[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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