Basis set file name differs in the output and the input file

[huan... at mail.huji.ac.il]

Dear Tamás,

I found the same "error" at the beginning of the output file. The version 
of CP2K is 2.7 in my computer.

I think it is not a big problem for running CP2K, since no Error reported 
or no crash down of the program.

It might be just a "printing bug" in the later versions (versions after 
2.5.1 as you mentioned).

Regards,
Huan
.



On Thursday, July 14, 2016 at 5:26:06 PM UTC+3, Tamás Bihari wrote:
>
> Dear All,
>
> We are testing a freshly compiled 3.0 version of CP2K, and in the output 
> we noticed a suspicious error-like behavior in the beginning of the run.
>
> We requested to use the following basis set and potential file:
>      BASIS_SET_FILE_NAME BASIS_MOLOPT
>      POTENTIAL_FILE_NAME GTH_POTENTIALS
>
> While this line was present in the output.
>      GLOBAL| Basis set file name            GTH_POTENTIA
>
>
> In the earlier versions (2.5.1) we have used the same input file and the 
> output was always consistent with the input.
>
> What is the problem?
>
>
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