/scratch.global/bwaters/jobs/46beda85-91e3-4c6e-b0be-db6e7ce1acfb-007/TE_667647618175_006-and-MO_800536961967_004-1750961151/staged_job_files/repository/te/ElasticConstantsCubic_sc_Ni__TE_667647618175_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/46beda85-91e3-4c6e-b0be-db6e7ce1acfb-007/TE_667647618175_006-and-MO_800536961967_004-1750961151/staged_job_files/repository/te/ElasticConstantsCubic_sc_Ni__TE_667647618175_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:119: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) self.minscale = float( {"realtime":2.03,"usertime":1.10,"systime":1.17,"memmax":88928,"memavg":0}