[Wien] bandstructure calculation

[Peter Blaha]

Ok.

PS: Apparently the plain  "tail -N" and "head -N" commands work on your 
Linux box, i.e. the problems are only when "+N" is used ?

Masao ARAI schrieb:
> Dear, Prof. Blaha,
> 
> Thank you for your modification. It works on my Linux box.
> However,
> 
>    tail -n +2
> 
> may be more compatible with other unix variant (like AIX).
> 
> Best regards,
> --
> Masao Arai
> NIMS, Japan
>> Thank you very much for your clear analysis of the problem.
>>
>> Since I do not have the Linux version  installed myself, I cannot test 
>> it, but I've changed all    "tail +N"   statements in our scripts to
>>   tail --lines=+2
>> which hopefully works also on your Linux version.
>>
>> Regards
>>
>> Masao ARAI schrieb:
>>   
>>> Dear Prof. Blaha, Prof. C-W Zhang,
>>>
>>> Recently I encountered similar error message.
>>> It occurs because "tail" command in newer Ubuntu Linux (and possibly others)
>>> invalidated the option +N.
>>>
>>> https://bugs.launchpad.net/ubuntu/+source/coreutils/+bug/241555
>>>
>>> Thus,  the following command emits an error message:
>>>
>>> $ tail +3 case.irrepup_1
>>> tail: cannot open `+3' for reading: No such file or directory
>>>
>>> According to above web page, this problem can be avoided if the 
>>> environment variable
>>> _POSIX2_VERSION is set:
>>>
>>> $ export _POSIX2_VERSION=199209
>>> $ x spaghetti -p
>>>
>>> I am not sure whether this environment has  any side effect.
>>> But, if I set it before execution, spaghetti (with parallel execution) 
>>> works fine.
>>>
>>> Best regards,
>>>
>>> --
>>> Masao Arai
>>> NIMS, Japan
>>>
>>>
>>>
>>>     
>>>> Remove the ZnOC.irrep* files  (or recalculate them properly).
>>>>
>>>>   
>>>>       
>>>>>    All calculations are well with "runsp_lapw -p".while calcualte 
>>>>> bandstructure, the error appears as follows:
>>>>>
>>>>>    tail: cnanot open "+3" for reading : No such file or directory
>>>>>
>>>>>    forrtl: severe (64):input conversion error, unit 30,file 
>>>>> /home/ZnOC/ZnOC.irrepup.
>>>>>
>>>>>  
>>>>>
>>>>>    Any suggestions are wellcome.
>>>>>
>>>>>    Thanks!
>>>>>
>>>>>    C-W Zhang
>>>>>     
>>>>>         
>>>>   
>>>>       
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>     
>>   
> 
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
-----------------------------------------