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  • nomad-lab
  • nomad-FAIRnomad-FAIR
  • Issues
  • #476

Closed
Open
Created Jan 20, 2021 by Markus Scheidgen@mscheidgOwner

Exception in new FHI-aims parser

I hope this one is not random. It is also type/conversion related. Also see #475 (closed).

This happened for ~2000 calcs out of 100.000 calcs.

Example calc: yOVx7KJIL_8KdRVP_TOdyqYINPJ2

Traceback (most recent call last):
  File "/app/nomad/processing/data.py", line 444, in parsing
    self._parser_results, logger=logger)
  File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1479, in parse
    self.parse_method()
  File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1283, in parse_method
    sec_method.x_fhi_aims_controlIn_relativistic_threshold = val[2]
  File "/app/nomad/metainfo/metainfo.py", line 849, in __setattr__
    return super().__setattr__(name, value)
  File "/app/nomad/metainfo/metainfo.py", line 2111, in __set__
    obj.m_set(self, value)
  File "/app/nomad/metainfo/metainfo.py", line 956, in m_set
    value = self.__to_np(quantity_def, value)
  File "/app/nomad/metainfo/metainfo.py", line 934, in __to_np
    value = quantity_def.type.type(value)
ValueError: could not convert string to float: 'n'
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