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Evaluator incompatible with phonopy/2.28.0 #12

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ebanyas opened this issue Sep 23, 2024 · 0 comments
Open

Evaluator incompatible with phonopy/2.28.0 #12

ebanyas opened this issue Sep 23, 2024 · 0 comments
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@ebanyas
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ebanyas commented Sep 23, 2024

The Calculator evaluate() method fails when using phonopy/2.28.0:

Traceback (most recent call last):
  File ".../calc_darkmagic_dailymod.py", line 53, in <module>
    run_calc(masses, times, material, light_scalar_mediator)
  File ".../calc_darkmagic_dailymod.py", line 25, in run_calc
    full_calc.evaluate(mpi=True)
  File ".../python3.12/site-packages/darkmagic/calculator.py", line 119, in evaluate
    max_bin_num = math.ceil(self.material.max_dE / self.numerics.bin_width)
                            ^^^^^^^^^^^^^^^^^^^^
  File ".../python3.12/site-packages/darkmagic/material.py", line 365, in max_dE
    self.phonopy_file.run_qpoints([[0, 0, 0]])
  File ".../python3.12/site-packages/phonopy/api_phonopy.py", line 2163, in run_qpoints
    raise RuntimeError(msg)
RuntimeError: Dynamical matrix has not yet built.

Downgrading to phonopy/2.21.0 resolves the issue.

@oashour oashour self-assigned this Sep 26, 2024
@oashour oashour added the bug Something isn't working label Sep 26, 2024
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