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Tobias Weinzierl - Principles of Parallel Scientific Computing: A First Guide to Numerical Concepts and Programming Methods (Undergraduate Topics in Computer Science)

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Tobias Weinzierl Principles of Parallel Scientific Computing: A First Guide to Numerical Concepts and Programming Methods (Undergraduate Topics in Computer Science)
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New insight in many scientific and engineering fields is unthinkable without the use of numerical simulations running efficiently on modern computers. The faster we get new results, the bigger and accurate are the problems that we can solve. It is the combination of mathematical ideas plus efficient programming that drives the progress in many disciplines. Future champions in the area thus will have to be qualified in their application domain, they will need a profound understanding of some mathematical ideas, and they need the skills to deliver fast code.

The present textbook targets students which have programming skills already and do not shy away from mathematics, though they might be educated in computer science or an application domain. It introduces the basic concepts and ideas behind applied mathematics and parallel programming that we need to write numerical simulations for todays multicore workstations. Our intention is not to dive into one particular application domain or to introduce a new programming language we lay the generic foundations for future courses and projects in the area.

The text is written in an accessible style which is easy to digest for students without years and years of mathematics education. It values clarity and intuition over formalism, and uses a simple N-body simulation setup to illustrate basic ideas that are of relevance in various different subdomains of scientific computing. Its primary goal is to make theoretical and paradigmatic ideas accessible to undergraduate students and to bring the fascination of the field across.

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Book cover of Principles of Parallel Scientific Computing Undergraduate - photo 1
Book cover of Principles of Parallel Scientific Computing
Undergraduate Topics in Computer Science
Series Editor
Ian Mackie
University of Sussex, Brighton, UK
Advisory Editors
Samson Abramsky
Department of Computer Science, University of Oxford, Oxford, UK
Chris Hankin
Department of Computing, Imperial College London, London, UK
Mike Hinchey
Lero The Irish Software Research Centre, University of Limerick, Limerick, Ireland
Dexter C. Kozen
Department of Computer Science, Cornell University, Ithaca, NY, USA
Andrew Pitts
Department of Computer Science and Technology, University of Cambridge, Cambridge, UK
Hanne Riis Nielson
Department of Applied Mathematics and Computer Science, Technical University of Denmark, Kongens Lyngby, Denmark
Steven S. Skiena
Department of Computer Science, Stony Brook University, Stony Brook, NY, USA
Iain Stewart
Department of Computer Science, Durham University, Durham, UK

Undergraduate Topics in Computer Science (UTiCS) delivers high-quality instructional content for undergraduates studying in all areas of computing and information science. From core foundational and theoretical material to final-year topics and applications, UTiCS books take a fresh, concise, and modern approach and are ideal for self-study or for a one- or two-semester course. The texts are all authored by established experts in their fields, reviewed by an international advisory board, and contain numerous examples and problems, many of which include fully worked solutions.

The UTiCS concept relies on high-quality, concise books in softback format, and generally a maximum of 275300 pages. For undergraduate textbooks that are likely to be longer, more expository, Springer continues to offer the highly regarded Texts in Computer Science series, to which we refer potential authors.

More information about this series at https://link.springer.com/bookseries/7592

Tobias Weinzierl
Principles of Parallel Scientific Computing
A First Guide to Numerical Concepts and Programming Methods
Logo of the publisher Tobias Weinzierl Department of Computer Science - photo 2
Logo of the publisher
Tobias Weinzierl
Department of Computer Science, Durham University, Durham, UK
ISSN 1863-7310 e-ISSN 2197-1781
Undergraduate Topics in Computer Science
ISBN 978-3-030-76193-6 e-ISBN 978-3-030-76194-3
https://doi.org/10.1007/978-3-030-76194-3
The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerland AG 2021
This work is subject to copyright. All rights are solely and exclusively licensed by the Publisher, whether the whole or part of the material is concerned, specifically the rights of translation, reprinting, reuse of illustrations, recitation, broadcasting, reproduction on microfilms or in any other physical way, and transmission or information storage and retrieval, electronic adaptation, computer software, or by similar or dissimilar methodology now known or hereafter developed.
The use of general descriptive names, registered names, trademarks, service marks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use.
The publisher, the authors and the editors are safe to assume that the advice and information in this book are believed to be true and accurate at the date of publication. Neither the publisher nor the authors or the editors give a warranty, expressed or implied, with respect to the material contained herein or for any errors or omissions that may have been made. The publisher remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

This Springer imprint is published by the registered company Springer Nature Switzerland AG

The registered company address is: Gewerbestrasse 11, 6330 Cham, Switzerland

Preface
Why This Book

I started to think about this manuscript when I got appointed as Associate Professor at Durham University and had been told to read numerical algorithms for computer scientists plus the parallel programming submodule. In Durham, we teach this first submodule on numerics in the third year of the computer science degree. It spans only ten hours. Ten hours is ridiculously short, but I think it is enough to spark interest in simulation codes and the simulation business. Thinking about it, it is great that our numerics teaching runs parallel to a parallel programming course. Numerical simulation without parallelism today is barely imaginable, so this arrangement gives us the great opportunity to use examples from one area in the other one. We can co-teach the two things: numerics basics and parallel coding.

When we later designed our Master in Scientific Computing and Data Analysis (MISCADA), it became clear that co-teaching the two fields would be a good idea for this course, too. With a very heterogeneous student intakeboth by means of qualification, cultural background, educational system, and discipline interestwe need to run introductory courses that bring all students quickly to a decent level, while numerical principles as well as parallel programming are omnipresent. Obviously, the M.Sc.-level teaching progresses at a different pace and, in Durham, also covers more lectures. Yet, some content overlaps with the third years course.

There seems to be a limited amount of literature that discusses parallel programming and (the basics of) numerical techniques in one go and still remains easily accessible. There are many books that cover scientific computing from a mathematics point of view. Many scientists (including me) insist that a formal approach with a strong mathematical background is imperative for research in scientific computing. However, we have to appreciate that many of our undergrads are enrolled in courses that are lighter on the mathematics side or focus, for example, more on discrete maths. Some maths thus might be a little bit rusty when students enter their third year. Our mathematical textbooks run the risk that we lose out on students if they orbit around the profound maths first. They might get bored before they reach the point where they can program a first numerical code that does something useful.

The other type of teaching literature that is out there combines the first course in numerics with a programming tutorial. Although a lot of the material I have seen is really good, this type of approach is ill-suited for our students. Most of them are decent programmers already.

To make a long story short, I think that there is a need for courses on numerics with a rolling up your sleeves and get the rough idea and make it work in code attitude. Some students like to get their hands dirty and write something that does something before they start to dive into more detailsfor which excellent literature does exist. I am also strongly convinced that it makes sense to teach introductory scientific computing in combination with parallelisation. After all, we want to have future Ph.D. students and colleagues who can help us with the big simulation codes.

Mission Statement
Since we try to keep the theory light and hands-on, this book is not a comprehensive overview of the vast field of numerical algorithms and analysis, or even only a certain subfield. It neither is a rock solid introduction to the difficulties, pitfalls and depths of programming in high performance computing (HPC). It is
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