallel computers.The text first introduces the architecture of modern cache-based microprocessors and discusses their inherent performance limitations, before describing general optimization strategies for serial code on cache-based architectures. It next covers shared- and distributed-memory parallel computer architectures and the most relevant network topologies. After discussing parallel computing on a theoretical level, the authors show how to avoid or ameliorate typical performance problems connected with OpenMP. They then present cache-coherent non-uniform memory access (ccNUMA) optimization techniques, examine distributed-memory parallel programming with message passing interface (MPI), and explain how to write efficient MPI code. The final chapter focuses on hybrid programming with MPI and OpenMP.Users of high performance computers often have no idea what factors limit time to solution and whether it makes sense to think about optimization at all. This book facilitates an intuitive understanding of performance limitations without relying on heavy computer science knowledge. It also prepares readers for studying more advanced literature.Read about the authors' recent honor: Informatics Europe Curriculum Best Practices Award for Parallelism and Concurrency.