OpenMP in VASP: Threading and SIMD-Reference-Cited by-同舟云学术

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OpenMP in VASP: Threading and SIMD

Published:2018-12-19 Issue:12 Volume:119 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Wende Florian¹^ORCID,Marsman Martijn²,Kim Jeongnim³^ORCID,Vasilev Fedor⁴,Zhao Zhengji⁵,Steinke Thomas¹

Affiliation:

1. Supercomputing Department Zuse Institute Berlin Berlin Germany

2. University of Vienna, Faculty of Physics and Center for Computational Materials Science Vienna Austria

3. Intel Corporation Hillsboro Oregon

4. Intel Corporation Nizhny Novgorod Russian Federation

5. National Energy Research Scientific Computing Center Berkeley California

Funder

Intel Corporation

Office of Science

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.25851

Reference31 articles.

1. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

2. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

3. Hybrid functionals applied to extended systems

4. Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si

5. Cubic scalingGW: Towards fast quasiparticle calculations

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