Libint 2.7.2-GCC-12.3.0-lmax-6-cp2k

There is a newer install of Libint

Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory.

Accessing Libint 2.7.2-GCC-12.3.0-lmax-6-cp2k

To load the module for Libint 2.7.2-GCC-12.3.0-lmax-6-cp2k please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load Libint/2.7.2-GCC-12.3.0-lmax-6-cp2k

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 Libint website.

Dependencies

This version of Libint has a direct dependency on: GCC/12.3.0

Required By

This version of Libint is a direct dependent of: CP2K/2024.3-foss-2023a-CUDA-12.1.1 CP2K/2024.3-foss-2023a

Other Versions

These versions of Libint 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 28th November 2024