kim-api 2.2.1-GCCcore-10.3.0

Open Knowledgebase of Interatomic Models. KIM is an API and OpenKIM is a collection of interatomic models (potentials) for atomistic simulations. This is a library that can be used by simulation programs to get access to the models in the OpenKIM database. This EasyBuild only installs the API, the models can be installed with the package openkim-models, or the user can install them manually by running kim-api-collections-management install user MODELNAME or kim-api-collections-management install user OpenKIM to install them all.

Accessing kim-api 2.2.1-GCCcore-10.3.0

To load the module for kim-api 2.2.1-GCCcore-10.3.0 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load kim-api/2.2.1-GCCcore-10.3.0

BEAR Apps Version

2021a

Architectures

EL8-cascadelakeEL8-haswellEL8-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.

More Information

For more information visit the kim-api website.

Dependencies

This version of kim-api has a direct dependency on: CMake/3.20.1-GCCcore-10.3.0 GCCcore/10.3.0

Required By

This version of kim-api is a direct dependent of: LAMMPS/29Sep2021-foss-2021a-CUDA-11.3.1-kokkos LAMMPS/29Sep2021-foss-2021a-kokkos

Other Versions

These versions of kim-api 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.

Last modified on 4th February 2022