More problems in new parsers
@ladinesa These are aims/exciting/abinit errors in the last reprocess run. - [ ] **16**, parsers/fhi-aims, [hb5jvpgBSACVtVLJOmFhCw:rIXI0B5ryHlZ9XgBJPZRLy-Bzu5V](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/hb5jvpgBSACVtVLJOmFhCw/rIXI0B5ryHlZ9XgBJPZRLy-Bzu5V/logs) ``` TypeError: float() argument must be a string or a number, not 'list' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1535, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1236, in parse_configurations parse_section(section) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1202, in parse_section parse_scf(scf_iteration) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1051, in parse_scf sec_eigenvalues.eigenvalues_values = eigenvalues[1] File "/app/nomad/metainfo/metainfo.py", line 879, in __setattr__ return super().__setattr__(name, value) File "/app/nomad/metainfo/metainfo.py", line 2141, in __set__ obj.m_set(self, value) File "/app/nomad/metainfo/metainfo.py", line 986, in m_set value = self.__to_np(quantity_def, value) File "/app/nomad/metainfo/metainfo.py", line 950, in __to_np value = value.astype(quantity_def.type) File "/usr/local/lib/python3.7/site-packages/pint/quantity.py", line 1654, in _numpy_method_wrap value = func(*args, **kwargs) ValueError: setting an array element with a sequence. ``` - [ ] **11**, parsers/exciting, [kT-zz5bGQe263rp0SnrRsw:DpUeWFRyH_DW4hdzP8qc0iEJxshl](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/kT-zz5bGQe263rp0SnrRsw/DpUeWFRyH_DW4hdzP8qc0iEJxshl/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2163, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2106, in parse_configurations sec_scc = parse_configuration(structure_optimization) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2068, in parse_configuration sec_system = self.parse_system(section) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1987, in parse_system for n in range(len(atoms)): TypeError: object of type 'numpy.float64' has no len() ``` - [ ] **9**, parsers/exciting, [QLFt5odgS1S1LQ_MDbZgpQ:SxI6MECg2gDj1cQkqasDqrq7UXeh](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/QLFt5odgS1S1LQ_MDbZgpQ/SxI6MECg2gDj1cQkqasDqrq7UXeh/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2163, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2106, in parse_configurations sec_scc = parse_configuration(structure_optimization) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2068, in parse_configuration sec_system = self.parse_system(section) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1988, in parse_system atom_labels.extend([species[n].split('.')[0]] * len(atoms[n])) TypeError: object of type 'numpy.float64' has no len() ``` - [ ] **8**, parsers/abinit, [k3obHR1SQ8606OLrErgApQ:wMDaL3GXazbuzsjT4Z61mVN4c7de](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/k3obHR1SQ8606OLrErgApQ/wMDaL3GXazbuzsjT4Z61mVN4c7de/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/abinitparser/abinit_parser.py", line 985, in parse self.parse_var() File "/usr/local/lib/python3.7/site-packages/abinitparser/abinit_parser.py", line 943, in parse_var if val[i] is None: IndexError: list index out of range ``` - [ ] **5**, parsers/exciting, [ML2qGfRqSnmxDLvPKkrLMQ:mVpv7QL-IkSnnbPdZB0CxrPjhtwG](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/ML2qGfRqSnmxDLvPKkrLMQ/mVpv7QL-IkSnnbPdZB0CxrPjhtwG/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2163, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2081, 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 2068, in parse_configuration sec_system = self.parse_system(section) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2023, in parse_system setattr(sec_system, name, val) File "/app/nomad/metainfo/metainfo.py", line 879, in __setattr__ return super().__setattr__(name, value) File "/app/nomad/metainfo/metainfo.py", line 2141, in __set__ obj.m_set(self, value) File "/app/nomad/metainfo/metainfo.py", line 986, in m_set value = self.__to_np(quantity_def, value) File "/app/nomad/metainfo/metainfo.py", line 964, in __to_np value = quantity_def.type.type(value) ValueError: invalid literal for int() with base 10: '********' ``` - [ ] **4**, parsers/fhi-aims, [ozK5RJx9QB-sE9ZLPy7vzw:zdSDn56Iywa88cKUQceCktWwAj57](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/ozK5RJx9QB-sE9ZLPy7vzw/zdSDn56Iywa88cKUQceCktWwAj57/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1535, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1236, in parse_configurations parse_section(section) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1220, in parse_section parse_gw(section) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1089, in parse_gw sec_calc_to_calc_refs = sec_run.m_create(CalculationToCalculationRefs) File "/app/nomad/metainfo/metainfo.py", line 1129, in m_create raise TypeError('There is no sub section to hold a %s in %s.' % (section_def, self.m_def)) TypeError: There is no sub section to hold a nomad.datamodel.metainfo.common_dft.CalculationToCalculationRefs:Section in nomad.datamodel.metainfo.common_dft.Run:Section. ``` - [ ] **4**, parsers/fhi-aims, [LZ4sNtvUT4GlbcY46Mt9Bw:wqS75Y9uIHloNTn2rmLpFVk0UblH](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/LZ4sNtvUT4GlbcY46Mt9Bw/wqS75Y9uIHloNTn2rmLpFVk0UblH/logs) ``` TypeError: float() argument must be a string or a number, not 'list' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1535, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1236, in parse_configurations parse_section(section) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1176, in parse_section sec_eigenvalues.eigenvalues_values = eigenvalues[1] File "/app/nomad/metainfo/metainfo.py", line 879, in __setattr__ return super().__setattr__(name, value) File "/app/nomad/metainfo/metainfo.py", line 2141, in __set__ obj.m_set(self, value) File "/app/nomad/metainfo/metainfo.py", line 986, in m_set value = self.__to_np(quantity_def, value) File "/app/nomad/metainfo/metainfo.py", line 950, in __to_np value = value.astype(quantity_def.type) File "/usr/local/lib/python3.7/site-packages/pint/quantity.py", line 1654, in _numpy_method_wrap value = func(*args, **kwargs) ValueError: setting an array element with a sequence. ``` - [ ] **2**, parsers/exciting, [bBwLURrsQzyT-avIDAsNhA:Ukv9vOpmfindZocfvucn3eYOFFZq](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/bBwLURrsQzyT-avIDAsNhA/Ukv9vOpmfindZocfvucn3eYOFFZq/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2165, in parse self.parse_gw() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1721, in parse_gw self.parse_file(f, sec_method) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1341, in parse_file parser_function(section) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1674, in _parse_input_gw 'gw/selfenergy/npol', 0) File "/app/nomad/metainfo/metainfo.py", line 879, in __setattr__ return super().__setattr__(name, value) File "/app/nomad/metainfo/metainfo.py", line 2251, in __set__ (value, type(value), self, self.type)) TypeError: The value 2 with type <class 'numpy.int64'> for quantity nomad.datamodel.metainfo.common_dft.Method.gw_self_energy_c_number_of_poles:Quantity is not of type <class 'int'> ``` - [ ] **2**, parsers/fhi-aims, [XUXzuLLNQKyuDGiXwTqc_A:J6HB4O_h6bimMfNfVUiJnb1wjMC2](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/XUXzuLLNQKyuDGiXwTqc_A/J6HB4O_h6bimMfNfVUiJnb1wjMC2/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1533, in parse self.parse_method() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1266, in parse_method species = self.control_parser.get('species') File "/app/nomad/parsing/file_parser/file_parser.py", line 81, in get val = self.results.get(key, None) File "/app/nomad/parsing/file_parser/file_parser.py", line 47, in results self.parse(self._key, **self._kwargs) File "/app/nomad/parsing/file_parser/text_parser.py", line 513, in parse self._parse_quantities(quantities_findall) File "/app/nomad/parsing/file_parser/text_parser.py", line 370, in _parse_quantities matches = re.findall(re_findall, self.file_mmap) File "/usr/local/lib/python3.7/re.py", line 225, in findall return _compile(pattern, flags).findall(string) File "/usr/local/lib/python3.7/site-packages/billiard/pool.py", line 229, in soft_timeout_sighandler raise SoftTimeLimitExceeded() billiard.exceptions.SoftTimeLimitExceeded: SoftTimeLimitExceeded() ``` - [ ] **2**, parsers/fhi-aims, [RfpFzoO2T4mTVhblG3gTbg:o21LEcL5U4nQwacbpdqlCk_lPnFt](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/RfpFzoO2T4mTVhblG3gTbg/o21LEcL5U4nQwacbpdqlCk_lPnFt/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1514, in parse value = self.out_parser.get(key) File "/app/nomad/parsing/file_parser/file_parser.py", line 81, in get val = self.results.get(key, None) File "/app/nomad/parsing/file_parser/file_parser.py", line 47, in results self.parse(self._key, **self._kwargs) File "/app/nomad/parsing/file_parser/text_parser.py", line 521, in parse self._parse_quantity(quantity) File "/app/nomad/parsing/file_parser/text_parser.py", line 460, in _parse_quantity value.append(sub_parser.parse()) File "/app/nomad/parsing/file_parser/text_parser.py", line 513, in parse self._parse_quantities(quantities_findall) File "/app/nomad/parsing/file_parser/text_parser.py", line 393, in _parse_quantities values.append(' '.join([m.decode() for m in non_empty_match])) File "/app/nomad/parsing/file_parser/text_parser.py", line 393, in <listcomp> values.append(' '.join([m.decode() for m in non_empty_match])) UnicodeDecodeError: 'utf-8' codec can't decode byte 0x80 in position 2665: invalid start byte ``` - [ ] **2**, parsers/exciting, [sB1iGmp5Sq2U4CH2y47HRQ:CJtR-92xmAbUTF0FS09_f5sIRfeQ](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/sB1iGmp5Sq2U4CH2y47HRQ/CJtR-92xmAbUTF0FS09_f5sIRfeQ/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2163, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2081, 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 2068, in parse_configuration sec_system = self.parse_system(section) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1981, in parse_system lattice_vectors *= self.input_xml_parser.get('structure/crystal/scale', 1.0) numpy.core._exceptions.UFuncTypeError: Cannot cast ufunc 'multiply' output from dtype('float64') to dtype('int64') with casting rule 'same_kind' ``` - [ ] **1**, parsers/exciting, [CgtgzCMXTUyY0tjfBYXAnA:9UM_CpSzaystbWPZoghgjg3dZmC8](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/CgtgzCMXTUyY0tjfBYXAnA/9UM_CpSzaystbWPZoghgjg3dZmC8/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2163, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2088, in parse_configurations self.parse_file(f, sec_scc) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1341, in parse_file parser_function(section) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1106, in _parse_dos if self.dos_parser.get('totaldos', None) is None: File "/app/nomad/parsing/file_parser/file_parser.py", line 81, in get val = self.results.get(key, None) File "/app/nomad/parsing/file_parser/file_parser.py", line 47, in results self.parse(self._key, **self._kwargs) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 505, in parse if not self.total_dos: File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 471, in total_dos self._total_dos = self.root.findall('./%s/%s' % (self._totaldos_key, self._diagram_key)) File "/app/nomad/parsing/file_parser/xml_parser.py", line 52, in root self._file_handler = ElementTree.parse(self.mainfile).getroot() File "/usr/local/lib/python3.7/xml/etree/ElementTree.py", line 1197, in parse tree.parse(source, parser) File "/usr/local/lib/python3.7/xml/etree/ElementTree.py", line 598, in parse self._root = parser._parse_whole(source) File "<string>", line None xml.etree.ElementTree.ParseError: no element found: line 111468, column 0 ``` - [ ] **1**, parsers/exciting, [1eMMOR07QTOUNDXy_7VlkQ:y1Vqyvq_7u35Luwr6jJRdKS29LeN](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/1eMMOR07QTOUNDXy_7VlkQ/y1Vqyvq_7u35Luwr6jJRdKS29LeN/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2167, in parse self.parse_xs() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1653, in parse_xs if xstype.lower() == 'bse': AttributeError: 'NoneType' object has no attribute 'lower' ``` - [ ] **1**, parsers/exciting, [cdAK5_-gQ4GLFbZrgBRpQQ:B7YX4kB9f1PSwYbeJeUcExy-UKZw](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/cdAK5_-gQ4GLFbZrgBRpQQ/B7YX4kB9f1PSwYbeJeUcExy-UKZw/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2163, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 2088, in parse_configurations self.parse_file(f, sec_scc) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1341, in parse_file parser_function(section) File "/usr/local/lib/python3.7/site-packages/excitingparser/exciting_parser.py", line 1162, in _parse_eigenvalues if self.eigval_parser.get('eigenvalues_occupancies', None) is None: File "/app/nomad/parsing/file_parser/file_parser.py", line 81, in get val = self.results.get(key, None) File "/app/nomad/parsing/file_parser/file_parser.py", line 47, in results self.parse(self._key, **self._kwargs) File "/app/nomad/parsing/file_parser/text_parser.py", line 498, in parse if self.file_mmap is None: File "/app/nomad/parsing/file_parser/text_parser.py", line 343, in file_mmap offset=self._file_offset) ValueError: cannot mmap an empty file ``` - [ ] **1**, parsers/fhi-aims, [RfpFzoO2T4mTVhblG3gTbg:ot1m7t1rXb7eEkIhr1felzfCNKYc](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/RfpFzoO2T4mTVhblG3gTbg/ot1m7t1rXb7eEkIhr1felzfCNKYc/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1514, in parse value = self.out_parser.get(key) File "/app/nomad/parsing/file_parser/file_parser.py", line 81, in get val = self.results.get(key, None) File "/app/nomad/parsing/file_parser/file_parser.py", line 47, in results self.parse(self._key, **self._kwargs) File "/app/nomad/parsing/file_parser/text_parser.py", line 513, in parse self._parse_quantities(quantities_findall) File "/app/nomad/parsing/file_parser/text_parser.py", line 393, in _parse_quantities values.append(' '.join([m.decode() for m in non_empty_match])) File "/app/nomad/parsing/file_parser/text_parser.py", line 393, in <listcomp> values.append(' '.join([m.decode() for m in non_empty_match])) UnicodeDecodeError: 'utf-8' codec can't decode byte 0x80 in position 542: invalid start byte ``` - [ ] **1**, parsers/fhi-aims, [JA6KMv6XQSC2Hx4PLglCHA:PhTx-akA_BFskGrQSO-gY0lEyVLZ](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/JA6KMv6XQSC2Hx4PLglCHA/PhTx-akA_BFskGrQSO-gY0lEyVLZ/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1533, in parse self.parse_method() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1330, in parse_method parse_basis_set(species) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1295, in parse_basis_set val[0], dtype=float)) ValueError: could not convert string to float: '#' ``` - [ ] **1**, parsers/fhi-aims, [jSSVtYWfTZacc7HjWPSqHQ:vzV7EoLAe3LEBffjjLLa5i_z6W-i](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/jSSVtYWfTZacc7HjWPSqHQ/vzV7EoLAe3LEBffjjLLa5i_z6W-i/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1535, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1242, in parse_configurations parse_section(section) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1202, in parse_section parse_scf(scf_iteration) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1012, in parse_scf sec_scf = sec_scc.m_create(ScfIteration) File "/app/nomad/metainfo/metainfo.py", line 1144, in m_create sub_section = section_cls(**kwargs) File "/app/nomad/metainfo/metainfo.py", line 726, in __init__ self.m_def = cls.m_def File "/app/nomad/metainfo/metainfo.py", line 879, in __setattr__ return super().__setattr__(name, value) File "/usr/local/lib/python3.7/site-packages/billiard/pool.py", line 229, in soft_timeout_sighandler raise SoftTimeLimitExceeded() billiard.exceptions.SoftTimeLimitExceeded: SoftTimeLimitExceeded() ``` - [ ] **1**, parsers/fhi-aims, [XUXzuLLNQKyuDGiXwTqc_A:fA6FNTfenBhW5xldBbbB9J_6YC1n](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/XUXzuLLNQKyuDGiXwTqc_A/fA6FNTfenBhW5xldBbbB9J_6YC1n/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1514, in parse value = self.out_parser.get(key) File "/app/nomad/parsing/file_parser/file_parser.py", line 81, in get val = self.results.get(key, None) File "/app/nomad/parsing/file_parser/file_parser.py", line 47, in results self.parse(self._key, **self._kwargs) File "/app/nomad/parsing/file_parser/text_parser.py", line 521, in parse self._parse_quantity(quantity) File "/app/nomad/parsing/file_parser/text_parser.py", line 446, in _parse_quantity for res in quantity.re_pattern.finditer(self.file_mmap): File "/usr/local/lib/python3.7/site-packages/billiard/pool.py", line 229, in soft_timeout_sighandler raise SoftTimeLimitExceeded() billiard.exceptions.SoftTimeLimitExceeded: SoftTimeLimitExceeded() ``` - [ ] **1**, parsers/fhi-aims, [wJ7g5Tj1S5G3ooINgLvtTg:uvKF8Cgb4grSTW74NKsyseip12Ij](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/wJ7g5Tj1S5G3ooINgLvtTg/uvKF8Cgb4grSTW74NKsyseip12Ij/logs) ``` TypeError: float() argument must be a string or a number, not 'list' The above exception was the direct cause of the following exception: Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1535, in parse self.parse_configurations() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1239, in parse_configurations parse_section(section) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1202, in parse_section parse_scf(scf_iteration) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1051, in parse_scf sec_eigenvalues.eigenvalues_values = eigenvalues[1] File "/app/nomad/metainfo/metainfo.py", line 879, in __setattr__ return super().__setattr__(name, value) File "/app/nomad/metainfo/metainfo.py", line 2141, in __set__ obj.m_set(self, value) File "/app/nomad/metainfo/metainfo.py", line 986, in m_set value = self.__to_np(quantity_def, value) File "/app/nomad/metainfo/metainfo.py", line 950, in __to_np value = value.astype(quantity_def.type) File "/usr/local/lib/python3.7/site-packages/pint/quantity.py", line 1654, in _numpy_method_wrap value = func(*args, **kwargs) ValueError: setting an array element with a sequence. ``` - [ ] **1**, parsers/fhi-aims, [N-bjfU-gQOejz93MXF-rsA:N0WJHJONigdpP527QTuMuHi50OgT](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/N-bjfU-gQOejz93MXF-rsA/N0WJHJONigdpP527QTuMuHi50OgT/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1533, in parse self.parse_method() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1401, in parse_method xc_parameters.setdefault('$\\omega$ in m^-1', hse_omega.to('1/m').magnitude) AttributeError: 'float' object has no attribute 'to' ``` - [ ] **1**, parsers/fhi-aims, [EbYKP9bsRAy9faXyzpdZMA:4WICKJiugfWhFzud8Ywe7YBL9JRg](https://nomad-lab.eu/prod/rae/reprocess/gui/entry/id/EbYKP9bsRAy9faXyzpdZMA/4WICKJiugfWhFzud8Ywe7YBL9JRg/logs) ``` Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1533, in parse self.parse_method() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1370, in parse_method self.parse_topology() File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1482, in parse_topology parse_atom_type(specie) File "/usr/local/lib/python3.7/site-packages/fhiaimsparser/fhiaims_parser.py", line 1434, in parse_atom_type sec_atom_species.x_fhi_aims_controlInOut_species_cut_pot_scale = val[0][2] File "/app/nomad/metainfo/metainfo.py", line 879, in __setattr__ return super().__setattr__(name, value) File "/app/nomad/metainfo/metainfo.py", line 2141, in __set__ obj.m_set(self, value) File "/app/nomad/metainfo/metainfo.py", line 986, in m_set value = self.__to_np(quantity_def, value) File "/app/nomad/metainfo/metainfo.py", line 964, in __to_np value = quantity_def.type.type(value) ValueError: could not convert string to float: 'Task' ```
issue