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

doi:10.1007/BF00529029

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

Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	237-251
Number of pages	15
Journal	Theoretica Chimica Acta
Volume	72
Issue number	4
DOIs	https://doi.org/10.1007/BF00529029
State	Published - Nov 1987

Keywords

Computer memory
Quantum mechanical dynamics calculations
Storage management
Supercomputers

ASJC Scopus subject areas

Chiropractics

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10.1007/BF00529029

Cite this

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title = "Storage management strategies in large-scale quantum dynamics calculations",

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.",

keywords = "Computer memory, Quantum mechanical dynamics calculations, Storage management, Supercomputers",

author = "Schwenke, {David W.} and Kenneth Haug and Truhlar, {Donald G.} and Schweitzer, {Roland H.} and Zhang, {John Z.H.} and Yan Sun and Kouri, {Donald J.}",

year = "1987",

month = nov,

doi = "10.1007/BF00529029",

language = "English (US)",

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AU - Schwenke, David W.

AU - Haug, Kenneth

AU - Truhlar, Donald G.

AU - Schweitzer, Roland H.

AU - Zhang, John Z.H.

AU - Sun, Yan

AU - Kouri, Donald J.

PY - 1987/11

Y1 - 1987/11

N2 - 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.

AB - 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.

KW - Computer memory

KW - Quantum mechanical dynamics calculations

KW - Storage management

KW - Supercomputers

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JO - Theoretica Chimica Acta

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Storage management strategies in large-scale quantum dynamics calculations

Abstract

Keywords

ASJC Scopus subject areas

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