/scratch.global/bwaters/jobs/cc89feb8-b25c-40c9-b770-8e70b0ce8490-007/TE_761372278666_004-and-MO_800509458712_003-1750890536/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_004/../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner:125: FutureWarning: Please use atoms.calc = calc surf.set_calculator(calc) /scratch.global/bwaters/jobs/cc89feb8-b25c-40c9-b770-8e70b0ce8490-007/TE_761372278666_004-and-MO_800509458712_003-1750890536/staged_job_files/repository/te/SurfaceEnergyCubicCrystalBrokenBondFit_fcc_Al__TE_761372278666_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":9.62,"usertime":6.78,"systime":4.18,"memmax":192804,"memavg":0}