[Wien] bandstructure calculation

arai ARAI.Masao at nims.go.jp
Mon Aug 18 10:26:07 CEST 2008


Yes,  "tail -N" and "head -N" work fine.

Best regards,
Masao Arai
> 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
>>>>>>     
>>>>>>         
>>>>>>             
>>>>>   
>>>>>       
>>>>>           
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>>>> Wien at zeus.theochem.tuwien.ac.at
>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>>     
>>>>         
>>>   
>>>       
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>>     
>
>   



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