/scratch.global/bwaters/jobs/4e7b7a3b-454c-4ef6-9e63-2b47a17e445d-007/TE_140814555761_006-and-MO_993644691224_001-1751907046/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Pd__TE_140814555761_006/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/4e7b7a3b-454c-4ef6-9e63-2b47a17e445d-007/TE_140814555761_006-and-MO_993644691224_001-1751907046/staged_job_files/repository/te/ElasticConstantsCubic_bcc_Pd__TE_140814555761_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":2.80,"usertime":1.25,"systime":1.66,"memmax":98280,"memavg":0}