This branch refactors the scripts and workflow for running local tests. Notably, parallel testing has been fixed.
Currently, I've only added the new scripts in a folder called local. The old local_tests folder was not modified.
To use the new workflow, the only file that needs to be edited is submit.sl, which contains settings for the RMG-tests run. Each setting is commented, but they should be pretty self explanatory. To run, simply submit via slurm.
This is still work-in-progress, and I have not tested every combination of options to make sure that they work. I've only tested running in parallel with and without thermo validation.
Next steps include improving post-processing (the efficiency table script doesn't work with the parallel output) and making sure that all functionality in the current local_tests folder is included.
This branch refactors the scripts and workflow for running local tests. Notably, parallel testing has been fixed.
Currently, I've only added the new scripts in a folder called
local. The oldlocal_testsfolder was not modified.To use the new workflow, the only file that needs to be edited is
submit.sl, which contains settings for the RMG-tests run. Each setting is commented, but they should be pretty self explanatory. To run, simply submit via slurm.This is still work-in-progress, and I have not tested every combination of options to make sure that they work. I've only tested running in parallel with and without thermo validation.
Next steps include improving post-processing (the efficiency table script doesn't work with the parallel output) and making sure that all functionality in the current
local_testsfolder is included.