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 15:26:33 -275.867106 0.0591MDMin: 184 15:26:33 -275.867112 0.0611MDMin: 185 15:26:33 -275.867119 0.0704MDMin: 186 15:26:34 -275.867126 0.0804MDMin: 187 15:26:34 -275.867134 0.0906MDMin: 188 15:26:34 -275.867142 0.0990MDMin: 189 15:26:34 -275.867147 0.1050MDMin: 190 15:26:34 -275.867153 0.1112MDMin: 191 15:26:34 -275.867160 0.1191MDMin: 192 15:26:34 -275.867167 0.1302MDMin: 193 15:26:34 -275.867174 0.1436MDMin: 194 15:26:34 -275.867181 0.1540MDMin: 195 15:26:34 -275.867188 0.1531MDMin: 196 15:26:34 -275.867194 0.1386MDMin: 197 15:26:34 -275.867201 0.1095MDMin: 198 15:26:34 -275.867209 0.0713MDMin: 199 15:26:34 -275.867218 0.0498MDMin: 200 15:26:34 -275.867227 0.0502[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 781, in _check_bounds raise ValueError("A value ({}) in x_new is below "ValueError: A value (-1.1000000000000156) in x_new is below the interpolation range's minimum value (0).Command exited with non-zero status 1{"realtime":21.72,"usertime":71.95,"systime":360.19,"memmax":402936,"memavg":0} output/kim.log: --------------- 2023-09-20:15:26:35MDT * 0 * information * 0x56f9640_0x56f9780 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x56f9640 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x51e8a10_0x545a600 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x51e8a10 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c49ce0_0x3c49e20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c49ce0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c47500_0x3c47640 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c47500 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c44d20_0x3c44e60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c44d20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c2ecb0_0x3c2edf0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3c2ecb0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3b9f0e0_0x3b9f220 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3b9f0e0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x39afbf0_0x39afd30 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x39afbf0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3710a70_0x3710bb0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3710a70 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3471750_0x3471830 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:35MDT * 0 * information * 0x3471750 * KIM_LogImplementation.cpp:119 * Log object destroyed.