Antony, Joseph; Rendell, Alistair; Yang, Rui; Trucks, Gary W; Frisch, Michael J
This paper explores the use of a simple linear performance model, that determines execution time based instruction and cache miss counts, for describing the behaviour of two-electron integral evaluation algorithm in the Gaussian computational chemistry package. Four different microarchitecture platforms are considered with a total of seven individual microprocessors. Both Hartree-Fock and hybrid Hartree-Fock/Density Functional Theory electronic structure methods are assessed. In most cases the...[Show more]
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