Traceback (most recent call last): File "/disk2/worker/repository/td/VacancyFormationMigration__TD_554849987965_000/runner", line 363, in main() File "/disk2/worker/repository/td/VacancyFormationMigration__TD_554849987965_000/runner", line 353, in main res = instance.getResults() File "/disk2/worker/repository/td/VacancyFormationMigration__TD_554849987965_000/runner", line 252, in getResults migrationEnergy, formationEnergy = self._getResultsForSize(size) File "/disk2/worker/repository/td/VacancyFormationMigration__TD_554849987965_000/runner", line 142, in _getResultsForSize xmax = fmin(f, x[C.NEB_POINTS / 2 + 1], ftol = C.FMIN_FTOL) File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 408, in fmin res = _minimize_neldermead(func, x0, args, callback=callback, **opts) File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 548, in _minimize_neldermead fxr = func(xr) File "/usr/local/lib/python2.7/dist-packages/scipy/optimize/optimize.py", line 292, in function_wrapper return function(*(wrapper_args + args)) File "/usr/local/lib/python2.7/dist-packages/scipy/interpolate/polyint.py", line 79, in __call__ y = self._evaluate(x) File "/usr/local/lib/python2.7/dist-packages/scipy/interpolate/interpolate.py", line 634, in _evaluate below_bounds, above_bounds = self._check_bounds(x_new) File "/usr/local/lib/python2.7/dist-packages/scipy/interpolate/interpolate.py", line 666, in _check_bounds raise ValueError("A value in x_new is above the interpolation " ValueError: A value in x_new is above the interpolation range. Command exited with non-zero status 1 {"usertime":122.47,"memmax":226420,"memavg":0}