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
9.0.4: how to build fallbacks automatically? [SOLVED]
Moderators: fgoudreault, mcote
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Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
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Re: 9.0.4: how to build fallbacks automatically? [SOLVED]
Hi,
In Abinit 9, the fallbacks need to be compiled separately. From the top abinit directory, you would do something like
Depending on your platform, you might need to specify more options to the configure script. For example, I add the options
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).
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
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/
Gabriel Antonius
Université du Québec à Trois-Rivières
Université du Québec à Trois-Rivières