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Title: The Distributed Data Interface in GAMESS

Abstract

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.

Authors:
; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab., Richland, WA (US), Environmental Molecular Sciences Laboratory (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
15010445
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Computer Physics Communications
Additional Journal Information:
Journal Volume: 128; Journal Issue: 1-2; Other Information: PBD: 1 Jun 2000; Journal ID: ISSN 0010-4655
Country of Publication:
United States
Language:
English
Subject:
99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; DESIGN; IMPLEMENTATION; PERFORMANCE; MEMORY DEVICES; DATA TRANSMISSION; ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY

Citation Formats

Fletcher, Graham D., Schmidt, Michael W., Bode, Brett, and Gordon, Mark S. The Distributed Data Interface in GAMESS. United States: N. p., 2000. Web. doi:10.1016/S0010-4655(00)00073-4.
Fletcher, Graham D., Schmidt, Michael W., Bode, Brett, & Gordon, Mark S. The Distributed Data Interface in GAMESS. United States. doi:10.1016/S0010-4655(00)00073-4.
Fletcher, Graham D., Schmidt, Michael W., Bode, Brett, and Gordon, Mark S. Thu . "The Distributed Data Interface in GAMESS". United States. doi:10.1016/S0010-4655(00)00073-4.
@article{osti_15010445,
title = {The Distributed Data Interface in GAMESS},
author = {Fletcher, Graham D. and Schmidt, Michael W. and Bode, Brett and Gordon, Mark S.},
abstractNote = {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.},
doi = {10.1016/S0010-4655(00)00073-4},
journal = {Computer Physics Communications},
issn = {0010-4655},
number = 1-2,
volume = 128,
place = {United States},
year = {2000},
month = {6}
}