RuntimeError: Job process returned error code 1 Traceback (most recent call last): File "/usr/local/bin/run_openkim_job.py", line 546, in execute_in_place(runner, runner_driver, subject, subject_driver, env) File "/usr/local/bin/run_openkim_job.py", line 396, in execute_in_place raise RuntimeError(f"Job process returned error code {retcode}") RuntimeError: Job process returned error code 1 output/pipeline.stdout: ----------------------- MDMin: 183 20:32:26 -1145.235515 0.0418MDMin: 184 20:32:27 -1145.235403 0.0459MDMin: 185 20:32:28 -1145.235266 0.0479MDMin: 186 20:32:29 -1145.235118 0.0457MDMin: 187 20:32:30 -1145.234966 0.0415MDMin: 188 20:32:31 -1145.234812 0.0403MDMin: 189 20:32:32 -1145.234659 0.0370MDMin: 190 20:32:33 -1145.234504 0.0366MDMin: 191 20:32:33 -1145.234348 0.0396MDMin: 192 20:32:34 -1145.234193 0.0393MDMin: 193 20:32:35 -1145.234040 0.0384MDMin: 194 20:32:36 -1145.233887 0.0335MDMin: 195 20:32:37 -1145.233736 0.0350MDMin: 196 20:32:38 -1145.233590 0.0392MDMin: 197 20:32:38 -1145.233450 0.0380MDMin: 198 20:32:39 -1145.233319 0.0434MDMin: 199 20:32:40 -1145.233201 0.0527MDMin: 200 20:32:41 -1145.233098 0.0565[ERR1048]NEB Failed: Steps Exceeds Maximum.Vacancy Migration Energy May Not Be Accurate. output/pipeline.stderr: ----------------------- File "../../td/VacancyFormationMigration__TD_554849987965_001/runner", line 254, in getResults migrationEnergy, formationEnergy = self._getResultsForSize(size) File "../../td/VacancyFormationMigration__TD_554849987965_001/runner", line 144, in _getResultsForSize xmax = fmin(f, x[int(C.NEB_POINTS / 2 + 1)], ftol = C.FMIN_FTOL) File "/usr/local/lib/python3.8/dist-packages/scipy/optimize/_optimize.py", line 695, in fmin res = _minimize_neldermead(func, x0, args, callback=callback, **opts) File "/usr/local/lib/python3.8/dist-packages/scipy/optimize/_optimize.py", line 870, in _minimize_neldermead fxr = func(xr) File "/usr/local/lib/python3.8/dist-packages/scipy/optimize/_optimize.py", line 569, in function_wrapper fx = function(np.copy(x), *(wrapper_args + args)) File "/usr/local/lib/python3.8/dist-packages/scipy/interpolate/_polyint.py", line 80, in __call__ y = self._evaluate(x) File "/usr/local/lib/python3.8/dist-packages/scipy/interpolate/_interpolate.py", line 752, in _evaluate below_bounds, above_bounds = self._check_bounds(x_new) File "/usr/local/lib/python3.8/dist-packages/scipy/interpolate/_interpolate.py", line 786, in _check_bounds raise ValueError("A value ({}) in x_new is above "ValueError: A value (23.650000000000055) in x_new is above the interpolation range's maximum value (21).Command exited with non-zero status 1{"realtime":470.24,"usertime":622.08,"systime":2522.13,"memmax":664756,"memavg":0} output/kim.log: --------------- 2023-09-21:20:32:41MDT * 0 * information * 0x443cf80_0x443d1b0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x443cf80 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x669b5d0_0x669b7d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x669b5d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x3e93a20_0x4440420 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x3e93a20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x13304d20_0x13304f50 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x13304d20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x4615060_0xe2b7ce0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x4615060 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x132d6a80_0x132d6cb0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x132d6a80 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0xe2b9bc0_0xe2b9df0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0xe2b9bc0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x14557f00_0x3ea9fb0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x14557f00 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0xe821730_0xfd32f50 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0xe821730 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x131e8410_0x131e85b0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-21:20:32:41MDT * 0 * information * 0x131e8410 * KIM_LogImplementation.cpp:119 * Log object destroyed.