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

doi:10.1002/jcc.540140708

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 journal › Article › peer-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 language	English
Pages (from-to)	818-830
Number of pages	13
Journal	Journal of Computational Chemistry
Volume	14
Issue number	7
DOIs	https://doi.org/10.1002/jcc.540140708
State	Published - Jul 1993
Externally published	Yes

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title = "Implementation of the direct SCF and RPA methods on loosely coupled networks of workstations",

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. {\textcopyright} 1993 John Wiley \& Sons, Inc.",

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AU - Dame, David

AU - Golab, Joseph T.

PY - 1993/7

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AB - 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.

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JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

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ER -

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

Abstract

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