Question on ERROR: KIM ModelCreate failed (src/KIM/pair_kim.cpp:840)

OpenKIM
1

Hi I am very new to molecular dynamics simulation and trying to learn how to use openkim sources.

ERROR: KIM ModelCreate failed (src/KIM/pair_kim.cpp:840)

Last command: pair_style kim Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001

This is the error that I am getting. I have checked that I have installed the shown potential.

qe5210@Eugenes-MacBook-Pro ~ % kim-api-collections-management list

Knowledgebase of Interatomic Models (KIM) — Model Collections Listing

kim-api :
kim-api 2.4.1+AppleClang.AppleClang.GNU
kim-api-uid :
2.4.1+AppleClang.AppleClang.GNU.2025-07-24-16-02-11

kim-api configuration file:
/Users/sqe5210/.kim-api/2.4.1+AppleClang.AppleClang.GNU.2025-07-24-16-02-11/config

Environment Variables:

KIM_API_CMAKE_PREFIX_DIR:
–empty–

KIM_API_CONFIGURATION_FILE:
–empty–

KIM_API_MODEL_DRIVERS_DIR:
–empty–

KIM_API_PORTABLE_MODELS_DIR:
–empty–

KIM_API_SIMULATOR_MODELS_DIR:
–empty–

===============================================================================

Current Working Directory Collection

Model Drivers: ‘/Users/sqe5210’
–empty–

Portable Models: ‘/Users/sqe5210’
–empty–

Simulator Models: ‘/Users/sqe5210’
ao_md_simulation

Environment Variable Collection

Model Drivers: --empty–
–empty–

Portable Models: --empty–
–empty–

Simulator Models: --empty–
–empty–

User Collection

Model Drivers: ‘/Users/sqe5210/.kim-api/2.4.1+AppleClang.AppleClang.GNU.2025-07-24-16-02-11/model-drivers-dir’
SW__MD_335816936951_004

Portable Models: ‘/Users/sqe5210/.kim-api/2.4.1+AppleClang.AppleClang.GNU.2025-07-24-16-02-11/portable-models-dir’
SW_StillingerWeber_1985_Si__MO_405512056662_005

Simulator Models: ‘/Users/sqe5210/.kim-api/2.4.1+AppleClang.AppleClang.GNU.2025-07-24-16-02-11/simulator-models-dir’
Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001

System Collection

Model Drivers: ‘/usr/local/lib/kim-api/model-drivers’
LennardJones612__MD_414112407348_003
ex_model_driver_P_LJ
ex_model_driver_P_Morse

Portable Models: ‘/usr/local/lib/kim-api/portable-models’
LennardJones612_UniversalShifted__MO_959249795837_003
LennardJones_Ar
ex_model_Ar_P_LJ
ex_model_Ar_P_MLJ_Fortran
ex_model_Ar_P_Morse
ex_model_Ar_P_Morse_07C
ex_model_Ar_P_Morse_07C_w_Extensions
ex_model_Ar_P_Morse_MultiCutoff
ex_model_Ar_SLJ_MultiCutoff

Simulator Models: ‘/usr/local/lib/kim-api/simulator-models’
Sim_LAMMPS_LJcut_AkersonElliott_Alchemy_PbAu

Thank you for your sincere help in advance.

2

Hello and welcome!

pair_style kim is an outdated command. It can only be used with KIM “Portable Models”, and you are trying to use it with a “Simulator Model”:
https://openkim.org/doc/repository/kim-content/#models

You should not use pair_style kim at all anymore. Instead, you should use the kim init and kim interactions commands as documented here:
https://docs.lammps.org/kim_commands.html

Cheers, ilia

3

Hello!

Thank you for the update. I have tried the kim init and kim interactions commands as docummented, it shows
ERROR: Illegal ‘kim init’ command (src/KIM/kim_init.cpp:86)

Last command: kim init Sim_LAMMPS_ReaxFF_KeithFantauzziJacob_2010_AuO__SM_974345878378_001

this error. What should possibly be the reason? Does this not run on LAMMPS?

4

That is an illegal kim init command. In the documentation, you can see that you are required to specify units after the model name:

https://docs.lammps.org/kim_commands.html#id2