LAPACK95 is a Fortran 95 interface to the Fortran 77 LAPACK library. It is relevant for anyone who writes in the Fortran 95 language and needs reliable software for basic numerical linear algebra. It improves upon the original user-interface to the LAPACK package, taking advantage of the considerable simplifications that Fortran 95 allows. LAPACK95 Users' Guide provides an introduction to the design of the LAPACK95 package, a detailed description of its contents, reference manuals for the leading comments of the routines, and example programs.
This compact yet thorough tutorial is the perfect introduction to the basic concepts of solving partial differential equations (PDEs) using parallel numerical methods. In just eight short chapters, the authors provide readers with enough basic knowledge of PDEs, discretization methods, solution techniques, parallel computers, parallel programming, and the run-time behavior of parallel algorithms to allow them to understand, develop, and implement parallel PDE solvers. Examples throughout the book are intentionally kept simple so that the parallelization strategies are not dominated by technical details.
Simulating, Analyzing, and Animating Dynamical Systems: A Guide to XPPAUT for Researchers and Students provides sophisticated numerical methods for the fast and accurate solution of a variety of equations, including ordinary differential equations, delay equations, integral equations, functional equations, and some partial differential equations, as well as boundary value problems. It introduces many modeling techniques and methods for analyzing the resulting equations. Instructors, students, and researchers will all benefit from this book, which demonstrates how to use software tools to simulate and study sets of equations that arise in a variety of applications. Instructors will learn how to use computer software in their differential equations and modeling classes, while students will learn how to create animations of their equations that can be displayed on the World Wide Web. Researchers will be introduced to useful tricks that will allow them to take full advantage of XPPAUT's capabilities.
The Lanczos and conjugate gradient (CG) algorithms are fascinating numerical algorithms. This book presents the most comprehensive discussion to date of the use of these methods for computing eigenvalues and solving linear systems in both exact and floating point arithmetic. The author synthesizes the research done over the past 30 years, describing and explaining the "average" behavior of these methods and providing new insight into their properties in finite precision. Many examples are given that show significant results obtained by researchers in the field. The author emphasizes how both algorithms can be used efficiently in finite precision arithmetic, regardless of the growth of rounding errors that occurs. He details the mathematical properties of both algorithms and demonstrates how the CG algorithm is derived from the Lanczos algorithm. Loss of orthogonality involved with using the Lanczos algorithm, ways to improve the maximum attainable accuracy of CG computations, and what modifications need to be made when the CG method is used with a preconditioner are addressed.
Performance Optimization of Numerically Intensive Codes offers a comprehensive, tutorial-style, hands-on, introductory and intermediate-level treatment of all the essential ingredients for achieving high performance in numerical computations on modern computers. The authors explain computer architectures, data traffic and issues related to performance of serial and parallel code optimization exemplified by actual programs written for algorithms of wide interest. The unique hands-on style is achieved by extensive case studies using realistic computational problems. The performance gain obtained by applying the techniques described in this book can be very significant. The book bridges the gap between the literature in system architecture, the one in numerical methods and the occasional descriptions of optimization topics in computer vendors' literature. It also allows readers to better judge the suitability of certain computer architecture to their computational requirements. In contrast to standard textbooks on computer architecture and on programming techniques the book treats these topics together at the level necessary for writing high-performance programs. The book facilitates easy access to these topics for computational scientists and engineers mainly interested in practical issues related to efficient code development.
Scientific computing has often been called the third approach to scientific discovery, emerging as a peer to experimentation and theory. Historically, the synergy between experimentation and theory has been well understood: experiments give insight into possible theories, theories inspire experiments, experiments reinforce or invalidate theories, and so on. As scientific computing has evolved to produce results that meet or exceed the quality of experimental and theoretical results, it has become indispensable.Parallel processing has been an enabling technology in scientific computing for more than 20 years. This book is the first in-depth discussion of parallel computing in 10 years; it reflects the mix of topics that mathematicians, computer scientists, and computational scientists focus on to make parallel processing effective for scientific problems. Presently, the impact of parallel processing on scientific computing varies greatly across disciplines, but it plays a vital role in most problem domains and is absolutely essential in many of them. Parallel Processing for Scientific Computing is divided into four parts: The first concerns performance modeling, analysis, and optimization; the second focuses on parallel algorithms and software for an array of problems common to many modeling and simulation applications; the third emphasizes tools and environments that can ease and enhance the process of application development; and the fourth provides a sampling of applications that require parallel computing for scaling to solve larger and realistic models that can advance science and engineering. This edited volume serves as an up-to-date reference for researchers and application developers on the state of the art in scientific computing. It also serves as an excellent overview and introduction, especially for graduate and senior-level undergraduate students interested in computational modeling and simulation and related computer science and applied mathematics aspects.Contents List of Figures; List of Tables; Preface; Chapter 1: Frontiers of Scientific Computing: An Overview; Part I: Performance Modeling, Analysis and Optimization. Chapter 2: Performance Analysis: From Art to Science; Chapter 3: Approaches to Architecture-Aware Parallel Scientific Computation; Chapter 4: Achieving High Performance on the BlueGene/L Supercomputer; Chapter 5: Performance Evaluation and Modeling of Ultra-Scale Systems; Part II: Parallel Algorithms and Enabling Technologies. Chapter 6: Partitioning and Load Balancing; Chapter 7: Combinatorial Parallel and Scientific Computing; Chapter 8: Parallel Adaptive Mesh Refinement; Chapter 9: Parallel Sparse Solvers, Preconditioners, and Their Applications; Chapter 10: A Survey of Parallelization Techniques for Multigrid Solvers; Chapter 11: Fault Tolerance in Large-Scale Scientific Computing; Part III: Tools and Frameworks for Parallel Applications. Chapter 12: Parallel Tools and Environments: A Survey; Chapter 13: Parallel Linear Algebra Software; Chapter 14: High-Performance Component Software Systems; Chapter 15: Integrating Component-Based Scientific Computing Software; Part IV: Applications of Parallel Computing. Chapter 16: Parallel Algorithms for PDE-Constrained Optimization; Chapter 17: Massively Parallel Mixed-Integer Programming; Chapter 18: Parallel Methods and Software for Multicomponent Simulations; Chapter 19: Parallel Computational Biology; Chapter 20: Opportunities and Challenges for Parallel Computing in Science and Engineering; Index.
