[Wien] lapw2c problem

Mohit tyagi at barc.gov.in
Tue Jan 20 13:06:05 CET 2009


Stefaan Cottenier wrote:
>>  Thanks a lot for your response. But As I am very much new to wien2k I 
>> am unable to get the meaning of SCRATCH variable. Kindly tell me how to 
>> check them.
>>     
>
> On the command line: echo $SCRATCH
>
> if needed, it can be changed in your ~/.cshrc or ~/.bashrc file
>
> Stefaan
>
>
>
> Mohit wrote:
>  > Stefaan Cottenier wrote:
>  >> Your file name /NBW.vector is at the top of your file system, which is
>  >> probably not what you want. Check your SCRATCH variable, it might have
>  >> been set to / rather than to ./
>  >>
>  >> Stefaan
>  >>
>  >>
>  >>
>  >>
>  >>>  I am facing one problem while running x lapw2 -c, It gave the 
> following error.
>  >>>
>  >>> error: command /home/mohit/WIEN2k82/lapw2c lapw2.def failed
>  >>>
>  >>>
>  >>>
>  >>> When I check lapw2.error file , It shows following error
>  >>>
>  >>>
>  >>>
>  >>> 'LAPW2'  - can't open unit: 10
>  >>>
>  >>> 'LAPW2' - file name :/NBW.vector
>  >>>
>  >>> 'LAPW2' - status : unknown  form;  unformatted
>  >>>
>  >>>
>  >>>
>  >>> and when I check NBW.vector file it seems full of strange 
> characters like (
>  >>> h@^@^<9a><99>..etc...) seems an formatted file open in wrong format.
>  >>>
>  >>> Kindly help me, what is causing this problem.......
>  >>>
>  >>> Others like x lapw1 or lapw2 are running well only problem in 
> running x lapw2 -
>  >>> c.
>  >>> Looking forward for your valuable responses.
>  >>>
>  >>> Mohit Tyagi
>  >>>
>  >>> -------------------------------------------------
>  >>>
>  >>> _______________________________________________
>  >>> Wien mailing list
>  >>> Wien at zeus.theochem.tuwien.ac.at
>  >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>  >>>
>  >>
>  >>
>  >>
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>
>   
Thanks a lot for prompt response, I checked *.cshrc file where it is 
given that [ setenv SCRATCH ./ ]. while in *.bashrc [#export 
SCRATCH=/work/au1/scratch ].
Is any problem lies here or some where else.

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