[CP2K-user] About new benchmark tests in v7.1 release

[Ole Schütt]

Hi Vitesse,

there isn't really an official benchmark suit for CP2K. Instead people 
usually assemble their own set of benchmarks that represent the workloads 
they care about.

That being said, a popular choice are the following three:

- H2O-1024
- LiH-HFX
- H2O-DFT-LS


This is also what PRACE is currently using: 
https://repository.prace-ri.eu/git/UEABS/ueabs/

-Ole

On Monday, December 30, 2019 at 8:11:14 AM UTC+1, vitesse lin wrote:
>
> Dear all,
>
> In v7.1, I found 11 benchmark tests in this path 
> <https://github.com/cp2k/cp2k/tree/master/benchmarks>. 
> However, from the link <https://www.cp2k.org/performance>, I didn;t find 
> the related new results and there are only 5 test cases list in CP2K 
> official benchmark test suite.
> Which benchmark tests will be listed in CP2K official benchmark test 
> suite, we want to run the related tests in our environment.
>
> Thanks,
> Vitesse.
>
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