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