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):
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module load bear-apps/2023a
module load Multiwfn/3.8_dev-iimkl-2023a
BEAR Apps Version
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 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