[CP2K-user] CP2K 7.1-Cuda Bandgap and HF energies different from previous versions

Fabian Ducry fabia... at gmail.com
Mon May 4 16:23:50 UTC 2020


Dear Leopold,

This page gives detailes about the configuration of the HPC clusters used 
in the tests: https://www.cp2k.org/performance:systems
But these test only compare the performance and do not check the accuracy 
as far as I know. The dashboard (https://dashboard.cp2k.org/) states that 
the current revision correctly runs on Piz Daint (psmp), at least according 
to the regtests. Its possible that this aspect is not covered by any 
regtest though.

Best,
Fabian
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