[Pw_forum] QE 4.0.2: configure error

[Sangamesh B]

On Tue, Oct 21, 2008 at 3:25 PM, Paolo Giannozzi <giannozz at democritos.it> wrote:
> Sangamesh B wrote:
>
>> Added -D_GFORTRAN. Still the error persists:
>>
>> /lib/cpp -P --traditional -D__EKO -D__FFTW -D__USE_INTERNAL_FFTW
>> -D__MPI -D__PARA -I../include  pwscf.f90 -o pwscf.F90
>
> must be added above, not below ...
>
Added here:

DFLAGS         =  -D__EKO -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI
-D__PARA -D_GFORTRAN
FDFLAGS        = $(DFLAGS)

......
CFLAGS         = -O3 $(DFLAGS) $(IFLAGS)
F90FLAGS       = $(FFLAGS) $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
FFLAGS         = -march=auto -O2

.....

Error still persists:

ar: creating ptools.a
a - blockset.o
a - flush_unit.o
a - gridsetup.o
a - ilcm.o
a - indxg2l.o
a - indxg2p.o
a - indxl2g.o
a - infog1l.o
a - infog2l.o
a - localdim.o
a - localindex.o
a - npreroc.o
a - numroc.o
a - ownerof.o
ranlib ptools.a
make[1]: Leaving directory `/opt/espresso-4.0.2/flib'
if test -d PW ; then \
( cd PW ; if test "make" = "" ; then make  TLDEPS= all ; \
else make  TLDEPS= all ; fi ) ; fi
make[1]: Entering directory `/opt/espresso-4.0.2/PW'
test -n "" && ( cd .. ; make -w  || exit 1) || :
/lib/cpp -P --traditional -D__EKO -D__FFTW -D__USE_INTERNAL_FFTW
-D__MPI -D__PARA -D_GFORTRAN -I../include  noncol.f90 -o noncol.F90
mpif90 -march=auto -O2 -D__EKO -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI
-D__PARA -D_GFORTRAN -I../include  -I./  -I../Modules  -I../iotk/src
-I../PW  -I../PH -c noncol.F90 -o noncol.o
/lib/cpp -P --traditional -D__EKO -D__FFTW -D__USE_INTERNAL_FFTW
-D__MPI -D__PARA -D_GFORTRAN -I../include  pwscf.f90 -o pwscf.F90

........
MODULE scf
       ^
pathf95-855 pathf90: ERROR SCF, File = scf_mod.F90, Line = 10, Column = 8
  The compiler has detected errors in module "SCF".  No module
information file will be created for this module.

     REAL(DP),   allocatable :: of_r(:,:)  ! the charge density in R-space
                 ^
.......
pathf95-190 pathf90: ERROR SCF, File = scf_mod.F90, Line = 60, Column = 34
  Component "BEC" does not have a POINTER attribute so its dimension
must be an explicit-shape array with constant bounds.

pathf95: PathScale(TM) Fortran Version 2.4 (f14) Tue Oct 21, 2008  16:06:37
pathf95: 677 source lines
pathf95: 21 Error(s), 0 Warning(s), 0 Other message(s), 0 ANSI(s)
pathf95: "explain pathf95-message number" gives more information about
each message
make[1]: *** [scf_mod.o] Error 2
make[1]: Leaving directory `/opt/espresso-4.0.2/PW'
make: *** [pw] Error 2


Thanks,
Sangamesh

>> mpif90 -march=auto -O2 -D__EKO -D__FFTW -D__USE_INTERNAL_FFTW -D__MPI
>> -D__PARA -I../include  -I./  -I../Modules  -I../iotk/src -I../PW
>> -I../PH -D__GFORTRAN -c pwscf.F90 -o pwscf.o
>
> ...where it is useless, since your compiler doesn't perform
> preprocessing. It must be added to DFLAGS in make.sys
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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