Parser not found error

[Kyle Bushick]

Hello all, 

I am attempting to run a scf calculation on a remote computer. The calculation runs to completion without any issues, but the aiida process is excepted. Examining the report I see that the error seems to be with the parser: aiida.common.exceptions.MissingEntryPointError: Entry point 'quantumespresso.pw' not found in group 'aiida.parsers'. Try running `reentry scan` to update the entry point cache.

However, even without running reentry scan, the entry point is present. verdi plugin list aiida.parsers gives:
* arithmetic.add
* quantumespresso.cp
* quantumespresso.dos
* quantumespresso.matdyn
* quantumespresso.neb
* quantumespresso.ph
* quantumespresso.pp
* quantumespresso.projwfc
* quantumespresso.pw
* quantumespresso.pw2gw
* quantumespresso.pw2wannier90
* quantumespresso.q2r
* templatereplacer.doubler

I originally attempted to run with QE version 6.5, but looking at the documentation it seems this is not yet supported by the qe aiida plugin. I reran with a new code that is version 6.4, but the same error persisted. Any advice you can provide as to why the entry point cannot be found would be greatly appreciated. 

Cheers,

Kyle

[Sebastiaan Huber]

Hi Kyle,

this would typically be a case where the daemon was running when the entry point cache was updated, and it hasn't been restarted yet.
So the daemon actually does not know about the new entry points, even though they are properly registered.
More information can be found here in the FAQ [1].

So my bet would be, that if you simply restart the daemon with `verdi daemon restart --reset` and launch a new calculation, it should work.
Note that to launch a quick test calculation, you can use the handy following CLI command:

    aiida-quantumespresso calculation launch pw -X CODE -p PSEUDO_FAMILY_LABEL -d

By just passing the code and pseudo family name you want to use, it will run a simple SCF calculation for a small crystalline silicon structure.
All parameters chosen will make the calculation run very fast, so it is perfect for a simple test calculation.
The `-d` flag will make sure the calculation is submitted to the daemon.

HTH,

SPH


[1] https://aiida-core.readthedocs.io/en/latest/howto/faq.html#why-would-a-process-that-runs-fine-locally-raise-an-exception-when-submitted-to-the-daemon

--
AiiDA is supported by the NCCR MARVEL (http://nccr-marvel.ch/), funded by the Swiss National Science Foundation, and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/).
 
Before posting your first question, please see the posting guidelines at http://www.aiida.net/?page_id=356 .
---
You received this message because you are subscribed to the Google Groups "aiidausers" group.
To unsubscribe from this group and stop receiving emails from it, send an email to aiidausers+...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/aiidausers/CAA8MKavGq2HRwiabP1T6LJNVhbnoCq228C0%3DkZGcCCcnY3Hrjg%40mail.gmail.com.

[Kyle Bushick]

Hi Sebastiann, 

Thanks for your advice, you were indeed correct, resetting the daemon did fix the problem. Good to know about the QE test calculation as well!

Many thanks, 

Kyle

To view this discussion on the web visit https://groups.google.com/d/msgid/aiidausers/b123f7de-4188-ab06-63a8-4e4bc530bc08%40epfl.ch.