Erro while installing a model

OpenKIM
1

Hello,

I want to use " Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000" model in Openkim and ASE and I get the error of not finding a file. So I tried to install the model on openkim and I got this error:

$ kim-api-collections-management install user Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
Downloading… Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
– The C compiler identification is unknown
– The CXX compiler identification is unknown
CMake Error at CMakeLists.txt:7 (project):
The CMAKE_C_COMPILER:

/home/conda/feedstock_root/build_artifacts/kim-api_1607958627046/_build_env/bin/x86_64-conda-linux-gnu-cc

is not a full path to an existing compiler tool.

Tell CMake where to find the compiler by setting either the environment
variable “CC” or the CMake cache entry CMAKE_C_COMPILER to the full path to
the compiler, or to the compiler name if it is in the PATH.

CMake Error at CMakeLists.txt:7 (project):
The CMAKE_CXX_COMPILER:

/home/conda/feedstock_root/build_artifacts/kim-api_1607958627046/_build_env/bin/x86_64-conda-linux-gnu-c++

is not a full path to an existing compiler tool.

Tell CMake where to find the compiler by setting either the environment
variable “CXX” or the CMake cache entry CMAKE_CXX_COMPILER to the full path
to the compiler, or to the compiler name if it is in the PATH.

– Configuring incomplete, errors occurred!
See also “/tmp/kim-api-build-xpu9MMaoHt/Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000/build/CMakeFiles/CMakeOutput.log”.
See also “/tmp/kim-api-build-xpu9MMaoHt/Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000/build/CMakeFiles/CMakeError.log”.

Aborting!

Can you please help me solve this issue.

2

Hello,

I believe you should install the openkim-models package (Openkim Models :: Anaconda.org) using conda. This should include the model you are hoping to use.

Unfortunately, due to the way conda works it is not possible to build and install individual models using the kim-api-collections-management install ... mechanism.

3

Thank you for the reply.

Actually, I installed the openkim model on conda and I can use “LJ_ElliottAkerson_2015_Universal__MO_959249795837_003” and some other potentials. Also, when I see all the models available, the “Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000” was not on the list.

4

Ah, OK. That model must have been added to the openkim repository after the latest snapshop release of the openkim-models package. So, that means you’ll probably need to install the kim-api from source (OpenKIM · Obtaining KIM Models · Interatomic Potentials and Force Fields) instead of using conda, so that the kim-api-collections-management install ... command will work correctly.