CP2k result correctness check for H2O-256, H2O-dft-ls.NREP4 benchmark dataset ?

17 July 2023 0 9K Report

Hi ,

I am running H2O-256, and H2O-dft-ls.NREP4 dataset from QS , QS_DM_LS benchmarks in CP2K application , although I am able to successfully run the benchmark but I want to know to check for result correctness of these two datasets.

Please let me know what are the variable to look in final run log for checking the result correctness of the successful run.

Thanks & Regards

Akash Mishra

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