Compatibility of models available at openkim.org with the kim api versions

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Avadhoot Sinkar

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Nov 1, 2019, 1:24:41 PM11/1/19

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Hello all,

I am quite new to using potential models from the kim repository. I have installed the kim api version 2.1.2 and build lammps with the kim package. I wish to use the following model

MEAM_2NN_Fe_to_Ga__MO_145522277939_001. However, as I tried to obtain the kim model I got an error stating

*** ERROR *** MEAM_2NN_Fe_to_Ga__MO_145522277939_001 found at openkim.org is not compatible with this version of the KIM API.

I am able to obtain potential models with API version 2 and above

I could see that the version of API mentioned with this model is 1.6.

Thus, I wished to confirm whether the issue with compatibility is due to the version of API or some other reason.

Thanks in advance

Daniel Karls

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Nov 1, 2019, 2:12:50 PM11/1/19

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Hi Avadhoot,

The incompatibility is indeed because that model was designed for KIM API 1.6 and you have KIM API 2.1.2 installed (the API follows the semantic versioning convention, so a change in the major version number indicates a backwards-incompatible change). I recall starting to create a KIM API v2-compatible version of this model some time ago, but stalled when I ran into some strange memory leak issues (that may or may not have been caused by a gfortran bug). Probably the fastest way to get this into our system is as a Simulator Model since it appears to be supported by the existing "meam/c" pair style in LAMMPS, but I haven't used it myself so will have to look into it.