archive.json with evcurve workflow upload upload

[mdforti]

I can upload an archive.json to the nomad archive. this archive contains an evcurve workflow. the parsing fails with this error:

"root":{ "errors":string"normalizer failed with exception" "event":string"process failed" "proc":string"Entry" "process":string"process_entry" "process_worker_id":string"GAnRUuJjTBmrzo9f1onk3g" "parser":string"parsers/archive" "error":string"ufunc 'multiply' did not contain a loop with signature matching types (dtype('<U11'), dtype('int64')) -> None" "normalizer":string"ResultsNormalizer" "step":string"ResultsNormalizer" "logger":string"nomad.processing" "exception":string"Traceback (most recent call last): File "/app/nomad/processing/data.py", line 1072, in normalizing normalizer(self._parser_results).normalize(logger=logger) File "/app/nomad/normalizing/results.py", line 100, in normalize self.normalize_run(logger=self.logger) File "/app/nomad/normalizing/results.py", line 196, in normalize_run properties, conv_atoms, wyckoff_sets, spg_number = self.properties(repr_system, repr_symmetry) File "/app/nomad/normalizing/results.py", line 483, in properties energy_volume_curves = self.energy_volume_curves() File "/app/nomad/normalizing/results.py", line 758, in energy_volume_curves volumes = equation_of_state.volumes File "/app/nomad/metainfo/metainfo.py", line 2504, in get value = value * self.unit File "/usr/local/lib/python3.7/site-packages/pint/unit.py", line 291, in array_ufunc **kwargs, File "/usr/local/lib/python3.7/site-packages/pint/quantity.py", line 1655, in array_ufunc return numpy_wrap("ufunc", ufunc, inputs, kwargs, types) File "/usr/local/lib/python3.7/site-packages/pint/numpy_func.py", line 921, in numpy_wrap return handled[name](*args, *kwargs) File "/usr/local/lib/python3.7/site-packages/pint/numpy_func.py", line 303, in implementation result_magnitude = func(stripped_args, **stripped_kwargs) numpy.core._exceptions._UFuncNoLoopError: ufunc 'multiply' did not contain a loop with signature matching types (dtype('<U11'), dtype('int64')) -> None" "timestamp":string"2023-02-12 10:24.33" "level":string"ERROR" }

Traceback (most recent call last): File "/app/nomad/processing/data.py", line 1072, in normalizing normalizer(self._parser_results).normalize(logger=logger) File "/app/nomad/normalizing/results.py", line 100, in normalize self.normalize_run(logger=self.logger) File "/app/nomad/normalizing/results.py", line 196, in normalize_run properties, conv_atoms, wyckoff_sets, spg_number = self.properties(repr_system, repr_symmetry) File "/app/nomad/normalizing/results.py", line 483, in properties energy_volume_curves = self.energy_volume_curves() File "/app/nomad/normalizing/results.py", line 758, in energy_volume_curves volumes = equation_of_state.volumes File "/app/nomad/metainfo/metainfo.py", line 2504, in get value = value * self.unit File "/usr/local/lib/python3.7/site-packages/pint/unit.py", line 291, in array_ufunc **kwargs, File "/usr/local/lib/python3.7/site-packages/pint/quantity.py", line 1655, in array_ufunc return numpy_wrap("ufunc", ufunc, inputs, kwargs, types) File "/usr/local/lib/python3.7/site-packages/pint/numpy_func.py", line 921, in numpy_wrap return handled[name](*args, *kwargs) File "/usr/local/lib/python3.7/site-packages/pint/numpy_func.py", line 303, in implementation result_magnitude = func(stripped_args, **stripped_kwargs) numpy.core._exceptions._UFuncNoLoopError: ufunc 'multiply' did not contain a loop with signature matching types (dtype('<U11'), dtype('int64')) -> None

however, I am also running a docker image with the develop branch, where the archive shows correctly except for the structure_name property.

[ladinesa]

I tried to parse the archive and it seems to work with no errors. Also the structure info are there.

[mdforti]

It results in Failure to me. can you check with the upload ID ?

[mdforti]

same error

[ladinesa]

It results in Failure to me. can you check with the upload ID ?

can you send the upload_id? It is possible that the fix is not yet in the current nomad version but I will check if it works with the current develop branch.

[mdforti]

it is OeXWjVsMQ4ONwh9uskV5CQ

[ladinesa]

yes it is the staging that contains the newer implementations.

[mdforti]

ok, sorry for the misunderstanding

[markus1978]

Can this be closed?

[mdforti]

yes, I think so.