CP2K Molecular Dynamics [pts/cp2k]

CP2K is an open-source molecular dynamics software package focused on quantum chemistry and solid-state physics. This test profile currently makes use of the OpenMP implementation and using the Fayalite-FIST molecular dynamics run and measures the total time to complete.

This benchmark test was uploaded by Phoronix Test Suite.

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Revision History

pts/cp2k-1.0.0 [15 Jun 2019 10:14:18 EDT]
- Initial commit of P2K molecular dynamics software package.

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