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Title: Acceleration of Le Bail fitting method on parallel platforms (English)
Author: Mařík, Ondřej
Author: Šimeček, Ivan
Language: English
Journal: Programs and Algorithms of Numerical Mathematics
Volume: Proceedings of Seminar. Dolní Maxov, June 8-13, 2014
Issue: 2014
Pages: 136-141
Category: math
Summary: Le Bail fitting method is procedure used in the applied crystallography mainly during the crystal structure determination. As in many other applications, there is a need for a great performance and short execution time. In this paper, we describe utilization of parallel computing for mathematical operations used in Le Bail fitting. We present an algorithm implementing this method with highlighted possible approaches to its aforementioned parallelization. Then, we propose a sample parallel version using the OpenMP API and its performance results on the real multithreaded system. Further potential for the massive parallelization is also discussed. (English)
Keyword: Le Bail fitting
Keyword: applied crystallography
Keyword: nonlinear least squares
Keyword: parallel computing
Keyword: OpenMP
MSC: 65D10
MSC: 68-04
MSC: 68W10
MSC: 92-04
Date available: 2015-04-20T06:13:51Z
Last updated: 2015-04-20
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