The distributed data SCF
The distributed data SCF
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DOI：
10.1016/s0010-4655(01)00439-8
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发表时间：
2002-02-01
影响因子：
6.3
通讯作者：
Gordon, MS
中科院分区：
文献类型：
--
作者：
Alexeev, Y;Kendall, RA;Gordon, MS
本文描述了一种分布式数据并行SCF算法。该算法的显著特点是：(a)密度列和Fock矩阵在处理器之间均匀分布；(b)采用两两动态负载均衡实现出色的负载均衡；(c)通过仔细分析SCF算法中的数据流，使网络通信时间最小化。所建立的性能模型和基准测试结果表明分布式数据SCF算法具有良好的性能。(C) 2002 Elsevier Science B.V.版权所有
This paper describes a distributed data parallel SCF algorithm. The distinguishing features of this algorithm are: (a) columns of density and Fock matrices are distributed evenly among processors, (b) pair-wise dynamic load balancing is developed to achieve excellent load balance, (c) network communication time is minimized via careful analysis of data flow in the SCF algorithm. The developed performance models and benchmarking results illustrate good performance of the distributed data SCF algorithm. (C) 2002 Elsevier Science B.V. All rights reserved.