[CP2K-user] please comment;

[Alfio Lazzaro]

The test is OK, I would not bother by the wrong result.

Alfio



Il giorno lunedì 13 maggio 2019 14:52:14 UTC+2, Espen Tangen ha scritto:
>
> Number of FAILED  tests 0
> Number of WRONG   tests 1
> Number of CORRECT tests 3053
> Number of NEW     tests 19
> Total number of   tests 3073
> GREPME 0 1 3053 19 3073 X
> --------------------------------------------------------------------------
> Regtest took 1423.00 seconds.
>
>
> Failed test is: 
>
> Fist/regtest-1-4/water_atprop_ewald.inp.out : 
>  POTENTIAL ENERGY : ref = 0.375664704477E-02 new = 0.375664704476E-02  
>  relative error :   2.66189859e-12 >  numerical tolerance = 1.0E-14  
>
>
> May I regard this as satisfying, or do I need to do anything about the 
> compilation/code?
>
> Note that I get no errors for popt and O2 flag, with intel compiler 
> 2017.0.4.
>
> Regards
>
> Et.
>
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