[Pw_forum] compilation in QHA

[bhabya sahoo]

gfortran -O3  -c  tetra.f
gfortran -O3  -c  k_brillouin.f
gfortran -O3  -c  generate_tetra.f
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
gfortran -O3  -c  Tetrahedra.f
gfortran -O3  -c  Integration.f
Integration.f:111.72:

     * 13X,"g_y",13X,"g_z")')
                                                                        1
Warning: Extension: Tab character in format at (1)
gfortran -static phonon_dos.o k_brillouin.o generate_tetra.o  det3.o det4.o
Tetrahedra.o Integration.o   -o phonon_dos.x
gfortran -O3   -c  Debye.f90
Debye.f90:144.8:

     do T = T_low_start, T_low, T_low_delta
        1
Warning: Deleted feature: Loop variable at (1) must be integer
Debye.f90:144.11:

     do T = T_low_start, T_low, T_low_delta
           1
Warning: Deleted feature: Start expression in DO loop at (1) must be integer
Debye.f90:144.24:

     do T = T_low_start, T_low, T_low_delta
                        1
Warning: Deleted feature: End expression in DO loop at (1) must be integer
Debye.f90:144.31:

     do T = T_low_start, T_low, T_low_delta
                               1
Warning: Deleted feature: Step expression in DO loop at (1) must be integer
Debye.f90:177.4:

 do T = T_low+5, T_high, T_high_delta
    1
Warning: Deleted feature: Loop variable at (1) must be integer
Debye.f90:177.7:

 do T = T_low+5, T_high, T_high_delta
       1
Warning: Deleted feature: Start expression in DO loop at (1) must be integer
Debye.f90:177.16:

 do T = T_low+5, T_high, T_high_delta
                1
Warning: Deleted feature: End expression in DO loop at (1) must be integer
Debye.f90:177.24:

 do T = T_low+5, T_high, T_high_delta
                        1
Warning: Deleted feature: Step expression in DO loop at (1) must be integer
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
Mean_square_displacement.f90:162.7:

    do T=T_start,T_end,T_delta
       1
Warning: Deleted feature: Loop variable at (1) must be integer
gfortran -static -o Mean_square_displacement.x Mean_square_displacement.o
gfortran -FR -c  Atom_projected_properties.f90
Atom_projected_properties.f90:180.7:

    do T=T_start, T_end, T_delta
       1
Warning: Deleted feature: Loop variable at (1) must be integer
Atom_projected_properties.f90:180.9:

    do T=T_start, T_end, T_delta
         1
Warning: Deleted feature: Start expression in DO loop at (1) must be integer
Atom_projected_properties.f90:180.17:

    do T=T_start, T_end, T_delta
                 1
Warning: Deleted feature: End expression in DO loop at (1) must be integer
Atom_projected_properties.f90:180.24:

    do T=T_start, T_end, T_delta
                        1
Warning: Deleted feature: Step expression in DO loop at (1) must be integer
gfortran -static -o Atom_projected_properties.x Atom_projected_properties.o

gfortran -FR -c  F_QHA.f90
F_QHA.f90:134.7:

    do T=T_start,T_end,T_delta
       1
Warning: Deleted feature: Loop variable at (1) must be integer
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
ln: creating symbolic link `tetra.x': File exists
ln: creating symbolic link `phonon_dos.x': File exists
ln: creating symbolic link `Debye.x': File exists
ln: creating symbolic link `Atom_projected_properties.x': File exists
ln: creating symbolic link `F_QHA.x': File exists
ln: creating symbolic link `Ghost_DOS.x': File exists
ln: creating symbolic link `Partial_phonon_DOS.x': File exists
ln: creating symbolic link `Mean_square_displacement.x': File exists
ln: creating symbolic link `atom_info.x': File exists




when i want to confuger QHA code warning comes with gfortran compiler
i have no ifort so how i shall remove thoes warnings
is it ok because example files are not running
the error looks like this

./run_Phonon_DOS.sh
****** input tetrahedra for BZ-integration ******
   6   3  12
  0.000000  0.000000  0.000000
  0.750000  0.750000  0.000000
  1.000000  0.500000  0.000000
  0.500000  0.500000  0.500000
  1.000000  0.000000  0.000000
  1.000000  0.250000  0.250000
****** input tetrahedra for BZ-integration ******
********************** generate_tetra *********************
  NT0=           3  NTETMX=        1728
    0.0000   0.7500   1.0000   0.5000
    0.0000   0.7500   0.5000   0.5000
    0.0000   0.0000   0.0000   0.5000
    1.0000   1.0000   1.0000   1.0000
  volume of tetrahedron =  0.03125
    0.0000   1.0000   1.0000   1.0000
    0.0000   0.5000   0.0000   0.2500
    0.0000   0.0000   0.0000   0.2500
    1.0000   1.0000   1.0000   1.0000
  volume of tetrahedron =  0.02083
    0.0000   1.0000   0.5000   1.0000
    0.0000   0.5000   0.5000   0.2500
    0.0000   0.0000   0.5000   0.2500
    1.0000   1.0000   1.0000   1.0000
  volume of tetrahedron =  0.03125
  total volume of BZ is =   0.0833  omg48=  24.0000
****************** end of generate_tetra ******************
 Recalculating omega(q) from C(R)
Cannot match namelist object name alas444.fc
STOP 2
head: cannot open `frequency' for reading: No such file or directory
head: cannot open `frequency' for reading: No such file or directory
(standard_in) 1: syntax error
At line 27 of file Partial_phonon_DOS.f90 (unit = 5, file = 'stdin')
Fortran runtime error: Bad integer for item 1 in list input
./run_Phonon_DOS.sh: line 204: frequency: No such file or directory
At line 6 of file atom_info.f90 (unit = 5, file = 'stdin')
Fortran runtime error: Bad integer for item 1 in list input
At line 58 of file Atom_projected_properties.f90 (unit = 9, file =
'projected.DOS')
Fortran runtime error: End of file
At line 66 of file Mean_square_displacement.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file
mv: cannot stat `Displacements': No such file or directory
At line 6 of file atom_info.f90 (unit = 5, file = 'stdin')
Fortran runtime error: Bad integer for item 1 in list input
At line 58 of file Atom_projected_properties.f90 (unit = 9, file =
'projected.DOS')
Fortran runtime error: End of file
At line 66 of file Mean_square_displacement.f90 (unit = 5, file = 'stdin')
Fortran runtime error: End of file
mv: cannot stat `Displacements': No such file or directory
At line 75 of file Debye.f90 (unit = 10, file = 'PHDOS.out')
Fortran runtime error: End of file
At line 92 of file F_QHA.f90 (unit = 1, file = 'PHDOS.out')
Fortran runtime error: End of file
Phonon DOS and Quasiharmonic calculations have finished.
Now you can analyse these data using Gnuplot or xmgrace
Enjoy!




b d sahoo barc
mumbai
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