[Wien] lapw2c problem

[Stefaan Cottenier]

> 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.

As it seems you do not know which shell you are using, you probably need 
some basic linux help rather than wien2k help. This is not the goal of 
the wien2k mailing list, search a local linux expert.

As for your problem: none of these two scratch settings seem to agree 
with the actual value (what did 'echo $SCRATCH' return?). Either you are 
using yet another shell, or your login scripts do not get executed 
properly. Or perhaps the specified scratch directory does not exist on 
your system?

Stefaan


Mohit wrote:
 > 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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 >>