KIM model name not found

aperego-akron · January 6, 2022, 7:05pm

Hello everyone,

I am trying to use the following potential:
EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000 for one of my simulations.

I am new to openKIM but I believe that everything went smoothly in the installation.

The problem I am facing is that upon running LAMMPS I get the following error:
ERROR: KIM Model name not found (../kim_init.cpp:193)

My current version of kim-api is kim-api-2.2.1-gcc-4.8.5-lut4ypy .

I saw some discussions in this forum that sometimes the potentials have not been updated to the current OpenKIM version so I was wondering that is the issue or if is there anything I am doing wrong. The reason I am asking is that I tried a couple of random potentials and I am still getting the same error.

Thank you very much for your time

Alessandro

relliott · January 6, 2022, 8:01pm

Hi Alessandro,

Can you please provide a little more detail on how you installed the kim-api, openkim-models, and lammps packages? That may provide the clues necessary to help you.

Thanks,
Ryan

aperego-akron · January 6, 2022, 9:07pm

Yes of course,

The kim-api library and openkim-models were installed by my system administrator using Spack so to be available on all of our computing nodes.

LAMMPS package was installed by using make yes-KIM followed by make mpi
Before running the simulation the modules are load by typing in the terminal:
module load kim-api-2.2.1-gcc-4.8.5-lut4ypy
module load openkim-models-2021-01-28-gcc-4.8.5-uvzowgs

relliott · January 6, 2022, 9:43pm

Hi, Thanks that is helpful.

With the traditional build approach in LAMMPS, I think you also need to have a step like

make lib-kim args="-p /usr/local" # use an existing KIM API installation at the provided location

See: 3.7. Packages with extra build options — LAMMPS documentation

I think (but can’t remember for sure) that this would need to go before the make yes-KIM step.

aperego-akron · January 6, 2022, 9:57pm

Thanks Ryan,

Unfortunately, the error persists. Any other possible sources on why lamps fail to locate the potentials?

relliott · January 6, 2022, 10:46pm

What version of LAMMPS are you using? In the latest version (I don’t remember exactly when this was added) you should see a listing of the directories where LAMMPS is looking for KIM models.

You should see a line like this:

#=== KIM is looking for 'Portable Models' in these directories ===

followed by a listing of directory path(s).

Can you check to see if this output is there, and if so, what directory is listed and is that the one where the spack openkim-models files are located?

Thanks,
Ryan

aperego-akron · January 6, 2022, 11:05pm

I am using LAMMPS (14 May 2021)

I don’t recall seeing that line (would it be located in the log.lammps file?)

However, the the model-drivers, portable-models and simulator-models folders are found here

/cm/shared/apps/spack/opt/spack/linux-centos7-haswell/gcc-4.8.5/openkim-models-2021-01-28-uvzowgsfdqtxrnrgmx5bitfzw5qveapd/lib/kim-api

Also, I don’t know if it helps but this is the kim.log file generated:

2022-01-06:18:04:47EST * 0 * information * 0x15e3670 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1685160 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643960 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1685340 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1685340 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687340 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687380 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687340 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687220 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16872a0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687220 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 1 * information * 0x1687220 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '7_Collections'.
2022-01-06:18:04:47EST * 0 * information * 0x1687380 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687220 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687220 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687300 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687300 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1687220 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643a80 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16458a0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16438e0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16438e0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16459e0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643a00 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643a80 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16458a0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643a80 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16438e0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643860 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x16438e0 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643920 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 0 * information * 0x1643a00 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 1 * information * 0x1643860 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '16_Collections'.
2022-01-06:18:04:47EST * 0 * information * 0x1643920 * KIM_LogImplementation.cpp:110 * Log object created.  Default verbosity level is 'information'.
2022-01-06:18:04:47EST * 1 * information * 0x15e3670 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '0_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1685160 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '12_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643920 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '30_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643960 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '28_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1685340 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '14_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1685340 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '15_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687340 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '1_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687380 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '13_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687340 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '2_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x16872a0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '6_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687220 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '3_Collections'.
2022-01-06:18:04:47EST * 2 * information * 7_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687220'.
2022-01-06:18:04:47EST * 1 * information * 0x1687300 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '11_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687380 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '4_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687220 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '9_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687220 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '10_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687300 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '8_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1687220 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '5_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643a80 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '25_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x16458a0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '20_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x16459e0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '31_Collections'.
2022-01-06:18:04:47EST * 2 * information * 10_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687220'.
2022-01-06:18:04:47EST * 1 * information * 0x16438e0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '26_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643a00 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '22_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643a80 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '27_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643a80 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '29_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x16438e0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '21_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x16458a0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '24_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643920 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '17_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x1643a00 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '18_Collections'.
2022-01-06:18:04:47EST * 2 * information * 15_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1685340'.
2022-01-06:18:04:47EST * 2 * information * 16_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643860'.
2022-01-06:18:04:47EST * 1 * information * 0x16438e0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '19_Collections'.
2022-01-06:18:04:47EST * 1 * information * 0x16438e0 * KIM_LogImplementation.cpp:242 * Log object renamed.  ID changed to '23_Collections'.
2022-01-06:18:04:47EST * 2 * information * 12_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1685160'.
2022-01-06:18:04:47EST * 2 * information * 28_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643960'.
2022-01-06:18:04:47EST * 2 * information * 14_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1685340'.
2022-01-06:18:04:47EST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x15e3670'.
2022-01-06:18:04:47EST * 2 * information * 1_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687340'.
2022-01-06:18:04:47EST * 2 * information * 30_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643920'.
2022-01-06:18:04:47EST * 2 * information * 9_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687220'.
2022-01-06:18:04:47EST * 2 * information * 8_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687300'.
2022-01-06:18:04:47EST * 2 * information * 5_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687220'.
2022-01-06:18:04:47EST * 2 * information * 13_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687380'.
2022-01-06:18:04:47EST * 2 * information * 2_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687340'.
2022-01-06:18:04:47EST * 2 * information * 6_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16872a0'.
2022-01-06:18:04:47EST * 2 * information * 11_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687300'.
2022-01-06:18:04:47EST * 2 * information * 3_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687220'.
2022-01-06:18:04:47EST * 2 * information * 27_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643a80'.
2022-01-06:18:04:47EST * 2 * information * 29_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643a80'.
2022-01-06:18:04:47EST * 2 * information * 20_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16458a0'.
2022-01-06:18:04:47EST * 2 * information * 4_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1687380'.
2022-01-06:18:04:47EST * 2 * information * 31_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16459e0'.
2022-01-06:18:04:47EST * 2 * information * 22_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643a00'.
2022-01-06:18:04:47EST * 3 * error * 12_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 2 * information * 25_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643a80'.
2022-01-06:18:04:47EST * 2 * information * 23_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16438e0'.
2022-01-06:18:04:47EST * 2 * information * 26_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16438e0'.
2022-01-06:18:04:47EST * 2 * information * 24_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16458a0'.
2022-01-06:18:04:47EST * 2 * information * 18_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643a00'.
2022-01-06:18:04:47EST * 3 * error * 3_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 29_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 2 * information * 21_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16438e0'.
2022-01-06:18:04:47EST * 3 * error * 28_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 2 * information * 17_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x1643920'.
2022-01-06:18:04:47EST * 3 * error * 10_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 30_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 2 * information * 19_Collections * KIM_LogImplementation.cpp:246 * Log object renamed.  ID changed from '0x16438e0'.
2022-01-06:18:04:47EST * 3 * error * 16_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 0_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 15_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 1_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 13_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 7_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 2_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 11_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 9_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 14_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 20_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 8_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 5_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 22_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 25_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 26_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 6_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 24_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 21_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 19_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 27_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 31_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 23_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 4_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 18_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.
2022-01-06:18:04:47EST * 3 * error * 17_Collections * KIM_CollectionsImplementation.cpp:730 * Unable to find item.

relliott · January 6, 2022, 11:39pm

OK, that feature was added in September 2021. Since you are building from source, is it possible for you to use the 14-December-2021 patch release? Then you should see the lines I mentioned in the log and/or the screen output.