Fallback libraries for ABINIT 10.6.3 (abinit-fallbacks-10.2.tar.gz)

Building Abinit
1

Hello,

I am trying to install ABINIT 10.6.3 with fallbacks in order to enable the LibXC and Wannier90 libraries.

After running configure and starting the compilation, I noticed that inside the fallbacks directory there is a file named:

abinit-fallbacks-10.2.tar.gz

This appears to correspond to fallbacks for ABINIT 10.2, not for version 10.6.3.

When I run:

./build-abinit-fallbacks.sh

the script extracts this archive and attempts to build fallbacks using the 10.2 configuration. During this process it tries to download the LIBXC source but fails with the following error:

configure: error: could not download LIBXC fallback tarball
Solution: disable support for LIBXC or download the tarball manually to
/sfihome/shima.sharifi/.abinit/tarballs

make: *** No rule to make target ‘install’. Stop.
We have detected a problem while generating fallbacks : contact Abinit’s team

I am therefore wondering:

  1. Why does the ABINIT 10.6.3 distribution contain abinit-fallbacks-10.2.tar.gz?
  2. Is there a fallback bundle corresponding to ABINIT 10.6.x?
  3. What is the recommended way to build fallbacks (LibXC, Wannier90, etc.) for ABINIT 10.6.3?

For reference, I am compiling on an HPC cluster using Intel 19.0, MKL, and OpenMPI.

Any guidance would be greatly appreciated.

Thank you so much in advance.

Shima

2

Hello,

You’re right, the fallback version has not been updated correctly in Abinit 10.6. We will correct this shortly. However, it doesn’t make much difference, and the 10.2 fallbacks should work just the same.

When configuring the fallbacks, the scripts will download the tarballs that it needs for each individual library (libxc, netcdf, etc.) and place them in the directory ~/.abinit/tarballs/. But it won’t download them if the tarballs are already available in this directory.

In your case, you are probably trying to compile on a computing node that doesn’t have internet access. One workaround would be to configure the fallbacks on the login node of your cluster (only configure, not build), so that the tarballs get downloaded.

To be explicit, suppose that you did

cd ~/abinit-10.6.3/
mkdir build
cd build
../configure
make

and that command fails because you did not have internet access. Then, on the login node where you do have internet, you would do

cd ~/abinit-10.6.3/build/fallbacks/abinit-fallbacks-10.2/
./configure

This will download all the packages. So then, on the compute node without internet access, you will be able to do

cd ~/abinit-10.6.3/build
make