ABINIT 10.2.5-intel-2023a

ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis.

Accessing ABINIT 10.2.5-intel-2023a

To load the module for ABINIT 10.2.5-intel-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load ABINIT/10.2.5-intel-2023a

BEAR Apps Version

2023a

Architectures

EL8-cascadelake — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two part: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

More Information

For more information visit the ABINIT website.

Dependencies

This version of ABINIT has a direct dependency on: HDF5/1.14.0-iimpi-2023a intel/2023a libxc/6.2.2-intel-compilers-2023.1.0 netCDF/4.9.2-iimpi-2023a netCDF-Fortran/4.6.1-iimpi-2023a Wannier90/3.1.0-intel-2023a

Other Versions

These versions of ABINIT are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 6th January 2025