ABINIT 9.10.5-intel-2022a

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 9.10.5-intel-2022a

To load the module for ABINIT 9.10.5-intel-2022a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2022a
module load ABINIT/9.10.5-intel-2022a

BEAR Apps Version

2022a

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: HDF5/1.12.2-iimpi-2022a intel/2022a libxc/5.2.3-intel-compilers-2022.1.0 netCDF/4.9.0-iimpi-2022a netCDF-Fortran/4.6.0-iimpi-2022a Wannier90/3.1.0-intel-2022a

Last modified on 11th March 2024