3. Running the model executable¶
Here, we propose to force the model to be executed with fixed input files. There is nothing to change compare to the previous yaml.
The two functions to work on are compile
, make_auxiliary
and run
.
Please consult the detail of each function
here /documentation/plugins/models/index.
Note
Please test step by step by implementing one function at a time and checking the results before going further.
3.1. compile
¶
As a first step, it is recommended to simply copy executables and extra configuration
files to the folder $workdir/model
in the funciton compile
.
However, one should keep in mind to allow the model to be compiled within pyCIF at some point. This could wait for after everything else works with the model.
3.2. make_auxiliary
¶
This function makes configuration files dedicated to the present simulation.
3.3. run
¶
Here we execute the model itself.