An efficient MPI/openMP parallelization of the Hartree-Fock method for the second generation of Intel ® Xeon Phi ™ processor-Reference-Cited by-同舟云学术

An efficient MPI/openMP parallelization of the Hartree-Fock method for the second generation of Intel ® Xeon Phi ™ processor

Published:2017-11-12 Issue: Volume: Page:
ISSN:
Container-title:Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis
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Author:

Mironov Vladimir¹,Alexeev Yuri²,Keipert Kristopher³,D'mello Michael⁴,Moskovsky Alexander⁵,Gordon Mark S.³

Affiliation:

1. Lomonosov Moscow State University, Moscow, Russian Federation

2. Argonne National Laboratory

3. Iowa State University

4. Intel Corporation

5. RSC Technologies, Moscow, Russian Federation

Funder

U.S. Department of Energy

Intel Corporation

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3126908.3126956

Reference29 articles.

1. 2017. Argonne National Laboratory Leadership Computing Facility. (2017). http://www.alcf.anl.gov/ 2017. Argonne National Laboratory Leadership Computing Facility. (2017). http://www.alcf.anl.gov/

2. 2017. The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package. (2017). http://www.msg.ameslab.gov/gamess/index.html 2017. The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package. (2017). http://www.msg.ameslab.gov/gamess/index.html

3. 2017. U.S. Department of Energy Office of Science Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. (2017). http://www.doeleadershipcomputing.org/ 2017. U.S. Department of Energy Office of Science Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. (2017). http://www.doeleadershipcomputing.org/

4. The distributed data SCF

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