Skip to content

Dimer example not running

When running the example dimer-self-diffusion.vm, no matter in which evaluation mode, I get this error:

Traceback (most recent call last):
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 303, in wrapper
    return func(*args, **kwargs)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/cli/__init__.py", line 38, in texts
    clargs.func(clargs)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/cli/run_model.py", line 163, in main
    evaluate_prog(prog)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 305, in wrapper
    process_error(err)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 293, in process_error
    raise err.__cause__
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 208, in wrapper
    return func(*args, **kwargs)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/typemap.py", line 116, in wrapper
    return checktype_(func(obj), obj.type_)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/interpreter/instant_executor.py", line 60, in program_value
    vals = [p.value for p in get_children_of_type('Print', self) if p.value]
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/interpreter/instant_executor.py", line 60, in <listcomp>
    vals = [p.value for p in get_children_of_type('Print', self) if p.value]
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 305, in wrapper
    process_error(err)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 293, in process_error
    raise err.__cause__
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 208, in wrapper
    return func(*args, **kwargs)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/typemap.py", line 116, in wrapper
    return checktype_(func(obj), obj.type_)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/interpreter/instant_executor.py", line 570, in amml_algorithm_value
    return amml.Algorithm(self.name, params, self.many_to_one)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/amml.py", line 424, in __init__
    super().__init__(name, parameters)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/amml.py", line 334, in __init__
    check_params_units(self.name, self.parameters)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/ase_params.py", line 1511, in check_params_units
    get_params_magnitudes(dict(row), name)
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/ase_params.py", line 1475, in get_params_magnitudes
    magnitudes[par] = val.to(units[par]).magnitude
  File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/plain/quantity.py", line 536, in to
    magnitude = self._convert_magnitude_not_inplace(other, *contexts, **ctx_kwargs)
  File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/plain/quantity.py", line 480, in _convert_magnitude_not_inplace
    return self._REGISTRY.convert(self._magnitude, self._units, other)
  File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/plain/registry.py", line 1050, in convert
    return self._convert(value, src, dst, inplace)
  File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/context/registry.py", line 405, in _convert
    return super()._convert(value, src, dst, inplace)
  File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/nonmultiplicative/registry.py", line 251, in _convert
    dst_offset_unit = self._validate_and_extract(dst)
  File "/mnt/data/ubuntu/work/python-3.10.12/lib/python3.10/site-packages/pint/facets/nonmultiplicative/registry.py", line 166, in _validate_and_extract
    (u, e) for u, e in units.items() if not self._is_multiplicative(u)
AttributeError: 'NoneType' object has no attribute 'items'

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "/mnt/data/ubuntu/work/python-3.10.12/bin/texts", line 8, in <module>
    sys.exit(texts())
  File "/mnt/data/ubuntu/work/vre-language/src/virtmat/language/utilities/errors.py", line 338, in wrapper
    raise RuntimeError('non-handled exception') from err
RuntimeError: non-handled exception
Edited by Ivan Kondov