[CP2K-user] [CP2K:19158] CP2k result correctness check for H2O-256, H2O-dft-ls.NREP4 benchmark dataset
Akash Mishra
akash.mishra190 at gmail.com
Sat Jul 29 18:42:14 UTC 2023
Hi members ,
Please share your suggestion on below mail.
On Wed, 26 Jul 2023 at 4:13 PM, Akash Mishra <akash.mishra190 at gmail.com>
wrote:
> 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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