[Wien] bug in qtl

[Hamza Bouafia]

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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