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

[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
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