OpenMolcas 24.10-intel-2023a

There is a newer install of OpenMolcas

OpenMolcas is a quantum chemistry software package.

Accessing OpenMolcas 24.10-intel-2023a

To load the module for OpenMolcas 24.10-intel-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load OpenMolcas/24.10-intel-2023a

BEAR Apps Version

2023a

Architectures

EL8-emeraldrapids — 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 OpenMolcas website.

Dependencies

This version of OpenMolcas has a direct dependency on: GlobalArrays/5.8.2-intel-2023a HDF5/1.14.0-iimpi-2023a intel/2023a libxc/6.2.2-intel-compilers-2023.1.0 lxml/4.9.2-GCCcore-12.3.0 Python/3.11.3-GCCcore-12.3.0 Python-bundle-PyPI/2023.06-GCCcore-12.3.0

Other Versions

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

Last modified on 29th January 2025