Distributed data interface in GAMESS

Graham D. Fletcher, Michael W. Schmidt, Brett M. Bode, Mark S. Gordon

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Pages (from-to)190-200
Number of pages11
JournalComputer Physics Communications
Volume128
Issue number1
DOIs
StatePublished - Jun 9 2000
Externally publishedYes

ASJC Scopus subject areas

  • Hardware and Architecture
  • Physics and Astronomy(all)

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