The Art of High Performance Computing for Computational Science, Vol. 2

This book presents advanced and practical techniques for performance optimization for highly parallel processing. Featuring various parallelization techniques in material science, it is a valuable resource for anyone developing software codes for computat

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e Art of High Performance Computing for Computational Science, Vol. 2 Advanced Techniques and Examples for Materials Science

The Art of High Performance Computing for Computational Science, Vol. 2

Masaaki Geshi Editor

The Art of High Performance Computing for Computational Science, Vol. 2 Advanced Techniques and Examples for Materials Science

123

Editor Masaaki Geshi Osaka University Toyonaka, Japan

ISBN 978-981-13-9801-8 ISBN 978-981-13-9802-5 https://doi.org/10.1007/978-981-13-9802-5

(eBook)

© Springer Nature Singapore Pte Ltd. 2019 This work is subject to copyright. All rights are reserved 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 Singapore Pte Ltd. The registered company address is: 152 Beach Road, #21-01/04 Gateway East, Singapore 189721, Singapore

Preface

This is the second of two volumes that are written about the basics of parallelization, the foundation of numerical analysis, and related techniques. Even if it is mentioned as a foundation, we do not assume a novice here completely in this field, so if you would like to know from the beginning of programming, you should learn from another book suitable for that. For readers, those who have learned physics, chemistry, biology (earth sciences, space science, weather, disaster prevention, manufacturing, etc.) are assumed. Furthermore, we assume those who use numerical calculation and simulation as research methods. In particular, we assume those who develop software code. Many of them have not learned systematically about programming and numerical calculation, but from the information science experts, many parts are included as contents of the undergraduate level. This Volume 2 includes advanced techniques based on concrete applications of software applications for several fields, in particular, the field of materials science. Chapter 1 outlines supercomputers including a br