There is a newer version of kim-apiOpen 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 2.1.3-foss-2020a
To load the module for kim-api 2.1.3-foss-2020a please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):
module load kim-api/2.1.3-foss-2020a
There is a GPU enabled version of this module: kim-api 2.1.3-fosscuda-2020a
BEAR Apps Version
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 kim-api website.
This version of kim-api has a direct dependency on: CMake/3.16.4-GCCcore-9.3.0 foss/2020a
This version of kim-api is a direct dependent of: LAMMPS/3Mar2020-foss-2020a-Python-3.8.2-kokkos LAMMPS/29Oct2020-foss-2020a-Python-3.8.2-kokkos
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.
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Last modified on 30th November 2020