Problems with conda kim + lammps

OpenKIM
1

I’m trying to help a colleague use an OpenKIM model in LAMMPS. We decided the easiest approach seemed like installing OpenKIM with conda (since we have to have it for other things), which we did with the nearly trivial instructions at OpenKIM · Obtaining KIM Models · Interatomic Potentials and Force Fields

We then tried to add the model to lammps with make lib-kim args="-p /path/to/conda -a Glue_Ercolessi_Adams_Al__MO_324507536345_001". That fails with:

subprocess.CalledProcessError: Command '/home/Software/python/anaconda3/bin/kim-api-collections-management install system Glue_Ercolessi_Adams_Al__MO_324507536345_001' returned non-zero exit status 1.

Running the kim-api-collections-management command manually gives

*** ERROR *** Glue_Ercolessi_Adams_Al__MO_324507536345_001 found at openkim.org is not compatible with this version of the KIM API.

Is the conda version out of date or are we doing something else wrong

2

OK - I just realized that the problem is that the model is too old. If I go to its openkim web page that’s clear, but it’s not clear from the command line error message.

3

Hello,

Thanks for the comment. I’ve updated the error message to be more descriptive. The change is now in the development branch of the kim-api git repo and will be included in the next release of the package.

Cheers,
Ryan