I need netcdf output files, KSS.nc and WFK.nc, from Abinit calculations.
So, I tried to compile Abinit9.4.1 with netcdf support.
I used MPT for MPI. I first tried the options,
./configure --enable-netcdf-default --enable-mpi-io
When I run Abinit, I got information of
“- Creating netcdf file WITHOUT MPI-IO support: AlAso_DS2_KSS.nc”
in the log file, and the calculation did NOT complete.
Is MPT NOT compatible to mpi-io feature of the application?
I then tried the option,
Configure gave error message of
“configure: WARNING: unrecognized options: --with-trio-flavor”
My question is,
what are the options to support netcdf outputs in Abinit 9.4.1 compilation?
Hi @jjiang ! Since abinit v9 netcdf is actually mandatory. You can link against the netcdf library by using the following flags: --with-netcdf=path/to/netcdf-c/build --with-netcdf-fortran=path/to/netcdf-fortran/build --with-hdf5=path/to/hdf5/build.