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 15:25:14 -25.677553 0.0331MDMin: 184 15:25:15 -25.677554 0.0294MDMin: 185 15:25:16 -25.677554 0.0264MDMin: 186 15:25:16 -25.677555 0.0253MDMin: 187 15:25:17 -25.677556 0.0238MDMin: 188 15:25:18 -25.677556 0.0217MDMin: 189 15:25:19 -25.677558 0.0189MDMin: 190 15:25:20 -25.677559 0.0149MDMin: 191 15:25:20 -25.677561 0.0105MDMin: 192 15:25:21 -25.677562 0.0106MDMin: 193 15:25:22 -25.677564 0.0165MDMin: 194 15:25:23 -25.677565 0.0368MDMin: 195 15:25:24 -25.677566 0.0663MDMin: 196 15:25:25 -25.677567 0.0109MDMin: 197 15:25:25 -25.677568 0.0192MDMin: 198 15:25:26 -25.677568 0.0238MDMin: 199 15:25:26 -25.677568 0.0284MDMin: 200 15:25:26 -25.677569 0.0239[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":126.03,"usertime":364.74,"systime":2638.49,"memmax":542808,"memavg":0} output/kim.log: --------------- 2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:25:26MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.