SMB simulations no longer running on CADET-Process 0.10

CADET Troubleshooting
1

Expected behavior.

Hi

I have just updated CADET-Process to 0.10 and all my SMB simulations no longer run. I have tried several variations, including several examples from the docs and I get the same error (below). Can’t understand the problem. If I go back to 0.9 it works.

Actual behavior

There was an exception in simulate_n_cycles
Traceback (most recent call last):
  File "C:\Users\josep\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\log.py", line 172, in wrapper
    return function(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\Users\josep\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\simulator\simulator.py", line 308, in simulate_n_cycles
    return self.run(process, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\Users\josep\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\simulator\cadetAdapter.py", line 133, in wrapper
    results = func(self, process, *args, **kwargs)
              ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\Users\josep\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\simulator\cadetAdapter.py", line 246, in run
    raise CADETProcessError(
CADETProcess.CADETProcessError.CADETProcessError: CADET Error: Simulation failed with 

---------------------------------------------------------------------------
CADETProcessError                         Traceback (most recent call last)
Cell In[4], line 7
      4 process_simulator = Cadet()
      5 process_simulator.n_cycles = 3
----> 7 simulation_results = process_simulator.simulate(process)
      9 _ = simulation_results.solution.raffinate.inlet.plot()
     10 _ = simulation_results.solution.extract.inlet.plot()

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\simulator\simulator.py:252, in SimulatorBase.simulate(self, process, previous_results, **kwargs)
    249     raise CADETProcessError("Process is not configured correctly.")
    251 if not self.evaluate_stationarity:
--> 252     results = self.simulate_n_cycles(
    253         process, self.n_cycles, previous_results, **kwargs
    254     )
    255 else:
    256     results = self.simulate_to_stationarity(
    257         process, previous_results, **kwargs
    258     )

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\log.py:150, in log_time.<locals>.log_time_decorator.<locals>.wrapper(*args, **kwargs)
    147 @wraps(function)
    148 def wrapper(*args, **kwargs):
    149     start = time.time()
--> 150     result = function(*args, **kwargs)
    151     elapsed = time.time() - start
    152     logger = get_logger(logger_name, level=None)

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\log.py:201, in log_results.<locals>.log_results_decorator.<locals>.wrapper(*args, **kwargs)
    197 logger = get_logger(logger_name, level=None)
    199 logger.debug('{} was called with {}, {}'.format(
    200         function, *args, **kwargs))
--> 201 results = function(*args, **kwargs)
    202 logger.debug(f'Results: {results}')
    204 return results

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\log.py:180, in log_exceptions.<locals>.log_exception_decorator.<locals>.wrapper(*args, **kwargs)
    177 logger.exception(err)
    179 # re-raise the exception
--> 180 raise e

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\log.py:172, in log_exceptions.<locals>.log_exception_decorator.<locals>.wrapper(*args, **kwargs)
    170 logger = get_logger(logger_name, level=None)
    171 try:
--> 172     return function(*args, **kwargs)
    173 except Exception as e:
    174     # log the exception
    175     err = "There was an exception in "

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\simulator\simulator.py:308, in SimulatorBase.simulate_n_cycles(self, process, n_cyc, previous_results, **kwargs)
    305 if previous_results is not None:
    306     self.set_state_from_results(process, previous_results)
--> 308 return self.run(process, **kwargs)
    310 self.n_cycles = n_cyc_orig

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\simulator\cadetAdapter.py:133, in Cadet.locks_process.<locals>.wrapper(self, process, *args, **kwargs)
    130     process.lock = True
    131     locked_process = True
--> 133 results = func(self, process, *args, **kwargs)
    135 if locked_process:
    136     process.lock = False

File ~\miniconda3\envs\cadet\Lib\site-packages\CADETProcess\simulator\cadetAdapter.py:246, in Cadet.run(self, process, cadet, file_path)
    241 if return_information.return_code != 0:
    242     self.logger.error(
    243         f'Simulation of {process.name} '
    244         f'with parameters {process.config} failed.'
    245     )
--> 246     raise CADETProcessError(
    247         f'CADET Error: Simulation failed with {return_information.error_message}'
    248     ) from None
    250 try:
    251     results = self.get_simulation_results(
    252         process, cadet, elapsed, return_information
    253     )

CADETProcessError: CADET Error: Simulation failed with

How to produce bug (including a minimal reproducible example)

Just trying to run the example from the SMBBuilder documentation gives me the error.

File produced by conda env export > environment.yml

cadet-env.yml (17.4 KB)

2

Hi José,

unfortunately, I could not reproduce the issue with CADET-Process; for me, it runs fine with v0.9/v0.10/dev-branch. But I feel your frustration and I’m happy to investigate this further during a call, ideally during our next office hours, but if it’s urgent, I could also make some time next week.

Best regards,

Jo

4

Hey Jo

Hope all is great with you.

Thanks for the quick feedback. Must be something with my env then. Although I did create a clean one to test 0.10. I will make some more tests and I will join in the next office hours.

It’s nothing urgent and I can always go back to 0.9, but I would like to understand the problem and keep up with development.

Thanks again.

1 Like