Performance Analysis of Electronic Structure Codes on HPC Systems: A Case Study of SIESTA

Open Access

Peer-reviewed

Research Article

About the Authors

Fabiano Corsetti

* E-mail: f.corsetti@nanogune.eu

Affiliation CIC nanoGUNE, Donostia-San Sebastián, Spain

The author has declared that no competing interests exist.

Conceived and designed the experiments: FC. Performed the experiments: FC. Analyzed the data: FC. Wrote the paper: FC.

Fats
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Topology
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Supercomputers
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Atoms
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Computer architecture
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Density functional theory
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Molecular dynamics
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Molecular structure
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