You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
When file like this example ph.zip (however it looks like all Quantum Espresso Phonon output files I tried have the same issue) is uploaded nothing is parsed and strangely the program is shown as "Quantum Espresso EPW". However it looks like a correct parser was invoked parsers/quantumespressophonon, so I have no clue where the "Quantum Espresso EPW" string could come from... Also no properties are parsed. See this (unpublished) entry https://nomad-lab.eu/prod/v1/staging/gui/user/uploads/upload/id/Nb8MzkFZS3ukypH8SVaVcg/entry/id/F_0vjbaNxRrPn1IhdWg8lI9JJjgR as an example or just try to upload the ph.out testcase to staging server to reproduce.
I'm opening an issue here instead of against https://github.com/nomad-coe/workflow-parsers/ because the parser itself seems to get it right. When I parse it locally using the latest develop branch with nomad parse ph.out all looks fine, including the program name, system and the phonon properties, so it looks like this problem happens at some higher level.
This is a follow up from https://matsci.org/t/more-parsers-for-quantum-espresso-based-packages/42687/20 the matching problems are resolved when using the NOMAD staging server, however there are still major issues with the parsed results itself.
When file like this example ph.zip (however it looks like all Quantum Espresso Phonon output files I tried have the same issue) is uploaded nothing is parsed and strangely the program is shown as "Quantum Espresso EPW". However it looks like a correct parser was invoked
parsers/quantumespressophonon
, so I have no clue where the "Quantum Espresso EPW" string could come from... Also no properties are parsed. See this (unpublished) entry https://nomad-lab.eu/prod/v1/staging/gui/user/uploads/upload/id/Nb8MzkFZS3ukypH8SVaVcg/entry/id/F_0vjbaNxRrPn1IhdWg8lI9JJjgR as an example or just try to upload the ph.out testcase to staging server to reproduce.I'm opening an issue here instead of against https://github.com/nomad-coe/workflow-parsers/ because the parser itself seems to get it right. When I parse it locally using the latest develop branch with
nomad parse ph.out
all looks fine, including the program name, system and the phonon properties, so it looks like this problem happens at some higher level.CC @ladinesa
The text was updated successfully, but these errors were encountered: