[Pw_forum] QHA compilation

[Axel Kohlmeyer]

On Nov 20, 2014 2:41 AM, "PRATIK DAS" <pratikdas63 at gmail.com> wrote:
>
> Dear everybody,
>  I want to compile QHA package in Quantum espresso. I have only gfortran
installed. So I modified the make files and replace ifort by gfortran. Now
when I ran the Compile script, it is giving me the following error. Can
anyone help me out of this problem. Actually I'm a newbie in linux.

The first issue can be solved by deleting the -static flag in the makefile.
The second issue requires correcting the fortan code that is violating the
fortran standard as indicated by the error messages.

Axel.

>
> Thanking you in advance.
>
> Pratik Kumar Das
> JRF,
> Jadavpur University
> Kolkata-700032
> INDIA
>
> [pratik at localhost QHA]$ ./Compile
> 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
> /usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lm
> /usr/bin/ld: cannot find -lquadmath
> /usr/bin/ld: cannot find -lm
> /usr/bin/ld: cannot find -lc
> collect2: error: ld returned 1 exit status
> make: *** [tetra] Error 1
> 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
> /usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lm
> /usr/bin/ld: cannot find -lquadmath
> /usr/bin/ld: cannot find -lm
> /usr/bin/ld: cannot find -lc
> collect2: error: ld returned 1 exit status
> make: *** [Debye_x] Error 1
> 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
> /usr/bin/ld: cannot find -lgfortran
> /usr/bin/ld: cannot find -lm
> /usr/bin/ld: cannot find -lquadmath
> /usr/bin/ld: cannot find -lm
> /usr/bin/ld: cannot find -lc
> collect2: error: ld returned 1 exit status
> make: *** [MSD] Error 1
> ln: failed to create symbolic link ‘tetra.x’: File exists
> ln: failed to create symbolic link ‘phonon_dos.x’: File exists
> ln: failed to create symbolic link ‘Debye.x’: File exists
> ln: failed to create symbolic link ‘Atom_projected_properties.x’: File
exists
> ln: failed to create symbolic link ‘F_QHA.x’: File exists
> ln: failed to create symbolic link ‘Ghost_DOS.x’: File exists
> ln: failed to create symbolic link ‘Partial_phonon_DOS.x’: File exists
> ln: failed to create symbolic link ‘Mean_square_displacement.x’: File
exists
> ln: failed to create symbolic link ‘atom_info.x’: File exists
>
>
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