Storage management strategies in large-scale quantum dynamics calculations

David W. Schwenke, Kenneth Haug, Donald G. Truhlar, Roland H. Schweitzer, John Z.H. Zhang, Yan Sun, Donald J. Kouri

Research output: Contribution to journalArticle

Abstract

We discuss the computational strategies related to memory and disk storage and to data movement between memory and disk in large-scale quantum dynamics calculations. The discussion includes practical implementations of various strategies for handling large data sets on various supercomputer architectures.

Original languageEnglish (US)
Pages (from-to)237-251
Number of pages15
JournalTheoretica Chimica Acta
Volume72
Issue number4
DOIs
StatePublished - Nov 1987

Keywords

  • Computer memory
  • Quantum mechanical dynamics calculations
  • Storage management
  • Supercomputers

ASJC Scopus subject areas

  • Chiropractics

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