The Distributed Data Interface in GAMESS

被引:124
作者
Fletcher, GD [1 ]
Schmidt, MW
Bode, BM
Gordon, MS
机构
[1] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA
[2] Iowa State Univ, Dept Chem, Ames, IA 50011 USA
[3] US DOE, Ames Lab, Scalable Comp Lab, Ames, IA 50011 USA
基金
美国能源部;
关键词
D O I
10.1016/S0010-4655(00)00073-4
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
The Distributed Data Interface to permit storage of large data arrays in the aggregate memory of distributed memory, message passing computer systems is described. The design of this relatively small library is discussed, in regard to its implementation over SHMEM, MPI-1. or socket based message libraries. The good performance of a MP2 program using DDI is demonstrated on both PC and workstation cluster computers, and some details of the resulting message traffic are presented. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:190 / 200
页数:11
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