Download or read book Reviews in Computational Chemistry Volume 6 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 502 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 6 of the successful series 'Reviews in Computational Chemistry' contains articles of interest to pharmaceutical chemists, biological chemists, chemical engineers, inorganic and organometallic chemists, synthetic organic chemists, polymer chemists, and theoretical chemists. The series is designed to help the chemistry community keep current with the many new developments in computational techniques. The writing style is refreshingly pedagogical and non-mathematical, allowing students and researchers access to computational methods outside their immediate area of expertise.
Download or read book LAPACK Working Note 60 written by James W. Demmel and published by . This book was released on 1993 with total page 92 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: "We survey general techniques and open problems in numerical linear algebra on parallel architectures. We first discuss basic principles of parallel processing, describing the costs of basic operations on parallel machines, including general principles for constructing efficient algorithms. We illustrate these principles using current architectures and software systems, and by showing how one would implement matrix multiplication. Then, we present direct and iterative algorithms for solving linear systems of equations, linear least squares problems, the symmetric eigenvalue problem, the nonsymmetric eigenvalue problem, and the singular value decomposition. We consider dense, band and sparse matrices."
Download or read book LAPACK Users Guide written by E. Anderson and published by Society for Industrial and Applied Mathematics (SIAM). This book was released on 1995 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematics of Computing -- Numerical Analysis.
Download or read book ScaLAPACK Users Guide written by L. S. Blackford and published by SIAM. This book was released on 1997-01-01 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: ScaLAPACK is an acronym for Scalable Linear Algebra Package or Scalable LAPACK. It is a library of high-performance linear algebra routines for distributed memory message-passing MIMD computers and networks of workstations supporting parallel virtual machine (PVM) and/or message passing interface (MPI). It is a continuation of the LAPACK project, which designed and produced analogous software for workstations, vector supercomputers, and shared memory parallel computers. Both libraries contain routines for solving systems of linear equations, least squares problems, and eigenvalue problems. The goals of both projects are efficiency, scalability, reliability, portability, flexibility, and ease of use. ScaLAPACK includes routines for the solution of dense, band, and tridiagonal linear systems of equations, condition estimation and iterative refinement, for LU and Cholesky factorization, matrix inversion, full-rank linear least squares problems, orthogonal and generalized orthogonal factorizations, orthogonal transformation routines, reductions to upper Hessenberg, bidiagonal and tridiagonal form, reduction of a symmetric-definite/ Hermitian-definite generalized eigenproblem to standard form, the symmetric/Hermitian, generalized symmetric/Hermitian, and nonsymmetric eigenproblem, and the singular value decomposition. Prototype codes are provided for out-of-core linear solvers for LU, Cholesky, and QR, the matrix sign function for eigenproblems, an HPF interface to a subset of ScaLAPACK routines, and SuperLU. Software is available in single-precision real, double-precision real, single-precision complex, and double-precision complex. The software has been written to be portable across a wide range of distributed-memory environments such as the Cray T3, IBM SP, Intel series, TM CM-5, networks of workstations, and any system for which PVM or MPI is available. Each Users' Guide includes a CD-ROM containing the HTML version of the ScaLAPACK Users' Guide, the source code for ScaLAPACK and LAPACK, testing and timing programs, prebuilt versions of the library for a number of computers, example programs, and the full set of LAPACK Working Notes.
Download or read book LAPACK Working Note written by and published by . This book was released on 1993 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Parallel Virtual Machine EuroPVM 96 written by Arndt Bode and published by Springer Science & Business Media. This book was released on 1996-09-25 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the refereed proceedings of the Third European Conference on the Parallel Virtual Machine, EuroPVM '96, the 1996 European PVM users' group meeting, held in Munich, Germany, in October 1996. The parallel virtual machine, PVM, was developed at the University of Tennessee and Oak Ridge National Laboratory in cooperation with Emory University and Carnegie Mellon University to support distributed computing. This volume comprises 51 revised full contributions devoted to PVM. The papers are organized in topical sections on evaluation of PVM; Applications: CFD solvers; tools for PVM; non-numerical applications; extensions to PVM; etc.
Download or read book Accuracy and Stability of Numerical Algorithms written by Nicholas J. Higham and published by SIAM. This book was released on 2002-01-01 with total page 710 pages. Available in PDF, EPUB and Kindle. Book excerpt: Accuracy and Stability of Numerical Algorithms gives a thorough, up-to-date treatment of the behavior of numerical algorithms in finite precision arithmetic. It combines algorithmic derivations, perturbation theory, and rounding error analysis, all enlivened by historical perspective and informative quotations. This second edition expands and updates the coverage of the first edition (1996) and includes numerous improvements to the original material. Two new chapters treat symmetric indefinite systems and skew-symmetric systems, and nonlinear systems and Newton's method. Twelve new sections include coverage of additional error bounds for Gaussian elimination, rank revealing LU factorizations, weighted and constrained least squares problems, and the fused multiply-add operation found on some modern computer architectures.
Download or read book Handbook of Parallel Computing and Statistics written by Erricos John Kontoghiorghes and published by CRC Press. This book was released on 2005-12-21 with total page 560 pages. Available in PDF, EPUB and Kindle. Book excerpt: Technological improvements continue to push back the frontier of processor speed in modern computers. Unfortunately, the computational intensity demanded by modern research problems grows even faster. Parallel computing has emerged as the most successful bridge to this computational gap, and many popular solutions have emerged based on its concepts
Download or read book Applied Numerical Linear Algebra written by James W. Demmel and published by SIAM. This book was released on 1997-01-01 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed for use by first-year graduate students from a variety of engineering and scientific disciplines, this comprehensive textbook covers the solution of linear systems, least squares problems, eigenvalue problems, and the singular value decomposition. The author, who helped design the widely-used LAPACK and ScaLAPACK linear algebra libraries, draws on this experience to present state-of-the-art techniques for these problems, including recommendations of which algorithms to use in a variety of practical situations. Algorithms are derived in a mathematically illuminating way, including condition numbers and error bounds. Direct and iterative algorithms, suitable for dense and sparse matrices, are discussed. Algorithm design for modern computer architectures, where moving data is often more expensive than arithmetic operations, is discussed in detail, using LAPACK as an illustration. There are many numerical examples throughout the text and in the problems at the ends of chapters, most of which are written in Matlab and are freely available on the Web. Demmel discusses several current research topics, making students aware of both the lively research taking place and connections to other parts of numerical analysis, mathematics, and computer science. Some of this material is developed in questions at the end of each chapter, which are marked Easy, Medium, or Hard according to their difficulty. Some questions are straightforward, supplying proofs of lemmas used in the text. Others are more difficult theoretical or computing problems. Questions involving significant amounts of programming are marked Programming. The computing questions mainly involve Matlab programming, and others involve retrieving, using, and perhaps modifying LAPACK code from NETLIB.
Download or read book Space Filling Curves written by Michael Bader and published by Springer Science & Business Media. This book was released on 2012-10-13 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present book provides an introduction to using space-filling curves (SFC) as tools in scientific computing. Special focus is laid on the representation of SFC and on resulting algorithms. For example, grammar-based techniques are introduced for traversals of Cartesian and octree-type meshes, and arithmetisation of SFC is explained to compute SFC mappings and indexings. The locality properties of SFC are discussed in detail, together with their importance for algorithms. Templates for parallelisation and cache-efficient algorithms are presented to reflect the most important applications of SFC in scientific computing. Special attention is also given to the interplay of adaptive mesh refinement and SFC, including the structured refinement of triangular and tetrahedral grids. For each topic, a short overview is given on the most important publications and recent research activities.
Download or read book Defence Science Journal written by and published by . This book was released on 2004 with total page 618 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Robust Algebraic Multilevel Methods and Algorithms written by Johannes Kraus and published by Walter de Gruyter. This book was released on 2009-09-04 with total page 257 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book deals with algorithms for the solution of linear systems of algebraic equations with large-scale sparse matrices, with a focus on problems that are obtained after discretization of partial differential equations using finite element methods. The authors provide a systematic presentation of the recent advances in robust algebraic multilevel methods and algorithms, e.g., the preconditioned conjugate gradient method, algebraic multilevel iteration (AMLI) preconditioners, the classical algebraic multigrid (AMG) method and its recent modifications, namely AMG using element interpolation (AMGe) and AMG based on smoothed aggregation. The first six chapters can serve as a short introductory course on the theory of AMLI methods and algorithms. The next part of the monograph is devoted to more advanced topics, including the description of new generation AMG methods, AMLI methods for discontinuous Galerkin systems, looking-free algorithms for coupled problems etc., ending with important practical issues of implementation and challenging applications. This second part is addressed to some more experienced students and practitioners and can be used to complete a more advanced course on robust AMLI and AMG methods and their efficient application. This book is intended for mathematicians, engineers, natural scientists etc.
Download or read book Templates for the Solution of Linear Systems written by Richard Barrett and published by SIAM. This book was released on 1994-01-01 with total page 130 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematics of Computing -- Numerical Analysis.
Download or read book LAPACK Working Note 18 written by Edward Anderson and published by . This book was released on 1990 with total page 71 pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: "This working note describes how to install and test the second test release of LAPACK. Separate instructions are provided for the Unix and non-Unix versions of the test package. Further details are also given on the design of the test and timing programs. This document supersedes LAPACK Working Note 10, the implementation guide for the first test release."
Download or read book High Performance Computational Geomechanics and Its Application on Soil structure interaction Problems written by Guanzhou Jie and published by . This book was released on 2007 with total page 792 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second part of the PhD dissertation is devoted to the issue of parallel equation solving in large scale finite element simulations. The efficiency of projection-based iterative solvers and some popular direct solvers is investigated using equation systems extracted from SFSI simulations. Complete parallel implementation has been developed within OpenSees using the consistent PETSc interface.
Download or read book Linear Fractional Programming Theory Methods Applications and Software written by E.B. Bajalinov and published by Springer Science & Business Media. This book was released on 2013-12-01 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a book on Linear-Fractional Programming (here and in what follows we will refer to it as "LFP"). The field of LFP, largely developed by Hungarian mathematician B. Martos and his associates in the 1960's, is concerned with problems of op timization. LFP problems deal with determining the best possible allo cation of available resources to meet certain specifications. In particular, they may deal with situations where a number of resources, such as people, materials, machines, and land, are available and are to be combined to yield several products. In linear-fractional programming, the goal is to determine a per missible allocation of resources that will maximize or minimize some specific showing, such as profit gained per unit of cost, or cost of unit of product produced, etc. Strictly speaking, linear-fractional programming is a special case of the broader field of Mathematical Programming. LFP deals with that class of mathematical programming problems in which the relations among the variables are linear: the con straint relations (i.e. the restrictions) must be in linear form and the function to be optimized (i.e. the objective function) must be a ratio of two linear functions.
Download or read book A Practical Programming Model for the Multi Core Era written by Barbara Chapman and published by Springer Science & Business Media. This book was released on 2008-06-11 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book constitutes the thoroughly refereed post-workshop proceedings of the Third International Workshop on OpenMP, IWOMP 2007, held in Beijing, China, in June 2007. The 14 revised full papers and 8 revised short papers presented were carefully reviewed and selected from 28 submissions. The papers address all topics related to OpenMP, such as OpenMP performance analysis and modeling, OpenMP performance and correctness tools and proposed OpenMP extensions, as well as applications in various domains, e.g., scientific computation, video games, computer graphics, multimedia, information retrieval, optimization, text processing, data mining, finance, signal and image processing, and numerical solvers.
