[package list]

ABINIT

License information

ABINIT is licensed under the GNU General Public License Version 3.

The full text is available on the ABINIT web site.

User-installable modules (and EasyConfigs)

Install with the EasyBuild-user module:

eb <easyconfig> -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider ABINIT/<version>.

EasyConfig:

• EasyConfig ABINIT-9.6.2-cpeGNU-21.12.eb, will build ABINIT/9.6.2-cpeGNU-21.12

Technical documentation

Abinit home page

General information

ABINIT is a software suite to calculate the optical, mechanical, vibrational, and other observable properties of materials. Starting from the quantum equations of density functional theory, you can build up to advanced applications with perturbation theories based on DFT, and many-body Green's functions (GW and DMFT).

ABINIT can calculate molecules, nanostructures and solids with any chemical composition, and comes with several complete and robust tables of atomic potentials.

• Abinit documentation
• Abinit tutorials

EasyBuild

• Abinit in the EasyBuilders repository
• Abinit in the CSCS repository

Abinit 9.6.2 from CPE GNU 21.08 and 21.12 on LUMI

Adapted from CSCS Easyconfig

Archived EasyConfigs

The EasyConfigs below are additonal easyconfigs that are not directly available on the system for installation. Users are advised to use the newer ones and these archived ones are unsupported. They are still provided as a source of information should you need this, e.g., to understand the configuration that was used for earlier work on the system.

• Archived EasyConfigs from LUMI-EasyBuild-contrib - previously user-installable software
  • EasyConfig ABINIT-9.6.2-cpeGNU-21.08.eb, with module ABINIT/9.6.2-cpeGNU-21.08