/scratch.global/bwaters/jobs/154ab94d-5a50-4577-9c1d-8f59196d6688-007/TE_689904280697_004-and-MO_808763161866_001-1752108817/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.global/bwaters/jobs/154ab94d-5a50-4577-9c1d-8f59196d6688-007/TE_689904280697_004-and-MO_808763161866_001-1752108817/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":10.28,"usertime":8.02,"systime":4.75,"memmax":243464,"memavg":0}