/scratch.global/bwaters/jobs/e351b568-bb31-423a-9ff0-3230a6b2ede1-007/TE_746865778644_001-and-MO_885079680379_006-1751989531/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:128: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)
/scratch.global/bwaters/jobs/e351b568-bb31-423a-9ff0-3230a6b2ede1-007/TE_746865778644_001-and-MO_885079680379_006-1751989531/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:131: FutureWarning: Please use len(self) or, if your atoms are distributed, self.get_global_number_of_atoms.
  numAtoms = atoms.get_number_of_atoms()
/scratch.global/bwaters/jobs/e351b568-bb31-423a-9ff0-3230a6b2ede1-007/TE_746865778644_001-and-MO_885079680379_006-1751989531/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:143: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(self.calc)
/scratch.global/bwaters/jobs/e351b568-bb31-423a-9ff0-3230a6b2ede1-007/TE_746865778644_001-and-MO_885079680379_006-1751989531/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:181: FutureWarning: Please use len(self) or, if your atoms are distributed, self.get_global_number_of_atoms.
  numAtoms = atoms.get_number_of_atoms()
/scratch.global/bwaters/jobs/e351b568-bb31-423a-9ff0-3230a6b2ede1-007/TE_746865778644_001-and-MO_885079680379_006-1751989531/staged_job_files/repository/te/VacancyFormationEnergyRelaxationVolume_hcp_Co__TE_746865778644_001/../../td/VacancyFormationEnergyRelaxationVolume__TD_647413317626_001/runner:485: FutureWarning: Please use len(self) or, if your atoms are distributed, self.get_global_number_of_atoms.
  ('reservoir-cohesive-potential-energy', V(-unitBulk.get_potential_energy()/unitBulk.get_number_of_atoms(), UNIT_ENERGY)),

{"realtime":52.18,"usertime":59.81,"systime":88.45,"memmax":89056,"memavg":0}