科技报告详细信息
Accelerating Full Configuration Interaction Calculations for Nuclear Structure.
Yang, C. ; Sternberg, P. ; Maris, P. ; Ng, E. ; Sosonkina, M.
Technical Information Center Oak Ridge Tennessee
关键词: Algorithms;    Computers;    Configuration interaction;    Design;    Efficiency;   
RP-ID  :  DE2008935323
学科分类:工程和技术(综合)
美国|英语
来源: National Technical Reports Library
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【 摘 要 】

One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and corresponding eigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions.

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