The ABINIT Users Mailing List ( CLOSED )

[verstraete@pcpm.ucl.ac.be]

Go to version 4.6. A lot of xlf/MacOSX - specific bugs have been 
corrected. You may have a new bug, but let's hope not.

Matthieu

On Fri, 5 Aug 2005, Paul Fons wrote:

> Now that I have my shiny new dual G5 in hand, I am attempting to compile the 
> sequential version (before attempting the MPI version) of abinit-4.5.3 and I 
> am running into a problem in Src_6response with the function rhoferm3.F90. 
> In particular, it would seem that on lines 240 and 243 (in some debugging 
> code), there is a use of rhorfermi that is causing problems with the INOUT 
> definition attribute.  There are two instances defined in the comments, 
> namely:
>
> !!  rhorfermi(nfft,nspden)=array for electron density in electrons/bohr**3.
> !!  rhorfermi(cplex*nfft,nspden)=RF electron density in electrons/bohr**3.
>
> and yet there seems to be only one template:
>
> real(dp),intent(out) :: rhorfermi(cplex*nfft,nspden)
>
>
> Any suggestions as to how to fix this?  I don't understand enough of F90 
> (yet) to understand what to try next (although I have tried several things 
> already).  I did find a similar problem referenced in the archives (in 
> forces.F90), but the fix was never explicitly mentioned.  Thanks for any 
> help.
>
>
>                       Paul
>
> For reference, here is the actual snippet from the compilation (everything 
> worked fine before this).
>
> F90 > rhofermi3_cpp.f90
> f90  -w -O -f free -N11 -cpu:g5 -altiVec  -I../Lib_nanoquantaxc -c 
> rhofermi3_cpp.f90
>
>   write(message,'(i5,a,es13.6)')ifft,' ',rhorfermi(ifft,1)
>                                                          ^
> cf90-1640 f90fe: ERROR RHOFERMI3, File = rhofermi3_cpp.f90, Line = 240, 
> Column = 60
> Dummy arguments with the INTENT(OUT) attribute must be defined before use.
>
>    write(message,'(a,es13.6)')'      ',rhorfermi(ifft,2)
>                                                        ^
> cf90-1640 f90fe: ERROR RHOFERMI3, File = rhofermi3_cpp.f90, Line = 243, 
> Column = 58
> Dummy arguments with the INTENT(OUT) attribute must be defined before use.
>
> f90: Copyright Absoft Corporation 1994-2005; Absoft Fortran Compiler Version 
> 9.2

--
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Matthieu Verstraete             mailto:verstraete@pcpm.ucl.ac.be
PCPM, Boltzmann, pl. Croix du Sud, 1        tel: +32 10 47 33 59
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