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: ----------------------- FIRE: 34 06:22:12 122093682273628651520.000000 118228872908966346752.000000FIRE: 35 06:24:22 127653796327326892032.000000 62588868168450801664.000000FIRE: 36 06:26:38 132658064546901082112.000000 59637129767787986944.000000FIRE: 37 06:28:55 137477953953418100736.000000 59687472806979993600.000000FIRE: 38 06:31:12 140671173631880101888.000000 72165951045950201856.000000FIRE: 39 06:33:22 141537714345304768512.000000 75356512347266891776.000000FIRE: 40 06:35:26 142889877164670205952.000000 53197139214065188864.000000FIRE: 41 06:37:20 143497828246661578752.000000 42386162021357002752.000000FIRE: 42 06:39:28 144367625510008029184.000000 42405016629268733952.000000FIRE: 43 06:41:23 145477257905583767552.000000 39138588943888957440.000000FIRE: 44 06:42:38 146382642476976062464.000000 55716717418480410624.000000FIRE: 45 06:43:53 147118298399178702848.000000 107805536436391706624.000000FIRE: 46 06:45:10 148204780126356275200.000000 84406257141669036032.000000FIRE: 47 06:46:26 148604865778751864832.000000 82390494727854309376.000000FIRE: 48 06:47:43 148839767158542991360.000000 66537884535813357568.000000FIRE: 49 06:48:59 148858408472198512640.000000 19336135976745750528.000000FIRE: 50 06:50:15 148886445093787402240.000000 19314607946491576320.000000WARNING: Max number of steps exceeded. Structure may be unstable.Relaxation Completed. Steps: 50Cell Size Relaxation... output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 730, in get_potential_energy energy = self._calc.get_potential_energy(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 24, in get_potential_energy return self.get_property(name, atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 502, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimmodel.py", line 289, in calculate self._update_neigh(atoms, self._species_map) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/neighborlist.py", line 446, in update self.build() File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 63, in myfunc return check_call(func, *args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/kimpy_wrappers.py", line 54, in check_call return f(*args, **kwargs) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/kim/neighborlist.py", line 361, in build return self.neigh.build(MemoryError: std::bad_array_new_lengthCommand exited with non-zero status 1{"realtime":17998.92,"usertime":40036.69,"systime":3497.53,"memmax":139887684,"memavg":0} output/kim.log: --------------- 2024-04-28:04:02:22CDT * 0 * information * 0x3139fa0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-28:04:02:22CDT * 1 * information * 0x3139fa0 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-28:04:02:22CDT * 0 * information * 0x3139fa0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-28:04:02:22CDT * 0 * information * 0x3143d50 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-28:04:02:22CDT * 1 * information * 0x3143d50 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3139fa0_Collections'.2024-04-28:04:02:22CDT * 2 * information * 0x3139fa0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3143d50'.2024-04-28:04:02:24CDT * 0 * information * 0x3139fa0 * TorchMLModelDriverImplementation.cpp:813 * Loaded Torch model and set to eval2024-04-28:04:02:24CDT * 0 * information * 0x3139fa0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-28:04:02:24CDT * 0 * information * 0x5b1c440 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-28:04:02:24CDT * 1 * information * 0x5b1c440 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3139fa0_0x5b1c440'.2024-04-28:04:02:24CDT * 2 * information * 0x3139fa0_0x5b1c440 * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x5b1c440'.2024-04-28:04:02:24CDT * 3 * information * 0x3139fa0_0x5b1c440 * TorchMLModelDriverImplementation.cpp:158 * Compute argument create2024-04-28:04:02:24CDT * 4 * information * 0x3139fa0_0x5b1c440 * TorchMLModelDriverImplementation.cpp:178 * Register callback supportStatus2024-04-28:09:02:18CDT * 0 * information * 0x3139fa0_0x5b1c440 * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-28:09:02:18CDT * 0 * information * 0x3139fa0 * KIM_LogImplementation.cpp:119 * Log object destroyed.