Messages

1

General Questions and Answers / Re: NLIOError in calculating Transmission Spectra

« on: March 8, 2024, 02:29 »

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.

2

General Questions and Answers / Re: NLIOError in calculating Transmission Spectra

« on: March 8, 2024, 02:26 »

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)

3

General Questions and Answers / Re: NLIOError in calculating Transmission Spectra

« on: March 8, 2024, 02:19 »

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

4

General Questions and Answers / NLIOError in calculating Transmission Spectra

« on: March 8, 2024, 02:11 »

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