ABINIT Discussion Forums

Hello all,

I am trying to use the Z2Pack code (the details can be found here - http://z2pack.ethz.ch/doc/2.1/index.html) and in order to do so, it requires Wannier90 installed with Abinit. Since Z2Pack requires a modified Wannier90 file, I copied this modified version in ~/.abinit/tarballs, and replaced all the instances of old checksum in ~/abinit-8.4.4/fallbacks/configure with new checksum of the modified version. However, after compiling with a configuration file and using "prtwant 2" in one of the input files, I get the following error:

--- !ERROR
src_file: chkinp.F90
src_line: 2515
mpi_rank: 0
message: |
prtwant==2 is only relevant if wannier90 library is linked
Action: check compilation options

Here is my .ac file and I have attached the config.log file as well.

prefix="/usr/local"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/usr"
#with_trio_flavor="netcdf+etsf_io"
with_netcdf_incs="-I/usr/include"
with_netcdf_libs="-L/usr/lib -lnetcdf -lnetcdff"
with_fft_flavor="fftw3"
with_fft_incs="-I/usr/include/"
with_fft_libs="-L/usr/lib/x86-64-linux-gnu/ -lfftw3 -lfftw3f"
with_linalg_flavor="atlas"
with_linalg_libs="-L/usr/lib -llapack -lf77blas -lcblas -latlas"
with_dft_flavor="atompaw+bigdft+libxc"
enable_wannier90="yes"
enable_gw_dpc="yes"

I am not sure what went exactly wrong with the compilation process, and I was hoping that someone could provide assistance on the matter.

Thank you

You should use the option:

Hello all,

I am using Abinit 8.6.3 and I am also having the same problem with wannier90 when I set prtwant==2. As mentioned here, I tried the option: "with_dft_flavor=libxc+wannier90" but this does not solve the problem. Could anyone describe step by step what has to be done?

Alexander