/scratch/08773/bwaters/jobs/jobs/54e1eccc-929d-4613-85b1-a4be20365f4b-007/TE_689904280697_004-and-MO_270337113239_006-1755851853/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc surf.set_calculator(calc) /scratch/08773/bwaters/jobs/jobs/54e1eccc-929d-4613-85b1-a4be20365f4b-007/TE_689904280697_004-and-MO_270337113239_006-1755851853/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Cu__TE_689904280697_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:128: FutureWarning: Please use len(self) or, if your atoms are distributed, self.get_global_number_of_atoms. num_atoms = surf.get_number_of_atoms() {"realtime":18.34,"usertime":14.29,"systime":2.48,"memmax":219644,"memavg":0}