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  • nomad-FAIRnomad-FAIR
  • Issues
  • #682

Closed
Open
Created Dec 03, 2021 by Simon Gabaj@gabajsimDeveloper

ArchiveQuery gives error 502

reference_query_required_sections = {
    'section_metadata': {
        'calc_id': '*',
        'formula': '*',
        'dft' : {
            'xc_functional' : '*'
        },
        'encyclopedia': {
            'material': {
                'material_id': '*',
                'idealized_structure' :{
                    'cell_volume' : '*'
                }
            },
            'properties': {
                'energies': {
                    'energy_total': '*'
                },
                'electronic_dos': '*'
                }
        }
    },
    'section_workflow': {
            'calculation_result_ref' : '*'
    },
    'section_run' : '*'
}

search_query_parameters = {
    'domain': 'dft',
    'dft.system': 'bulk',
    'dft.optimade.nelements': '3',
    'dft.code_name': 'VASP',
    'dft.xc_functional' : 'GGA',
    'dft.searchable_quantities': ['electronic_dos'],
    'atoms': ['Ga', 'As']
}

query_GaAs_alloy = query_archive(query =  search_query_parameters,
                                 required = reference_query_required_sections,
                                 per_page=4276,
                                 parallel=10,
                                 max=10000)

print(query_GaAs_alloy)

outputs:

QueryError: The query is invalid for unknown reasons (502).
Edited Dec 03, 2021 by Simon Gabaj
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