connecting KIM Model Driver to LAMMPS

Dear Ryan and openKIM ,

I have used the MEAM_2NN model driver (https://openkim.org/dev-kim-item/MEAM_2NN__MD_111291751625_001#files) as a template by which I can implement my non-parameterized MEAM model. I was able to compile it in openKIM in the model_driver directory, and then I recompiled in openKIM and then recompiled LAMMPS. I made a simple testfcc.in file for nonangular interactions. I get the following errors in the .log file:

ERROR: Internal KIM error (…/pair_kim.cpp:1000)

So, I looked in the kim log file:

  • Error (KIM_API_model::get_model_kim_str): A problem occurred with the Model shared library file for Model name: MSMEAM_jsg

So, I am very confused. The MEAM_2NN model driver seems (after looking through the code) to not require a “model”, but only requires parameters. In the same way, my MEAM model driver only requires a file of tabulated fxns (which I have).

How can I get LAMMPS to look for the model driver? Do I need to make a model along with the model driver? If this is the case, then the necessary model might be gratuitous because my model driver has all the energy and forces equations, as well as the means to read the file with my tabulated fxns.

Or should I move my MEAM model driver into the models folder in KIM?

I’m basically having trouble getting LAMMPS to “connect” to my model driver, and I could use your guidance in this.

Thank you,
Josh

Hi Josh,

Take a look at:

https://openkim.org/cite/MO_117938381510_001

which is a “parameterized model” that uses the MEAM_2NN model driver. You’ll
need to create a similar model for use with your model driver.

Cheers,

Ryan