SHARC 3.0.2-foss-2023a

Surface Hopping including Arbitrary Couplings

Accessing SHARC 3.0.2-foss-2023a

To load the module for SHARC 3.0.2-foss-2023a please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load bear-apps/2023a
module load SHARC/3.0.2-foss-2023a

BEAR Apps Version

2023a

Architectures

EL8-cascadelake — 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 SHARC website.

Dependencies

This version of SHARC has a direct dependency on: foss/2023a h5py/3.9.0-foss-2023a HDF/4.2.16-2-GCCcore-12.3.0 HDF5/1.14.0-gompi-2023a imkl/2023.1.0-gompi-2023a matplotlib/3.7.2-gfbf-2023a netCDF/4.9.2-gompi-2023a Python/3.11.3-GCCcore-12.3.0 Python-bundle-PyPI/2023.06-GCCcore-12.3.0 PyYAML/6.0-GCCcore-12.3.0 SciPy-bundle/2023.07-gfbf-2023a

Last modified on 3rd February 2025