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["Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>]

Thanks for your help.

marc.torrent@cea.fr wrote:

> It seems that your compiler does appreciate conversions between integer and 
> character...
> In rwsubs.f, out() array is an array of integers containing some ascii codes 
> (in fact ascii code for spaces) and is used as character in the printing 
> format (1h , f11.4, 5x, 101a1)...
> It works on a lot of computers and workstations with a lot of compilers...
>
> Did you use a specific compiler ?  Which compiler ?

g95 which is supposed to be bug-free by now :-)

> Can you use another one ?

Yes I can. I've used PGI Workstation 6.0 and it works on some elements 
but for others it lays out this error message:

> USpp->Abinit translator: first call
 constructing ibeta =            1
 constructing ibeta =            2
 constructing ibeta =            3
 construction of qqq and ddd complete
 pseudizing qfuncs for beta= 1
 pseudizing qfuncs for beta= 2
 pseudizing qfuncs for beta= 3
 qfunc pseudized
 transformation of q and d complete
 transformation of qfunc complete
 transformation of qfcoef complete
 fourier transforming the qfunctions
 fourier transforming the core charge
 solving the schroedinger equation
 descreening the potential
 writing the pseudopotential to file
 fourier analysing pseudowavefunctions
 computing the logarithmic derivatives
 beginning search for possible ghost states
 eigensolution in bessel basis with cutoff 20.00
 eigensolution in bessel basis with cutoff 25.00
 eigensolution in bessel basis with cutoff 30.00
 eigensolution in bessel basis with cutoff 35.00
 eigensolution in bessel basis with cutoff 40.00
 eigensolution in bessel basis with cutoff 45.00
 eigensolution in bessel basis with cutoff 50.00

> USpp->Abinit translator ERROR:
   - Input variable iptype>2 not compatible !

> No file for Abinit was created !

> Other question : do you have the same error when compiling only USPP (with 
> uspp2abinit patch) ?  (you just have to type make&&make install in /uspp-xyz 
> directory...)

I think you mean without the uspp2abinit patch. Yes same error:

At line 2109 of file rwsubs.f (Unit 6 "au_ps.out 
       "                                                             )
Fortran runtime error: Expected CHARACTER for item 2 in formatted 
transfer, got 
   INTEGER
(1h , f11.4, 5x, 101a1)
                     ^
make: *** [au_ps.uspp] Error 2


--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--