The Distributed Data Interface in GAMESS

Journal Article · Thu Jun 01 00:00:00 EDT 2000 · Computer Physics Communications

DOI:https://doi.org/10.1016/S0010-4655(00)00073-4· OSTI ID:15010445

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

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.

• Research Organization: Pacific Northwest National Lab., Richland, WA (US), Environmental Molecular Sciences Laboratory (US)
• Sponsoring Organization: US Department of Energy (US)
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 15010445
• Journal Information: Computer Physics Communications, Vol. 128, Issue 1-2; Other Information: PBD: 1 Jun 2000; ISSN 0010-4655
• Country of Publication: United States
• Language: English

Related Subjects

99 GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE
DESIGN
IMPLEMENTATION
PERFORMANCE
MEMORY DEVICES
DATA TRANSMISSION
ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY