[Wien] bandstructure calculation

[Peter Blaha]

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
>>>     
>>   
> 
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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
-----------------------------------------