Hi ccardot,
First of all, I’ve never used Wannier before so take what I say with a grain of salt. Neverthless, tw90_1.abi works well for me using mpirun -n 4 abinit tw90_1.abi. (Assuming we copy the wannier file before running the command cp wannier90.win tw90_1o_DS2_w90.win)
- Wannier90 compilation
For the compilation of wannier90, I’ve used the gzipped-tar version 3.1.0 and make all. My make.inc had these lines as my linear algebra library is openblas :
F90 = mpifort
FCOPTS = -O2
LDOPTS = -O2
LIBDIR = /opt/OpenBLAS/lib
LIBS = -L$(LIBDIR) -lopenblas
- Abinit ac9
I have the version 10.0.3 of abinit instead of yours which is 10.0.9, although I don’t expect a minor version change to cause an error like this.
Abinit ac9 file doesn’t allow
with_wannier90=“$HOME/local” with
WANNIER90_LIBS=“$HOME/local/lib/libwannier.a”
which means the line with_wannier90 is ignored. Although unclear, this line indicate when this is happening :
configure:35503: WARNING: conflicting option settings for Wannier90
I recommend only using WANNIER90_LIBS=“$HOME/local/lib/libwannier.a”. I have not added anything else than this line to get Wannier running on my laptop.
- Question
If I understand correctly, the issue appears once wannier finished running, as if wannier didn’t properly exit and let abinit continue the simulation ?
Do other calculations without Wannier work well in parallel on your machine ?
Let me know if these information help for your problem.
Olivier