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Energy-Efficient Computational Chemistry: Comparison of x86 and ARM Systems

Keipert, Kristopher; Mitra, Gaurav; Sunriyal, Vaibhav; Leang, Sarom S.; Sosonkina, Masha; Rendell, Alistair; Gordon, Mark S


The computational efficiency and energy-to-solution of several applications using the GAMESS quantum chemistry suite of codes is evaluated for 32-bit and 64-bit ARM-based computers, and compared to an x86 machine. The x86 system completes all benchmark computations more quickly than either ARM system and is the best choice to minimize time to solution. The ARM64 and ARM32 computational performances are similar to each other for Hartree–Fock and density functional theory energy calculations....[Show more]

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
Source: Journal of Chemical Theory and Computation (JCTC)
DOI: 10.1021/acs.jctc.5b00713


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