CASTEP 22.11-foss-2021bCASTEP is a leading code for calculating the properties of materials from first principles.
Accessing CASTEP 22.11-foss-2021b
To load the module for CASTEP 22.11-foss-2021b please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load bear-apps/2021b
module load CASTEP/22.11-foss-2021b
BEAR Apps Version
EL8-cascadelake — EL8-haswell — EL8-icelake
The listed architectures consist of two part: OS-CPU.
- BlueBEAR: The OS used on BlueBEAR 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.
- BEAR and CaStLeS Cloud VMs: These VMs can have one of two OSes. Those with access to a BEAR Cloud or CaStLeS VM should check that the listed architectures for an application include the OS of VM being used. The VMs, irrespective of OS, will use the haswell CPU type.
For more information visit the CASTEP website.
This version of CASTEP has a direct dependency on: foss/2021b Perl/5.34.0-GCCcore-11.2.0 Python/3.9.6-GCCcore-11.2.0
These versions of CASTEP are available on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.
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Last modified on 4th January 2023