[Wien] bug in qtl

[Laurence Marks]

This might be a recent addition if "-1" in the def, I will leave it to
Peter..

---
Prof Laurence Marks
"Research is to see what everyone else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu

On Sat, May 29, 2021, 09:43 Hamza Bouafia <hamza.bfa at gmail.com> wrote:

> Dear Prof. L. Marks,
> I carried out several tests and I noticed that the program crach only in
> parallel mode, and here is the error message obtained after:
> x lapw1 -p
> x qtl -p
> ############# error message
> running QTL in parallel mode
> calculating QTL's from parallel vectors
> so: Undefined variable.
> 0.014u 0.022s 0:00.02 150.0% 0+0k 0+24io 0pf+0w
> error: command   /home/job/Wien2k/qtlpara -c qtl.def   failed
> ############
> i think the error is in qtlpara file and not qtl program.
> in attached file you find the error and def files
> for the version, of course, it's 21.1
> for my previous message, I ask you to ignore it because the error was
> obvious because I launched x qtl after a parallel calculation of lapw1
> Sincerely
>
> Le sam. 29 mai 2021 à 14:24, Laurence Marks <laurence.marks at gmail.com> a
> écrit :
>
>> Before Peter asks, is this 21.1 & what is in qtl.def ?
>>
>> ---
>> Prof Laurence Marks
>> "Research is to see what everyone else has seen, and to think what nobody
>> else has thought", Albert Szent-Györgyi
>> www.numis.northwestern.edu
>>
>> On Sat, May 29, 2021, 07:19 Hamza Bouafia <hamza.bfa at gmail.com> wrote:
>>
>>> Dear Prof. P. Blaha,
>>>
>>> I think there is a bug in qtl program (x qtl) for non-magnetic
>>> calculations, it is trying to open case.vectordn file instead of
>>> case.vector.
>>>
>>> The error message in qtl.error file :
>>>
>>> 'QTL' - can't open unit:
>>> 10
>>>
>>>  'QTL' -        filename:
>>> ./CuInS2.vectordn
>>>
>>>  'QTL' -          status: unknown      form: unformatted
>>>
>>> Sincerely
>>>
>>> H.BOUAFIA
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