[Pw_forum] compilation QHA code

GAO Zhe flux_ray12 at 163.com
Tue Oct 11 13:57:40 CEST 2011


You problem came from here:

fortran -FR -c  Mean_square_displacement.f90
make: fortran: Command not found
Check carefully for each "makefile" and make sure that all of the compiler name is cerect. Moreover, it is suggeted to use ifort or other fortran compiler rather than gfortran for QHA, since gfortran does not support un-integer as step-length in loop.




--
GAO Zhe
CMC Lab, MSE, SNU, Seoul, S.Korea


At 2011-10-11 18:50:47,"bhabya sahoo" <bdslipun at gmail.com> wrote:
when i compile QHA the error gives










gfortan -O3  -c  tetra.f
make: gfortan: Command not found
make: *** [tetra.o] Error 127
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 
fortran -FR -c  Mean_square_displacement.f90
make: fortran: Command not found
make: *** [Mean_square_displacement.o] Error 127
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
bds at Planck:~/bhabya/espresso-4.3/QHA$ 






what should i do






b d sahoo  reserch scholar
barc
mumbai
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