Scientific Software Design


Book Description

The authors analyze how the structure of a package determines its developmental complexity according to such measures as bug search times and documentation information content. The work presents arguments for why these issues impact solution cost and time more than does scalable performance. The final chapter explores the question of scalable execution and shows how scalable design relates to scalable execution. The book's focus is on program organization, which has received considerable attention in the broader software engineering community, where graphical description standards for modeling software structure and behavior have been developed by computer scientists. These discussions might be enriched by engineers who write scientific codes. This book aims to bring such scientific programmers into discussion with computer scientists. The authors do so by introducing object-oriented software design patterns in the context of scientific simulation.




Scientific Software Design


Book Description

This book concerns software design. Although many current discussions of scientific programming focus on scalable performance, this book focuses on scalable design. The authors analyze how the structure of a package determines its developmental complexity according to such measures as bug search times and documentation information content. The work presents arguments for why these issues impact solution cost and time more than does scalable performance. The final chapter explores the question of scalable execution and shows how scalable design relates to scalable execution. The book's focus is on program organization, which has received considerable attention in the broader software engineering community, where graphical description standards for modeling software structure and behavior have been developed by computer scientists. These discussions might be enriched by engineers who write scientific codes. This book aims to bring such scientific programmers into discussion with computer scientists. The authors do so by introducing object-oriented software design patterns in the context of scientific simulation.




Writing Scientific Software


Book Description

The core of scientific computing is designing, writing, testing, debugging and modifying numerical software for application to a vast range of areas: from graphics, meteorology and chemistry to engineering, biology and finance. Scientists, engineers and computer scientists need to write good code, for speed, clarity, flexibility and ease of re-use. Oliveira and Stewart's style guide for numerical software points out good practices to follow, and pitfalls to avoid. By following their advice, readers will learn how to write efficient software, and how to test it for bugs, accuracy and performance. Techniques are explained with a variety of programming languages, and illustrated with two extensive design examples, one in Fortran 90 and one in C++: other examples in C, C++, Fortran 90 and Java are scattered throughout the book. This manual of scientific computing style will be an essential addition to the bookshelf and lab of everyone who writes numerical software.




Scientific Programming and Computer Architecture


Book Description

A variety of programming models relevant to scientists explained, with an emphasis on how programming constructs map to parts of the computer. What makes computer programs fast or slow? To answer this question, we have to get behind the abstractions of programming languages and look at how a computer really works. This book examines and explains a variety of scientific programming models (programming models relevant to scientists) with an emphasis on how programming constructs map to different parts of the computer's architecture. Two themes emerge: program speed and program modularity. Throughout this book, the premise is to "get under the hood," and the discussion is tied to specific programs. The book digs into linkers, compilers, operating systems, and computer architecture to understand how the different parts of the computer interact with programs. It begins with a review of C/C++ and explanations of how libraries, linkers, and Makefiles work. Programming models covered include Pthreads, OpenMP, MPI, TCP/IP, and CUDA.The emphasis on how computers work leads the reader into computer architecture and occasionally into the operating system kernel. The operating system studied is Linux, the preferred platform for scientific computing. Linux is also open source, which allows users to peer into its inner workings. A brief appendix provides a useful table of machines used to time programs. The book's website (https://github.com/divakarvi/bk-spca) has all the programs described in the book as well as a link to the html text.




Design Science Methodology for Information Systems and Software Engineering


Book Description

This book provides guidelines for practicing design science in the fields of information systems and software engineering research. A design process usually iterates over two activities: first designing an artifact that improves something for stakeholders and subsequently empirically investigating the performance of that artifact in its context. This “validation in context” is a key feature of the book - since an artifact is designed for a context, it should also be validated in this context. The book is divided into five parts. Part I discusses the fundamental nature of design science and its artifacts, as well as related design research questions and goals. Part II deals with the design cycle, i.e. the creation, design and validation of artifacts based on requirements and stakeholder goals. To elaborate this further, Part III presents the role of conceptual frameworks and theories in design science. Part IV continues with the empirical cycle to investigate artifacts in context, and presents the different elements of research problem analysis, research setup and data analysis. Finally, Part V deals with the practical application of the empirical cycle by presenting in detail various research methods, including observational case studies, case-based and sample-based experiments and technical action research. These main sections are complemented by two generic checklists, one for the design cycle and one for the empirical cycle. The book is written for students as well as academic and industrial researchers in software engineering or information systems. It provides guidelines on how to effectively structure research goals, how to analyze research problems concerning design goals and knowledge questions, how to validate artifact designs and how to empirically investigate artifacts in context – and finally how to present the results of the design cycle as a whole.




Python for Software Design


Book Description

Python for Software Design is a concise introduction to software design using the Python programming language. The focus is on the programming process, with special emphasis on debugging. The book includes a wide range of exercises, from short examples to substantial projects, so that students have ample opportunity to practice each new concept.




Software Engineering for Science


Book Description

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 Editors Jeffrey 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.




Modern Software Tools for Scientific Computing


Book Description

The purpose of this book is to survey some recent advances in the development of software tools for scientific computing. This book presents 17 carefully selected and refereed chapters originally presented at the SciTools '96 Workshop in Oslo, Norway. The chapters emphasize the design of large software codes, computational efficiency, object-oriented programming in scientific computing, reliability of numerical software, and parallel computing.




A Primer on Scientific Programming with Python


Book Description

The book serves as a first introduction to computer programming of scientific applications, using the high-level Python language. The exposition is example and problem-oriented, where the applications are taken from mathematics, numerical calculus, statistics, physics, biology and finance. The book teaches "Matlab-style" and procedural programming as well as object-oriented programming. High school mathematics is a required background and it is advantageous to study classical and numerical one-variable calculus in parallel with reading this book. Besides learning how to program computers, the reader will also learn how to solve mathematical problems, arising in various branches of science and engineering, with the aid of numerical methods and programming. By blending programming, mathematics and scientific applications, the book lays a solid foundation for practicing computational science. From the reviews: Langtangen ... does an excellent job of introducing programming as a set of skills in problem solving. He guides the reader into thinking properly about producing program logic and data structures for modeling real-world problems using objects and functions and embracing the object-oriented paradigm. ... Summing Up: Highly recommended. F. H. Wild III, Choice, Vol. 47 (8), April 2010 Those of us who have learned scientific programming in Python ‘on the streets’ could be a little jealous of students who have the opportunity to take a course out of Langtangen’s Primer.” John D. Cook, The Mathematical Association of America, September 2011 This book goes through Python in particular, and programming in general, via tasks that scientists will likely perform. It contains valuable information for students new to scientific computing and would be the perfect bridge between an introduction to programming and an advanced course on numerical methods or computational science. Alex Small, IEEE, CiSE Vol. 14 (2), March /April 2012 “This fourth edition is a wonderful, inclusive textbook that covers pretty much everything one needs to know to go from zero to fairly sophisticated scientific programming in Python...” Joan Horvath, Computing Reviews, March 2015




Software Design and Development: Concepts, Methodologies, Tools, and Applications


Book Description

Innovative tools and techniques for the development and design of software systems are essential to the problem solving and planning of software solutions. Software Design and Development: Concepts, Methodologies, Tools, and Applications brings together the best practices of theory and implementation in the development of software systems. This reference source is essential for researchers, engineers, practitioners, and scholars seeking the latest knowledge on the techniques, applications, and methodologies for the design and development of software systems.