Scaling tests of a new algorithm for DFT hybrid-functional calculations on Trinity Haswell
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
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).
- Research Organization:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- AC04-94AL85000
- OSTI ID:
- 1390763
- Report Number(s):
- SAND2017-9703R; 656884
- Country of Publication:
- United States
- Language:
- English
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