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

[Guntram Schmidt]

Dear Muhammad Zafar,

have you removed the

FFLAGS = -O3

and used the linux-proposed:

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

in each makefile?
In my case, this was important.

Good luck,
Guntram


Am 13.07.2011 13:22, schrieb zafar rasheed:
>
>
>
>     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
>
>
>
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