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 17:44:20 -1133.876446 0.342421MDMin: 184 17:44:21 -1133.876468 0.359775MDMin: 185 17:44:21 -1133.876487 0.359554MDMin: 186 17:44:22 -1133.876505 0.367747MDMin: 187 17:44:22 -1133.876523 0.391079MDMin: 188 17:44:22 -1133.876539 0.381314MDMin: 189 17:44:23 -1133.876553 0.344483MDMin: 190 17:44:23 -1133.876563 0.299775MDMin: 191 17:44:24 -1133.876573 0.249911MDMin: 192 17:44:24 -1133.876584 0.225780MDMin: 193 17:44:25 -1133.876593 0.268308MDMin: 194 17:44:25 -1133.876601 0.289658MDMin: 195 17:44:25 -1133.876608 0.306381MDMin: 196 17:44:26 -1133.876613 0.356890MDMin: 197 17:44:26 -1133.876241 0.411994MDMin: 198 17:44:27 -1133.876257 0.441625MDMin: 199 17:44:27 -1133.876210 0.406423MDMin: 200 17:44:27 -1133.876213 0.339538[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":99.90,"usertime":143.06,"systime":237.52,"memmax":277992,"memavg":0} output/kim.log: --------------- 2024-10-01:17:44:28EDT * 0 * information * 0x3cf3de0_0x3d22e90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3cf3de0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3cc55a0_0x3cf4650 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3cc55a0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c96d60_0x3cc5e10 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c96d60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c68520_0x3c975d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c68520 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c39ce0_0x3c68d90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c39ce0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c0b4a0_0x3c3a550 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3c0b4a0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3bdce20_0x3c0bd10 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3bdce20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3bae810_0x3bdd690 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3bae810 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x48fa620_0x3baeff0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x48fa620 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3f64740_0x48d2c30 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-10-01:17:44:28EDT * 0 * information * 0x3f64740 * KIM_LogImplementation.cpp:119 * Log object destroyed.