Marnik Bercx
Marnik Bercx
When doing `verdi process list`, AiiDA reports the usage (in %) of the number of daemon worker slots: ```console Report: Using 38% of the available daemon worker slots. ``` However,...
When trying to create an archive: ```python verdi archive create -G workchain/relax -- relax_workchains.aiida ``` I'm running into the following error ```python sqlalchemy.exc.OperationalError: (psycopg.OperationalError) sending query and params failed: number...
### Is your feature request related to a problem? Please describe Currently, the `BaseRestartWorkChain` allows you to set the maximum iterations - i.e. the maximum number of times the work...
I'm looking to write some NEB workflows to help collaborators automate their calculations. I've explored the repository a bit, and found the `VaspNEBWorkChain`, which is a `BaseRestartWorkChain` for the NEB...
@cpignedoli this is a rough draft PR for you to test! I have to sign off for the day, but already wanted to get your feedback. To be clear: this...
While "running" a workflow, I am reliably running into the following error: ``` FileNotFoundError: [Errno 2] No such file ``` From the full traceback (see below), the issue seems to...
### Wrong path: improve error message ```console (mc3d-relax) aiida@thanos:~/project/mc3d-relax/pipeline$ verdi archive import /home/aiida/project/mc3d-source/data/archive Report: starting import: /home/aiida/project/mc3d-source/data/archive Critical: an exception occurred while trying to import the archive /home/aiida/project/mc3d-source/data/archive: CorruptStorage: Could...
From @mikibonacci and @giovannipizzi in https://github.com/aiidateam/aiida-core/pull/7069#issuecomment-3501267477 > With @giovannipizzi, we were discussing of adding the pause feature also for handled errors that reached the maximum of the allowed restarts (`max_iterations`)....
Running with the SQLite storage, I'm getting quite a few of these: ```python 11/27/2025 01:20:40 PM aiida.engine.utils: [WARNING] Failed to write global variable `process|state_change|work` to `2025-11-27T13:20:40.354968+10:00` because the database was...
>[!NOTE] > There is a lot of code debt in the `TrajectoryData`, and the API is quite old and not optimal. Fixing all of that is beyond the scope of...