[CP2K:7962] Re: Basis set file name differs in the output and the input file

[Tamás Bihari]

I agree, this is a printing bug issue IMO as well.

2016-07-17 10:28 GMT+02:00 <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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