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The art of high performance computin...

Geshi, Masaaki.

The art of high performance computing for computational science.Vol. 2,Advanced techniques and examples for materials science

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	The art of high performance computing for computational science.edited by Masaaki Geshi.
其他題名:	Advanced techniques and examples for materials science
其他作者:	Geshi, Masaaki.
出版者:	Singapore :Springer Singapore :2019.
面頁冊數:	ix, 206 p. :ill., digital ;24 cm.
Contained By:	Springer eBooks
標題:	High performance computing.
電子資源:	https://doi.org/10.1007/978-981-13-9802-5
ISBN:	9789811398025$q(electronic bk.)

The 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,Advanced techniques and examples for materials science[electronic resource] /Advanced techniques and examples for materials scienceedited by Masaaki Geshi. - Singapore :Springer Singapore :2019. - ix, 206 p. :ill., digital ;24 cm.

Chapter 1: Supercomputers and application performance -- Chapter 2: Performance optimization of applications -- Chapter 3: Case studies of performance optimization of applications -- Chapter 4: O(N) methods -- Chapter 5: Acceleration of Classical Molecular Dynamics Simulations -- Chapter 6: Large scale quantum chemical calculation.

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 computational sciences such as physics, chemistry, biology, earth sciences, space science, weather, disaster prevention and manufacturing, as well as for anyone using those software codes. Chapter 1 outlines supercomputers and includes a brief explanation of the history of hardware. Chapter 2 presents procedures for performance evaluation, while Chapter 3 describes the set of tuned applications in materials science, nanoscience and nanotechnology, earth science and engineering on the K computer. Introducing the order-N method, based on density functional theory (DFT) calculation, Chapter 4 explains how to extend the applicability of DFT to large-scale systems by reducing the computational complexity. Chapter 5 discusses acceleration and parallelization in classical molecular dynamics simulations, and lastly, Chapter 6 explains techniques for large-scale quantum chemical calculations, including the order-N method. This is the second of the two volumes that grew out of a series of lectures in the K computer project in Japan. The first volume addresses more basic techniques, and this second volume focuses on advanced and concrete techniques.

ISBN: 9789811398025$q(electronic bk.)

Standard No.: 10.1007/978-981-13-9802-5doiSubjects--Topical Terms:

211079
High performance computing.

LC Class. No.: QA76.88 / .A77 2019

Dewey Class. No.: 004.11

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