[Wien] kgen issue in 13.1

[Stefaan Cottenier]

Indeed, this works fine.

Thanks,
Stefaan




On 27/06/2013 15:00, Peter Blaha wrote:
> This should happen only if you specify        x kgen -hf
>
> However, checking the source I found that "createhf" is not set to
> .false. as a default and since we changed an "if" statement from .eq. to
> .eqv., it might be that it leads to this behavior on some computers (not
> on mine with latest ifort).
>
> Anyway, a proper fix is to insert
>
> !
>        createhf = .false.
>
> as first executable statement in    SRC_kgen/main.f
> (line 125)
>
> I will update and put it in the download area.
>
>
>
> On 06/27/2013 02:31 PM, Stefaan Cottenier wrote:
>>
>> I notice that the new wien2k 13.1 spends a lot of time (=up to 1 minute)
>> in kgen. This appears to be due to a large fort.10 file that is written
>> by create_filehf.f in SRC_kgen (it is 40 Mb for a simple test case).
>> This fort.10 file is not present when wien2k 12.1 is used.
>>
>> Is this the desired behaviour, or was perhaps a write statement not
>> commented away?
>>
>> Thanks,
>> Stefaan
>>
>>
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>