Error while opening QATK in windows 11

[AsifShah]

Dear admin,
How to resolve error?

I cant open ATK GUI on Windows 11 :

Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\Program Files\QuantumATK\QuantumATK-W-2024.09-SP1\bin\quantumatk.exe\__main__.py", line 7, in <module>
    sys.exit(start_quantumatk())
             ^^^^^^^^^^^^^^^^^^
  File "zipdir/ATKExecutables/atkwrappers\__init__.py", line 811, in start_quantumatk
  File "zipdir\NL\__init__.py", line 10, in <module>
  File "zipdir\NL\GUI\Main\Main.py", line 207, in main
  File "zipdir\NL\GUI\Main\ApplicationManager.py", line 11, in <module>
  File "zipdir\NL\GUI\Preferences\Preferences.py", line 17, in <module>
  File "zipdir\NL\GUI\Tools\Builder\Stash\StashConstants.py", line 3, in <module>
  File "zipdir\NL\CommonConcepts\Configurations\BulkConfiguration.py", line 19, in <module>
  File "zipdir\NL\CommonConcepts\Configurations\AtomicConfiguration.py", line 13, in <module>
  File "zipdir\NL\Calculators\ExternalCalculators\ClassicalCalculators\PotentialBuilderUtilities.py", line 13, in <module>
  File "build/atkpython/Lib/site-packages/tremolox\TremoloXPotentialSet.py", line 19, in <module>
  File "build/atkpython/Lib/site-packages/tremolox\potentials\analyzer.py", line 42, in <module>
  File "build/atkpython/Lib/site-packages/tremolox\pymolo.py", line 8, in <module>
  File "build/atkpython/Lib/site-packages/tremolox\pymolo_avx.py", line 10, in <module>
ImportError: DLL load failed while importing _pymolo_avx: The specified procedure could not be found.

[Anders Blom]

Looks like a broken installation. Try to reinstall

[AsifShah]

Issue resolved. Turns out there were some quantumatk files from previous version. Had to uninstall and delete all Quantumatk files and reinstall.

[Anders Blom]

Probably the files themselves were not the issue, but you may have set a PATH that points to these files, which get picked up preferentially by the newer installation. This is actually an interesting question that maybe we need to pay some attention to, since we stopped automatically updating the PATH with newer versions, so lingering legacy installations can become a problem in this way. To help us improve this for other users, can you share which old version you had installed, and share your PATH variable?

Also, how dud you obtain the traceback on Windows - normally error messages go to a (non-existent) terminal, and are unfortunately hard to capture for a user. Did these errors appear in a popup, and if so, at what stage of the startup sequence?

[AsifShah]

Dear Anders Blom,

The older version was from 2023.
The files that were causing trouble were in the path: C:\Users\Lenovo\.quantumatk
It was the .quantumatk folder that was causing the trouble.

Yes, there was a popup just after I double clicked the QuantumATK icon.

[Anders Blom]

Interesting! I suppose you no longer have the offending files, but in case you do, you can share them with us to include in our testing, to avoid this issue in the future.

[AsifShah]

Sadly no. I deleted them all

[Anders Blom]

At least this thread can serve as a guide for people experiencing the same issue,