ELSI 2.11.0-foss-2023a-PEXSI

ELSI provides and enhances scalable, open-source software library solutions for electronic structure calculations in materials science, condensed matter physics, chemistry, and many other fields. ELSI focuses on methods that solve or circumvent eigenvalue problems in electronic structure theory. The ELSI infrastructure should also be useful for other challenging eigenvalue problems.

Accessing ELSI 2.11.0-foss-2023a-PEXSI

To load the module for ELSI 2.11.0-foss-2023a-PEXSI please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load ELSI/2.11.0-foss-2023a-PEXSI

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 ELSI website.

Dependencies

This version of ELSI has a direct dependency on: ELPA/2023.05.001-foss-2023a foss/2023a NTPoly/3.1.0-foss-2023a

Required By

This version of ELSI is a direct dependent of: DFTB+/23.1-foss-2023a libmbd/0.12.6-foss-2023a

Last modified on 13th November 2024