PARALLEL DIRECT SCF AND GRADIENT PROGRAM FOR WORKSTATION CLUSTERS

Authors
BRODE S HORN H EHRIG M MOLDRUP D RICE JE AHLRICHS R
Citation
S. Brode et al., PARALLEL DIRECT SCF AND GRADIENT PROGRAM FOR WORKSTATION CLUSTERS, Journal of computational chemistry, 14(10), 1993, pp. 1142-1148
Citations number
34
Categorie Soggetti
Chemistry
Journal title
Journal of computational chemistry → ACNP
ISSN journal
01928651
Volume
14
Issue
10
Year of publication
1993
Pages
1142 - 1148
Database
ISI
SICI code
0192-8651(1993)14:10<1142:PDSAGP>2.0.ZU;2-A
Abstract
A parallel direct SCF and gradient program for workstation clusters ha s been implemented on the basis of the ab initio program package TURBO MOLE. Applications on large molecular systems monitor an appreciable s peedup in residence time. (C) 1993 by John Wiley & Sons, Inc.