[Wien] bandstructure calculation

Masao ARAI ARAI.Masao at nims.go.jp
Wed Aug 6 06:37:55 CEST 2008


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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