kim-api

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.

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session with the following command:

srun --pty bash -i

A version of kim-api can then be made available with one of the following:

module load kim-api/2.3.0-GCCcore-11.2.0
module load kim-api/2.2.1-GCCcore-10.3.0
module load kim-api/2.1.3-foss-2020a
module load kim-api/2.1.3-intel-2020a

Notes

kim-api was installed using Easybuild, build details can be found in $EBROOTKIMMINAPI/easybuild with a given module loaded.

Dependencies for latest version of kim-api