[Pw_forum] phonon_dos.x not created........

[Guntram Schmidt]

Thanks a lot - this works!

Phonon_DOS/makefile:
.SUFFIXES: .f .o
FC = /usr/bin/gfortran-4.3 #ifort
LD = $(FC) #-static
DOS  = phonon_dos.x
TET  = tetra.x

#Linux
# FFLAGS = -O3 -ffast-math -fno-f2c

FFLAGS = -O3
....

Debye/makefile
.SUFFIXES: .f90 .f .o
FC = /usr/bin/gfortran-4.3
LD = $(FC) #-static
Debye_x = Debye.x

FFLAGS = -O3
...

SRC/makefile
.SUFFIXES: .f90 .o
FC = /usr/bin/gfortran-4.3
LD = $(FC) #-static
...

The only errors I get when compiling are:
----------------------------------
Debye.f90:144.9:

      do T = T_low_start, T_low, T_low_delta
         1
Warning: Deleted feature: Loop variable at (1) must be integer
---------------------------------
at different positions in different files.
Seems to work, nevertheless - but as I don't have the results to compare 
the results.

For the examples, don't forget to edit "Edit_Me" in every folder and add 
the ' :

     flfrc='$FC_file',

Good luck!


Am 14.07.2011 08:24, schrieb GAO Zhe:
> I compiled QHA in this way and successed. This is the biggining of
> makefile in my Phonon_DOS folder:
> .SUFFIXES: .f .o
> FC = mpif90#ifort
> LD = $(FC)#-static
> DOS = phonon_dos.x
> TET = tetra.x
> #Linux
> #FFLAGS = -O3 -ffast-math -fno-f2c
> FFLAGS = -O3
> OBJ1 = phonon_dos.o k_brillouin.o generate_tetra.o det3.o det4.o \
> Tetrahedra.o Integration.o
> .......
> --
> GAO Zhe
> CMC Lab, MSE, SNU, Seoul, S.Korea
>
> At 2011-07-13 19:22:09£¬"zafar rasheed" <zafartariq2003 at yahoo.com> wrote:
>
>
>
>
>         Dear Users
>         I want to use QHA for thermodynamic properties. I change fortran
>         compiler ifort to gfortran (fedora core 7)in makefiles of
>         Debay,Include,Phonon_Dos,SRC diretories . This change creates
>         all *.x files except Phonon_dos.x .
>         The process after compilation is as follows
>         ¡¡
>         [root at localhost QHA]# ./Compile
>         gfortran -O3 -c tetra.f
>         gfortran -O3 -c k_brillouin.f
>         gfortran -O3 -c generate_tetra.f
>         In file generate_tetra.f:84
>         IF(S-.0001)3,3,1
>         1
>         Warning: Obsolete: arithmetic IF statement at (1)
>         gfortran -O3 -c det3.f
>         gfortran -O3 -c det4.f
>         gfortran -static -o tetra.x tetra.o k_brillouin.o
>         generate_tetra.o det3.o det4.o
>         gfortran -O3 -c phonon_dos.f
>         In file phonon_dos.f:122
>         open(unit=8,file='PHDOS.out',access='sequential',form='formatted'
>         1
>         Error: Syntax error in OPEN statement at (1)
>         make: *** [phonon_dos.o] Error 1
>         gfortran -O3 -c Debye.f90
>         In file Debye.f90:144
>         do T = T_low_start, T_low, T_low_delta
>         1
>         Warning: Obsolete: REAL DO loop iterator at (1)
>         In file Debye.f90:177
>         do T = T_low+5, T_high, T_high_delta
>         1
>         Warning: Obsolete: REAL DO loop iterator at (1)
>         gfortran -O3 -c Debye_T.f
>         gfortran -O3 -c debye3.f
>         gfortran -O3 -c cheval.f
>         gfortran -O3 -c d1mach.f
>         gfortran -static -o Debye.x Debye.o Debye_T.o debye3.o cheval.o
>         d1mach.o
>         gfortran -FR -c Mean_square_displacement.f90
>         In file Mean_square_displacement.f90:162
>         do T=T_start,T_end,T_delta
>         1
>         Warning: Obsolete: REAL DO loop iterator at (1)
>         gfortran -static -o Mean_square_displacement.x
>         Mean_square_displacement.o
>         gfortran -FR -c Atom_projected_properties.f90
>         In file Atom_projected_properties.f90:180
>         do T=T_start, T_end, T_delta
>         1
>         Warning: Obsolete: REAL DO loop iterator at (1)
>         gfortran -static -o Atom_projected_properties.x
>         Atom_projected_properties.o
>         gfortran -FR -c F_QHA.f90
>         In file F_QHA.f90:134
>         do T=T_start,T_end,T_delta
>         1
>         Warning: Obsolete: REAL DO loop iterator at (1)
>         gfortran -static -o F_QHA.x F_QHA.o
>         gfortran -FR -c Ghost_DOS.f90
>         gfortran -static -o Ghost_DOS.x Ghost_DOS.o
>         gfortran -FR -c Partial_phonon_DOS.f90
>         gfortran -static -o Partial_phonon_DOS.x Partial_phonon_DOS.o
>         gfortran -FR -c atom_info.f90
>         gfortran -static -o atom_info.x atom_info.o
>         ¡¡
>
>         Muhammad Zafar
>         PhD Scholar
>         Department of Physics
>         The Islamia University of Bahawalpur,Pakistan
>
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum