/dftfe-benchmarks

Primary LanguageRoff

This repository contains two primary types of benchmarks for the DFT-FE code, and is maintained by the DFT-FE developers.

Accuracy benchmarks

The accuracyBenchmarks directory contains examples involving small system sizes, which are designed to cover most of the capabilities of the DFT-FE code. Dependening on the type of example, they are also validated against another open-source code (if available).

Performance benchmarks

The performanceBenchmarks directory contains medium and large-scale performance benchmarks for DFT-FE on both CPUs and GPUs.