The Distributed Data Interface in GAMESS

The Distributed Data Interface to permit storage of large data arrays in th e 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 lib raries. The good performance of a MP2 program using DDI is demonstrated on both PC and workstation cluster computers, and some details of the resultin g message traffic are presented. (C) 2000 Elsevier Science B.V. All rights reserved.