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Title: Scaling tests of a new algorithm for DFT hybrid-functional calculations on Trinity Haswell

Abstract

We show scaling results for materials of interest in Sandia Radiation-Effects and High-Energy-Density-Physics Mission Areas. Each timing is from a self-consistent calculation for bulk material. Two timings are given: (1) walltime for the construction of the CR exchange operator (Exchange-Operator) and (2) walltime for everything else (non-Exchange-Operator).

Authors:
 [1];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1390763
Report Number(s):
SAND2017-9703R
656884
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING

Citation Formats

Wright, Alan F., and Modine, Normand A. Scaling tests of a new algorithm for DFT hybrid-functional calculations on Trinity Haswell. United States: N. p., 2017. Web. doi:10.2172/1390763.
Wright, Alan F., & Modine, Normand A. Scaling tests of a new algorithm for DFT hybrid-functional calculations on Trinity Haswell. United States. doi:10.2172/1390763.
Wright, Alan F., and Modine, Normand A. Fri . "Scaling tests of a new algorithm for DFT hybrid-functional calculations on Trinity Haswell". United States. doi:10.2172/1390763. https://www.osti.gov/servlets/purl/1390763.
@article{osti_1390763,
title = {Scaling tests of a new algorithm for DFT hybrid-functional calculations on Trinity Haswell},
author = {Wright, Alan F. and Modine, Normand A.},
abstractNote = {We show scaling results for materials of interest in Sandia Radiation-Effects and High-Energy-Density-Physics Mission Areas. Each timing is from a self-consistent calculation for bulk material. Two timings are given: (1) walltime for the construction of the CR exchange operator (Exchange-Operator) and (2) walltime for everything else (non-Exchange-Operator).},
doi = {10.2172/1390763},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Sep 01 00:00:00 EDT 2017},
month = {Fri Sep 01 00:00:00 EDT 2017}
}

Technical Report:

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