Implementation of the direct SCF and RPA methods on loosely coupled networks of workstations

Martin W. Feyereisen, Rick A. Kendall, Jeff Nichols, David Dame, Joseph T. Golab

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

Abstract

The use of a cluster of workstations as an alternative supercomputer resource is demonstrated using the ab initio direct SCF and RPA code DISCO. DISCO was implemented using several different mechanisms to achieve the requisite parallelization. The various parallel software mechanisms are characterized based upon several different criteria, including portability, ease of use, and relative efficiency. The application of direct SCF and RPA techniques to study the static polarizability of paranitroaniline is described. © 1993 John Wiley & Sons, Inc.

Original languageEnglish
Pages (from-to)818-830
Number of pages13
JournalJournal of Computational Chemistry
Volume14
Issue number7
DOIs
StatePublished - Jul 1993
Externally publishedYes

Fingerprint

Dive into the research topics of 'Implementation of the direct SCF and RPA methods on loosely coupled networks of workstations'. Together they form a unique fingerprint.

Cite this