Parallel Quantum Chemistry In an SMP Environment.

Abstract

The funds awarded were used to purchase an eight node IBM J50 computer, and the associated software. Each node is configured with 256MB of memory and 4 GB of disk. The system is currently being run as eight separate nodes. In addition to the DoD funds, IBM provided $40,000 in matching funds for this project. The IBM funds were used to purchase two dual processor 233 MHz IBM 43P computers. These are PCI-based systems, each of which is configured with 512 MB of memory and 9 GB of disk. As for the J50, we are using these systems as two independent nodes, until the parallel environment is released. Finally, Apple Computer has given us a high end Macintosh computer as part of their match. This computer has already played a central role in the development of MacMolPlt, a graphical interface for our electronic structure code GAMESS.

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Document Details

Document Type
Technical Report
Publication Date
Apr 08, 1998
Accession Number
ADA342698

Entities

People

  • Mark S. Gordon

Organizations

  • Iowa State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Air Force
  • Air Force Facilities
  • Alkenes
  • Ceramic Materials
  • Chemistry
  • Computers
  • Diatomic Molecules
  • Electron Density
  • Electrons
  • Energy
  • Environment
  • High Energy
  • Materials
  • Potential Energy
  • Quantum Chemistry
  • Silicon Carbide
  • Word Processors

Fields of Study

  • Computer science

Readers

  • Computer Science.
  • Government and Public Administration Law.
  • Parallel and Distributed Computing.

Technology Areas

  • Microelectronics
  • Quantum Computing
  • Quantum Science - Quantum Key Distribution