Articles with "multinode multi" as a keyword



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Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language.

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Published in 2022 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.2c00414

Abstract: The computation of two-electron repulsion integrals (ERIs) is often the most expensive step of integral-direct self-consistent field methods. Formally it scales as O(N4), where N is the number of Gaussian basis functions used to represent… read more here.

Keywords: multi gpu; multinode; using regent; multinode multi ... See more keywords