Libint 2.6.0-iompi-2021a-lmax-6-cp2k

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 2.6.0-iompi-2021a-lmax-6-cp2k

To load the module for Libint 2.6.0-iompi-2021a-lmax-6-cp2k please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load Libint/2.6.0-iompi-2021a-lmax-6-cp2k

BEAR Apps Version

2021a

Architectures

EL8-cascadelake — EL8-haswell — EL8-icelake

The listed architectures consist of two part: OS-CPU.

  • BlueBEAR: The OS used on BlueBEAR 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.
  • BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.

More Information

For more information visit the Libint website.

Dependencies

This version of Libint has a direct dependency on: iompi/2021a

Required By

This version of Libint is a direct dependent of: CP2K/9.1-iomkl-2021a

Other Versions

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

Last modified on 12th April 2022