Storage management strategies in large-scale quantum dynamics calculations

David W. Schwenke, Kenneth Haug, Donald G. Truhlar, Roland H. Schweitzer, John 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

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Storage management
Data storage equipment
supercomputers
Supercomputers
Information Storage and Retrieval
Datasets

Keywords

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

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Schwenke, D. W., Haug, K., Truhlar, D. G., Schweitzer, R. H., Zhang, J., Sun, Y., & Kouri, D. J. (1987). Storage management strategies in large-scale quantum dynamics calculations. Theoretica Chimica Acta, 72(4), 237-251. https://doi.org/10.1007/BF00529029

Storage management strategies in large-scale quantum dynamics calculations. / Schwenke, David W.; Haug, Kenneth; Truhlar, Donald G.; Schweitzer, Roland H.; Zhang, John; Sun, Yan; Kouri, Donald J.

In: Theoretica Chimica Acta, Vol. 72, No. 4, 11.1987, p. 237-251.

Research output: Contribution to journalArticle

Schwenke, DW, Haug, K, Truhlar, DG, Schweitzer, RH, Zhang, J, Sun, Y & Kouri, DJ 1987, 'Storage management strategies in large-scale quantum dynamics calculations', Theoretica Chimica Acta, vol. 72, no. 4, pp. 237-251. https://doi.org/10.1007/BF00529029
Schwenke, David W. ; Haug, Kenneth ; Truhlar, Donald G. ; Schweitzer, Roland H. ; Zhang, John ; Sun, Yan ; Kouri, Donald J. / Storage management strategies in large-scale quantum dynamics calculations. In: Theoretica Chimica Acta. 1987 ; Vol. 72, No. 4. pp. 237-251.
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