/scratch.global/bwaters/jobs/6ccfa61c-f0e0-4959-b3fe-ee179435b26f-007/TE_362575405667_001-and-MO_675947402254_000-1750716625/staged_job_files/repository/te/ElasticConstantsCubic_diamond_Mn__TE_362575405667_001/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:45: FutureWarning: Please use atoms.calc = calc self.slab.set_calculator(self.calculator) /scratch.global/bwaters/jobs/6ccfa61c-f0e0-4959-b3fe-ee179435b26f-007/TE_362575405667_001-and-MO_675947402254_000-1750716625/staged_job_files/repository/te/ElasticConstantsCubic_diamond_Mn__TE_362575405667_001/../../td/ElasticConstantsCubic__TD_011862047401_006/runner:120: RuntimeWarning: Maximum number of iterations has been exceeded. fmin(self.energy_from_scale, 0, xtol=0, ftol=1e-7, maxiter=2000) /scratch.global/bwaters/jobs/6ccfa61c-f0e0-4959-b3fe-ee179435b26f-007/TE_362575405667_001-and-MO_675947402254_000-1750716625/staged_job_files/repository/te/ElasticConstantsCubic_diamond_Mn__TE_362575405667_001/../../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( Segmentation fault Command exited with non-zero status 139 {"realtime":61.14,"usertime":55.70,"systime":29.82,"memmax":7340568,"memavg":0}