/scratch.global/bwaters/jobs/9c15173d-4d15-4931-b97a-dbc523f5d679-007/TE_077792808740_006-and-MO_675947402254_000-1750715629/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Ni__TE_077792808740_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/9c15173d-4d15-4931-b97a-dbc523f5d679-007/TE_077792808740_006-and-MO_675947402254_000-1750715629/staged_job_files/repository/te/ElasticConstantsCubic_fcc_Ni__TE_077792808740_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":15.78,"usertime":16.13,"systime":22.00,"memmax":101020,"memavg":0}