[Pw_forum] uspp2upf.x is giving error

[Krishna chaitanya]

Dear Dr. Paolo

On Mon, Mar 4, 2013 at 2:30 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> On Mon, 2013-03-04 at 12:46 +0530, Krishna chaitanya wrote:
>
> > [scs1 at srtmun testruns_gkc]$ ./uspp2upf.x
> > Input file > bi_ps.uspp
> > At line 42 of file vanderbilt.f90
> > Fortran runtime error: End of file
>
> uspp2f90.x converts the binary format. Are you sure bi_ps.uspp
> is in binary format, compatible with what your machine expects?
>

I have compiled Vanderbilt's code in the same LINUX machine with ifort
compiler. I dont know whether there will be compatibility problem could be
there.


> Vanderbilt's code contains a utility to convert to "formatted"
> format, by the way, which can be directly read by QE
>

Now I have given the formatted potential in the PWSCF input but the error
in output is like this.

(the last part of the output)
      Reading input from standard input

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from read_ncpp : error #         1
     pseudo file is empty or wrong
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
rank 0 in job 11  srtmun.ac.in_49477   caused collective abort of all ranks
  exit status of rank 0: return code 0

Please suggest me something.


> P.
>
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
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-- 
With Best Regards

Dr. G. Krishna Chaitanya
Assistant Professor
School of Chemical Sciences
SRTM University
Nanded-431 606
India.
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