CASTEP 24.1-foss-2022b
There is a newer install of CASTEP
CASTEP is a leading code for calculating the properties of materials from first principles.Accessing CASTEP 24.1-foss-2022b
To load the module for CASTEP 24.1-foss-2022b please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):
📋
module load bear-apps/2022b
module load CASTEP/24.1-foss-2022b
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 CASTEP website.
Dependencies
This version of CASTEP has a direct dependency on: foss/2022b Perl/5.36.0-GCCcore-12.2.0 Python/3.10.8-GCCcore-12.2.0 SciPy-bundle/2023.02-gfbf-2022b
Other Versions
These versions of CASTEP are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.
| Version | BEAR Apps Version |
|---|---|
| 24.1-foss-2023a | 2023a |
| 22.11-foss-2021b | 2021b |
| 16.1-foss-2019a | 2019a |
| 16.1-foss-2018b | 2018b |
Last modified on 9th May 2024