The ABINIT Users Mailing List ( CLOSED )

[Marc Torrent <marc.torrent@cea.fr>]

Hye,

For the AtomPAW's compilation, I don't know (it seems that you go beyond 
a stack limit of your compiler - I don't know SGI compiler but you 
probably can find an option to correct it),

But for AtomPAW2Abinit it sounds like your compiler treats all *.f files 
as "fixed Fortran format" files ; perhaps it misses an option to tell 
the compiler that Fortran files are in free format

Marc Torrent
CEA- Bruyeres-le-Chatel - France


Amancherla, Sundar (CORP, GEITC) wrote:
> Hello users / developers...
>
> I am trying to compile and use the atompaw for paw potentials. I
> compiled atompaw - got this message while making on an SGI
>
> $ f90 -mips4 -r14000 -TARG:platform=ip35 -bigp_on -Ofast -o atompaw
> anderson_realmix.o  alanfac.o apoisson.o atompaw.o boundsch.o boundsep.o
> bsolvtphi.o  dfatom.o dqij.o dtij.o dtij1.o dvij.o  energyanalysis.o
> exchcor.o excor.o excorp.o excorpbe.o expectation.o  fcdfatom.o
> fcsepatom.o findtpsi.o formbprojector.o formdensity.o  formpotential.o
> fourier.o ftprod.o ftproj.o fttphi.o  globalconstants.o  interpwf.o
> inwardh.o kinetic.o kinetic1.o laplacian.o  laplacian1.o linsol.o
> logderiv.o makeblochl.o mkname.o modhatpot.o  modrthomas.o nderiv.o
> outwardh.o outwardi.o overint.o overlap.o  poisson.o potential.o ranx.o
> rcdfatom.o selfhatpot.o  sepenergyanal.o sepnorm.o sethatexp.o
> sethatsinc.o shift4.o  smoothtoae.o sphbes.o thomas.o trunk.o
> unboundsch.o unboundsep.o -lscs
> "3.I": Warning: Stack frame size (79996928) larger than system limit
> (67108864)
>
> atompaw < O.input --> segmentation fault (core dumped)!!! Is it related
> to the warning above?
>
> =================================
>
> I cannot even compile the Atompaw2abinit utility
> ________________________________________________________________________
> _______________
>         rm -f defs_basis_cpp.f ; \
>                  /usr/lib/cpp  defs_basis.f > defs_basis_cpp.f ; \
>                  f90 -mips4 -r14000 -TARG:platfrom=ip35 -Ofast -c
> defs_basis_cpp.f ; \
>                  mv defs_basis_cpp.o defs_basis.o ; \
>                  rm defs_basis_cpp.f
> Warning: Option 'platfrom' not in group 'TARG' (TARG:platfrom=ip35)
> f90-1391 f90: WARNING in command line
>   Source file "defs_basis_cpp.f" contains no Fortran statements.
>
>  module defs_basis
>  ^                 
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 29, Column = 2 
>   The characters found in the label field are not valid.
>      ^             
> f90-211 f90: ERROR MAIN__, File = defs_basis.f, Line = 29, Column = 6 
>   Continuation is not allowed for this statement.
>
>  implicit none
>  ^             
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 31, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: i4b=selected_int_kind(9)
>  ^                                              
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 37, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: i2b=selected_int_kind(4)
>  ^                                              
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 40, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: i1b=selected_int_kind(2)
>  ^                                              
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 41, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: dp=kind(1.0d0)
>  ^                                    
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 50, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: dpc=kind((1.0d0,1.0d0))  ! Complex should not be
> used presently
>  ^
>
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 51, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: lgt=kind(.true.)
>  ^                                      
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 64, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: fnlen=132    ! maximum length of file name
> variables
>  ^
>
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 67, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: strlen=16000 ! maximum length of input string
>  ^                                                                   
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 68, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: integer_not_used=0
>  ^                                        
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 71, Column = 2 
>   The characters found in the label field are not valid.
>
>  logical, parameter :: logical_not_used=.true.
>  ^                                             
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 72, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: std_in=5,ab_in=5  ! generally, the number 5 is
> directly used
>  ^
>
> f90-400 f90: ERROR MAIN__, File = defs_basis.f, Line = 76, Column = 2 
>   The characters found in the label field are not valid.
>
>  integer, parameter :: std_out=6         ! generally, the number 6 is
> directly used
>  ^