Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms - researchr publication authors

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Hongzhang Shan, Brian Austin, Wibe De Jong, Leonid Oliker, Nicholas J. Wright, Edoardo Apra. Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms. In Stephen A. Jarvis, Steven A. Wright, Simon D. Hammond, editors, High Performance Computing Systems. Performance Modeling, Benchmarking and Simulation - 4th International Workshop, PMBS 2013, Denver, CO, USA, November 18, 2013. Revised Selected Papers. Volume 8551 of Lecture Notes in Computer Science, pages 261-280, Springer, 2013. [doi]

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