ERROR: KIM ModelCreate failed (src/KIM/pair

Khorshidi, Alireza

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Apr 14, 2019, 6:56:25 PM4/14/19

to ope...@googlegroups.com, Ryan S. Elliott, Jakob Schiøtz, C. Goldsmith, Peterson, Andrew

Hello list,

I am trying to use kim for lammps simulation. I can see that my model and model driver are installed under "kim-api-collections-management list":

User Collection

-------------------------------------------------------------------------------

Model: '/home/alireza/.kim-api/model-drivers-dir'

amp_model_driver

Models: '/home/alireza/.kim-api/models-dir'

amp_parametrized_model

However, when I do $../../../lammps/build/lmp -in lammps_input, I get the error:

ERROR: KIM ModelCreate failed (src/KIM/pair_kim.cpp:773)

Last command: pair_style kim amp_parameterized_model

This was working a few months ago, so I am wondering if anything has changed upstream in OpenKIM recently? I attached the lammps_input and amp_parameterized_model scripts.

Thanks and regards,

Alireza

lammps_input

amp.params

Ryan S. Elliott

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Apr 14, 2019, 7:04:34 PM4/14/19

to Khorshidi, Alireza, openkim, Jakob Schiøtz, C. Goldsmith, Peterson, Andrew

Hello,

Can you please provide versions for the kim-api and lammps?

Thanks,

Ryan

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Khorshidi, Alireza

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Apr 14, 2019, 7:18:01 PM4/14/19

to Ryan S. Elliott, openkim, Jakob Schiøtz, C. Goldsmith, Peterson, Andrew

I installed both kim-api and lammps fresh.

kim-api following the instructions here: https://github.com/openkim/kim-api/blob/master/INSTALL, so must be kim-api-2.0.2, and lammps version LAMMPS (29 Mar 2019).

Regards,

Alireza

Ryan S. Elliott

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Apr 14, 2019, 7:48:33 PM4/14/19

to Khorshidi, Alireza, openkim, Jakob Schiøtz, C. Goldsmith, Peterson, Andrew

OK,

Is there a kim.log file generated when you execute lammps? What is in it?

How did you build lamms?

Can you provide the full output of

$ kim-api-collections-management list

and

$ ldd ../../../lammps/build/lmp

Khorshidi, Alireza

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Apr 14, 2019, 9:16:40 PM4/14/19

to openkim, Jakob Schiøtz, C. Goldsmith, Peterson, Andrew

Sure! See attached please. Also I build lammps by:

$ cd lammps && mkdir build && cd build
$ cmake -D CMAKE_C_COMPILER=gcc -D CMAKE_CXX_COMPILER=g++ -D CMAKE_Fortran_COMPILER=gfortran -D PKG_KIM=on -D KIM_LIBRARY=$"/usr/local/lib/libkim-api.so" -D KIM_INCLUDE_DIR=$"/usr/local/include/kim-api" ../cmake
$ make

Regards,

Alireza

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kim-management.txt

kim.log

ldd-lammps.txt

Ryan S. Elliott

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Apr 14, 2019, 9:55:41 PM4/14/19

to openkim, Jakob Schiøtz, C. Goldsmith, Peterson, Andrew

Hi Alireza,

OK, The problem is that the installed model has a mispelled name. It is
"amp_parametrized_model" instead of "amp_parameterized_model" which is what you
have in the lammps input script.

Cheers,

A little learning is a dangerous thing, but a lot of ignorance is just as
bad.

Bob Edwards
----------

Khorshidi, Alireza

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Apr 14, 2019, 10:28:27 PM4/14/19

to openkim, Jakob Schiøtz, C. Goldsmith, Peterson, Andrew

Oh! My bad! Thanks Ryan! Everything works fine now. Thanks also for the quick response!