Exception in new exciting parser, cannot get system data
This happens to a large amount of exciting calculations (>4000). It's probably due to a specific exciting version.
One example calc_id=9Y-5JMQpBip1lF5IrAd78XpxA6DU:
Trace:
Traceback (most recent call last):
File "/app/nomad/processing/data.py", line 437, in parsing
self._parser_results, logger=logger)
File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2126, in parse
self.parse_configurations()
File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2051, in parse_configurations
sec_scc = parse_configuration(self.info_parser.get('groundstate'))
File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2042, in parse_configuration
sec_system = self.parse_system(section)
File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1955, in parse_system
positions = self.info_parser.get_atom_positions(section)
File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 966, in get_atom_positions
positions = np.dot(positions, cell.magnitude)
File "<__array_function__ internals>", line 6, in dot
TypeError: Cannot cast array data from dtype('float64') to dtype('<U32') according to the rule 'safe'