The ABINIT Users Mailing List ( CLOSED )

[Paul Fons <paul-fons@aist.go.jp>]

 I have succeeded in getting abinit to compile and run in 32 and 64  
bits with the g95 compiler (I had to build it from source to get the  
64 bit version).  This is on a 2.7 GHz dual G5 with 4 GB of memory  
and OS 10.4.2. The g95 passes all of the tests as well in both 32 and  
64 bit mode.  This is for the latest code 4.6.3 codebase. I suspect  
that the code generated by the absoft compiler I just bought is  
better (wishful thinking?) and would like to compile abinit with this  
as well (I am planning to build the mpi version as soon as I get a  
stable serial version).  I managed to get absoft to compile the  
serial version (with a lot of complaints about INTENT statements  
(pasted below for reference).  The finished version however passes  
some tests and fails others (under make tests).  This was building  
the source with the makefile_macros that were included with the  
source (for the absoft compiler).  Has anyone built abinit using the  
absoft compiler (9.2) and gotten it to pass the tests and if so what  
was your secret?

                                                                        
             Paul


For reference here are the INTENT errors flagged by the absoft compiler.

/usr/bin/cpp  -Dmacosx -DFLOAT="double precision" -DPOINTER_SIZE=4 -P  
afterscfloop.F90 > afterscfloop_cpp.f90
f90  -w -O -f free -N11 -I../Lib_nanoquantaxc -c afterscfloop_cpp.f90

&    nresid,nspden,psps%ntypat,n_fftgr,n_index,n1xccc,dtset% 
occopt,paw_ij,dtset%pawoptmix,dtset%pawsphmix,ph1df,prtvol,psps% 
qgrid_vl,&


/usr/bin/cpp  -Dmacosx -DFLOAT="double precision" -DPOINTER_SIZE=4 -P  
fermi.F90 > fermi_cpp.f90
f90  -w -O -f free -N11 -I../Lib_nanoquantaxc -c fermi_cpp.f90

    nelect=nelect+wtk_norm(ik)*occ(ik,ib)
                                        ^
cf90-1640 f90fe: ERROR FERMI, File = fermi_cpp.f90, Line = 81, Column  
= 41
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.


/usr/bin/cpp  -Dmacosx -DFLOAT="double precision" -DPOINTER_SIZE=4 -P  
findkp.F90 > findkp_cpp.f90
f90  -w -O -f free -N11 -I../Lib_nanoquantaxc -c findkp_cpp.f90

             write(*,*) ik,kbz(:,ik),g0
                        ^
cf90-1640 f90fe: ERROR FINDKP, File = findkp_cpp.f90, Line = 74,  
Column = 25
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.
                                 ^
cf90-1640 f90fe: ERROR FINDKP, File = findkp_cpp.f90, Line = 74,  
Column = 34
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.
                                     ^
cf90-1640 f90fe: ERROR FINDKP, File = findkp_cpp.f90, Line = 74,  
Column = 38
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

/usr/bin/cpp  -Dmacosx -DFLOAT="double precision" -DPOINTER_SIZE=4 -P  
pawxcgrad.F90 > pawxcgrad_cpp.f90
f90  -w -O -f free -N11 -I../Lib_nanoquantaxc -c pawxcgrad_cpp.f90

  dnexcdn(ir,1)=vxci(ir,1)
                         ^
cf90-1640 f90fe: ERROR PAWXCGRAD, File = pawxcgrad_cpp.f90, Line =  
98, Column = 26
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

  if(nspden==2) dnexcdn(ir,2)=vxci(ir,2)
                                       ^
cf90-1640 f90fe: ERROR PAWXCGRAD, File = pawxcgrad_cpp.f90, Line =  
99, Column = 40
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

f90: Copyright Absoft Corporation 1994-2005; Absoft Fortran Compiler  
Version 9.2


/usr/bin/cpp  -Dmacosx -DFLOAT="double precision" -DPOINTER_SIZE=4 -P  
psp1cc.F90 > psp1cc_cpp.f90
f90  -w -O -f free -N11 -I../Lib_nanoquantaxc -c psp1cc_cpp.f90

   der1=xccc1d(1,ider+2)
                       ^
cf90-1640 f90fe: ERROR PSP1CC, File = psp1cc_cpp.f90, Line = 116,  
Column = 24
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

   dern=xccc1d(n1xccc,ider+2)
                            ^
cf90-1640 f90fe: ERROR PSP1CC, File = psp1cc_cpp.f90, Line = 117,  
Column = 29
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

   der1=xccc1d(1,ider+2)
                       ^
cf90-1640 f90fe: ERROR PSP1CC, File = psp1cc_cpp.f90, Line = 129,  
Column = 24
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

   dern=xccc1d(n1xccc,ider+2)
                            ^
cf90-1640 f90fe: ERROR PSP1CC, File = psp1cc_cpp.f90, Line = 130,  
Column = 29
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

f90: Copyright Absoft Corporation 1994-2005; Absoft Fortran Compiler  
Version 9.2


/usr/bin/cpp  -Dmacosx -DFLOAT="double precision" -DPOINTER_SIZE=4 -P  
psp4cc.F90 > psp4cc_cpp.f90
f90  -w -O -f free -N11 -I../Lib_nanoquantaxc -c psp4cc_cpp.f90

   der1=xccc1d(1,ider+2)
                       ^
cf90-1640 f90fe: ERROR PSP4CC, File = psp4cc_cpp.f90, Line = 139,  
Column = 24
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

   dern=xccc1d(n1xccc,ider+2)
                            ^
cf90-1640 f90fe: ERROR PSP4CC, File = psp4cc_cpp.f90, Line = 140,  
Column = 29
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

   der1=xccc1d(1,ider+2)
                       ^
cf90-1640 f90fe: ERROR PSP4CC, File = psp4cc_cpp.f90, Line = 150,  
Column = 24
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

   dern=xccc1d(n1xccc,ider+2)
                            ^
cf90-1640 f90fe: ERROR PSP4CC, File = psp4cc_cpp.f90, Line = 151,  
Column = 29
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

f90: Copyright Absoft Corporation 1994-2005; Absoft Fortran Compiler  
Version 9.2

/usr/bin/cpp  -Dmacosx -DFLOAT="double precision" -DPOINTER_SIZE=4 -P  
xredxcart.F90 > xredxcart_cpp.f90
f90  -w -O -f free -N11 -I../Lib_nanoquantaxc -c xredxcart_cpp.f90

    xcart(mu,iatom)=rprimd(mu,1)*xred(1,iatom)+rprimd(mu,2)*xred 
(2,iatom)+&
                                             ^
cf90-1640 f90fe: ERROR XREDXCART, File = xredxcart_cpp.f90, Line =  
78, Column = 46
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.
                                                                        
 ^
cf90-1640 f90fe: ERROR XREDXCART, File = xredxcart_cpp.f90, Line =  
78, Column = 73
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

&                   rprimd(mu,3)*xred(3,iatom)
                                             ^
cf90-1640 f90fe: ERROR XREDXCART, File = xredxcart_cpp.f90, Line =  
79, Column = 46
  Dummy arguments with the INTENT(OUT) attribute must be defined  
before use.

f90: Copyright Absoft Corporation 1994-2005; Absoft Fortran Compiler  
Version 9.2