CheMPS2 1.8.12-foss-2023a

CheMPS2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry.

Accessing CheMPS2 1.8.12-foss-2023a

To load the module for CheMPS2 1.8.12-foss-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load CheMPS2/1.8.12-foss-2023a

BEAR Apps Version

2023a

Architectures

EL8-cascadelake — EL8-emr — EL8-icelake — EL8-sapphirerapids

The listed architectures consist of two parts: 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 CheMPS2 website.

Dependencies

This version of CheMPS2 has a direct dependency on: foss/2023a HDF5/1.14.0-gompi-2023a

Required By

This version of CheMPS2 is a direct dependent of: PSI4/1.9.1-foss-2023a

Last modified on 28th February 2025