[Wien] strange time using -it switch

[Peter Blaha]

 From the info you provide I can see:

if ( 1 ) then
set scratch=`echo $SCRATCH  | sed -e 's/\/$//'`/
echo ./
sed -e s/\/$//
endif
cd ./
setenv PWD /scratch/zhang/test/100

Your scratch variable is set to ./ (i.e. the currend working dir).
 From PWD I can see that you run in /scratch/zhang/test/100  and
vectors should reside in this directory. Is this ok ?
Check if your vectors
are really there and if your case is called "100".

Otherwise the error is in the SCRATCH variable.

> if ( ! 0 ) then
> foreach i ( 100.vector* )
> set i1=`echo $i |grep -v -e '\.old'`
> echo 100.vector
> grep -v -e \.old
> if ( 100.vector !=  ) then
> if ( ! -z 100.vector ) then
> if ( ==  ) then
> mv 100.vector 100.vector.old
> if ( 0 == 0 ) echo moving 100.vector to 100.vector.old
> echo moving 100.vector to 100.vector.old

Here it moved 100.vector to 100.vector.old and it echos this
to STDOUT, i.e. you should see a corresponding line on your
window (or in the dayfile for a run_lapw).

> else
> endif
> endif
> end
> else
> exit 0

and here it exits without error.

I cannot see any error.  (Whatever this "invalid null command is ...??)

> Invalid null command.
>  LAPW1 END
> Invalid null command.
> LAPW2 END
> Invalid null command.
>  CORE  END
> Invalid null command.
>  MIXER END
> ec cc and fc_conv 0 1 1
> 
>>   energy in SCF NOT CONVERGED
> 
> [1]    Done                          run -it -i 2
> 
> The run_lapw is never crashed, and it coverages very well.
> 
> Regards,
> Yongsheng
> 
>> No!!! Not in run_lapw, but in    vec2old_lapw  you should change -f to -fx
>>
>> Furthermore: your run_lapw crashed ? without stopping ??? as can be seen below.
>> Similar error happened with your lapw1 ?????
>>
>> Yongsheng Zhang schrieb:
>>   
>>
> 
> 

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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