NLIOError in calculating Transmission Spectra

[wangmz]

Does someone know the reason of this error? Now the error occurs whenever I start to calculate Transmission Spectra.

The version of the ATK I use is V-2023.12.

Traceback (most recent call last):
  File "zipdir\NL\GUI\Tools\Data\DataCatalogImportThreader.py", line 65, in start
  File "zipdir\NL\GUI\Tools\Data\DataCatalogImportThreader.py", line 189, in start
  File "build\atkpython\Lib\contextlib.py", line 155, in __exit__
  File "zipdir\NL\GUI\Tools\Data\DataCatalog.py", line 259, in transaction
NL.ComputerScienceUtilities.Exceptions.NLIOError: Failed to commit transaction

[wangmz]

And I run the task again, comes:

Traceback (most recent call last):
  File "zipdir\NL\GUI\Tools\Jobs\TaskExecutor.py", line 390, in _onWorkerChanged
  File "zipdir\NL\GUI\Store\Store.py", line 306, in update
  File "build\atkpython\Lib\contextlib.py", line 144, in __exit__
  File "zipdir\NL\GUI\Store\Store.py", line 675, in batch
  File "zipdir\NL\GUI\Store\Store.py", line 734, in _closeTransaction
  File "zipdir\NL\GUI\Store\Signal.py", line 143, in emit
  File "zipdir\NL\GUI\Store\StoreDatabase.py", line 203, in _onTransaction
  File "build\atkpython\Lib\contextlib.py", line 155, in __exit__
  File "zipdir\NL\GUI\Store\StoreDatabase.py", line 194, in transaction
NL.ComputerScienceUtilities.Exceptions.NLIOError: Failed to commit transaction

Everything looks fine until Transmission Spectra

[wangmz]

The script was generated by a workflow: 1. Load Device Configuration 2. Set Initial Spin 3. Set DeviceLCAOCalculator 4. Transmission Spectrum And the Transmission Spectrum part of the script was like this:

Code

# %% TransmissionSpectrum

self_energy_calculator = RecursionSelfEnergy(
    storage_strategy=StoreOnDisk()
)

transmission_spectrum = TransmissionSpectrum(
    configuration=cr_al_l1,
    energies=numpy.linspace(-0.5, 0.5, 11)*eV,
    kpoints=AdaptiveGrid(),
    self_energy_calculator=self_energy_calculator
)
nlsave('results.hdf5', transmission_spectrum)

[wangmz]

Yesterday when I start this task the first time, there was no Error. But after this error appears the first time, it would  re-appear immediately when it start to calculate TransmissionSpectrum.

[Anders Blom]

This is confusing, as this error has nothing to do running a script (no matter what task, like TransmissionSpectrum), but rather is related to the GUI itself and how it stores the status of running jobs. Do you see the error in the script log file or does the GUI crash?