# 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:

- 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}

}

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