Multiwfn 3.8_dev-iimkl-2023a

Multiwfn is a powerful program for realizing electronic wavefunction analysis, which is a key ingredient of quantum chemistry.

Accessing Multiwfn 3.8_dev-iimkl-2023a

To load the module for Multiwfn 3.8_dev-iimkl-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load Multiwfn/3.8_dev-iimkl-2023a

BEAR Apps Version

2023a

Architectures

EL8-cascadelakeEL8-icelakeEL8-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 Multiwfn website.

Dependencies

This version of Multiwfn has a direct dependency on: iimkl/2023a Meson/1.3.1-GCCcore-12.3.0 motif/2.3.8-GCCcore-12.3.0

Last modified on 28th November 2024