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

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]

@inproceedings{ShanAJOWA13,
  title = {Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms},
  author = {Hongzhang Shan and Brian Austin and Wibe De Jong and Leonid Oliker and Nicholas J. Wright and Edoardo Apra},
  year = {2013},
  doi = {10.1007/978-3-319-10214-6_13},
  url = {http://dx.doi.org/10.1007/978-3-319-10214-6_13},
  researchr = {https://researchr.org/publication/ShanAJOWA13},
  cites = {0},
  citedby = {0},
  pages = {261-280},
  booktitle = {High Performance Computing Systems. Performance Modeling, Benchmarking and Simulation - 4th International Workshop, PMBS 2013, Denver, CO, USA, November 18, 2013. Revised Selected Papers},
  editor = {Stephen A. Jarvis and Steven A. Wright and Simon D. Hammond},
  volume = {8551},
  series = {Lecture Notes in Computer Science},
  publisher = {Springer},
  isbn = {978-3-319-10213-9},
}