Benchmark QE 6.8 on Azure, 4H-SiC, 600 atoms

Microsoft Azure HPC instance

We benchmarked the first-principles calculation software Quantum ESPRESSO on Azure HPC instances HB120rs and HC44rs .

As of December 4, 2021

Azure HPC information site

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Quantum ESPRESSO setting conditions

The model and calculation conditions used for the benchmark are shown.

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Benchmark results

A table summarizing the time taken for 1SCF for each HPC instance HB120rs series and HC44rs is shown. The HC44rs for Intel CPUs scored between HB120-32rs and HB120-64rs. Considering the node unit price, HB120rs is the most efficient and economical HPC node in this model.

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Summary

• For the 600 atom model, HB120rs is the most economical and fastest to calculate.
• When calculating with HB120rs (120 cores), it is necessary to do it with a larger model. (QE will be an error on small models.)
• For smaller models and some supercell sizes, the HC44rs are a good choice.

Original Source from: https://ctc-mi-solution.com/microsoft-azure-インスタンスでの-quantum-espresso-ベンチマーク/

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