ABINIT Discussion Forums

Posted: **Wed Jun 10, 2020 5:20 pm**

Hello

In version 8.x, it was possible to let ABINIT build the required fallbacks.
How can I achieve the same behavior in version 9.x?
Adding "--with-fallbacks" and just writing "--with-libxc" (without specifying a LibXC directory) obviously doesn't work, since configure complains at the end.

+------------------------------------------------------------------+
| WARNING : LibXC is not WORKING ! |
+------------------------------------------------------------------+
| Please point the configuration to a working libXC installation |
+------------------------------------------------------------------+

And the option "--with-tardir" as advertised on https://www.abinit.org/fallbacks is no longer recognized.

Thanks!

Kind regards
Stefan

Posted: **Thu Jun 11, 2020 9:49 pm**

Hi,
In Abinit 9, the fallbacks need to be compiled separately. From the top abinit directory, you would do something like

Code: Select all

cd fallbacks
tar -xf abinit-fallbacks-9.0.tar.gz
cd abinit-fallbacks-9.0.2
mkdir build
cd build
../configure CC=mpicc CXX=mpicxx FC=mpif90 --disable-libpsml   --disable-xmlf90     --disable-wannier90  --disable-atompaw --disable-bigdft
make

Depending on your platform, you might need to specify more options to the configure script. For example, I add the options

Code: Select all

 --prefix=/path/to/abinit/fallbacks/abinit-fallbacks-9.0.2/build/install --with-hdf5=/path/to/abinit/fallbacks/abinit-fallbacks-9.0.2/build/install/hdf5/default/

The first flag ensures that the files are kept in the current directory (rather than system-wide), and the second flag specifies that hdf5 should be taken from the one being compiled and not from the environment (not sure why this is not the default behavior).

ABINIT Discussion Forums

9.0.4: how to build fallbacks automatically?

9.0.4: how to build fallbacks automatically?

Re: 9.0.4: how to build fallbacks automatically? [SOLVED]