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 15:26:44 -876.988443 0.2857MDMin: 184 15:26:44 -876.988478 0.3057MDMin: 185 15:26:45 -876.988514 0.3255MDMin: 186 15:26:45 -876.988550 0.3453MDMin: 187 15:26:45 -876.988588 0.3640MDMin: 188 15:26:45 -876.988624 0.3803MDMin: 189 15:26:45 -876.988660 0.3942MDMin: 190 15:26:45 -876.988696 0.4062MDMin: 191 15:26:45 -876.988734 0.4161MDMin: 192 15:26:45 -876.988771 0.4000MDMin: 193 15:26:45 -876.988807 0.3485MDMin: 194 15:26:45 -876.988842 0.2817MDMin: 195 15:26:45 -876.988878 0.2495MDMin: 196 15:26:45 -876.988915 0.2246MDMin: 197 15:26:46 -876.988952 0.1938MDMin: 198 15:26:46 -876.988988 0.1690MDMin: 199 15:26:46 -876.989024 0.1602MDMin: 200 15:26:46 -876.989062 0.1683[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":35.38,"usertime":183.89,"systime":841.58,"memmax":560712,"memavg":0} output/kim.log: --------------- 2023-09-20:15:26:46MDT * 0 * information * 0xa42c690_0xac88af0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0xa42c690 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x9ba39c0_0xa3ffd20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x9ba39c0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x5677b20_0x5679440 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x5677b20 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x56751f0_0x5676b10 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x56751f0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x56728c0_0x56741e0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x56728c0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x566ff90_0x56718b0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x566ff90 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x566d650_0x566ef80 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x566d650 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x543e300_0x566c6d0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x543e300 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x4ecc670_0x5411a60 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x4ecc670 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x67554a0_0x4ea0350 * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-09-20:15:26:46MDT * 0 * information * 0x67554a0 * KIM_LogImplementation.cpp:119 * Log object destroyed.