Accelerating configuration interaction calculations for nuclear structure
Accelerating configuration interaction calculations for nuclear structure
复制标题
加速核结构构型相互作用计算
DOI：
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
H. Le
中科院分区：
文献类型：
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作者：
P. Sternberg;E. Ng;Chao Yang;P. Maris;J. Vary;M. Sosonkina;H. Le
组态相互作用（CI）方法是核物理中新兴的计算方法之一，用于在足够大的单粒子基空间中求解多体核哈密顿量，以获得精确的答案-直接或通过外推。最低的特征值和相应的特征向量非常大，稀疏和非结构化的核哈密顿矩阵获得和用于评估额外的实验量。这些矩阵构成了一个重大的挑战，设计和实现的高效和可扩展的算法，获得大规模并行计算机系统的解决方案。在本文中，我们描述了一个国家的最先进的CI代码MFDn（许多费米子动力学-核），以及我们最近开发的技术，以提高计算效率的MFDn的计算策略。我们将展示MFDn的当前能力，并报告我们已经实现的最新性能改进。我们还将概述我们未来的研究方向。
One of the emerging computational approaches in nuclear physics is the configuration interaction (CI) 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 CI 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.