Strategies and performance norms for efficient utilization of vector pipeline computers as illustrated by the classical mechanical simulation of rotationally inelastic collisions

David L. Cochrane, Donald G. Truhlar

Research output: Contribution to journalArticle

10 Scopus citations

Abstract

We discuss the vectorization of a classical mechanical trajectory code which simulated the interaction of a rotationally excited rigid rotator with a colliding atom. This code was optimized in FORTRAN 77 and can be run on either a VAX 11/780 minicomputer or a CRAY-1 vector pipeline supercomputer. The article presents a global strategy for vectorizing a classical mechanical trajectory code, a set of performance criteria for characterizing the vectorization of a computer code, and an analysis of the four major subroutines of the vectorized trajectory code in terms of this strategy and these criteria.

Original languageEnglish (US)
Pages (from-to)63-85
Number of pages23
JournalParallel Computing
Volume6
Issue number1
DOIs
StatePublished - Jan 1988

Keywords

  • CRAY-1
  • Simulation of rotationally inelastic collisions
  • implementation features
  • timing results
  • vectorization

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