RuntimeError: Job process returned error code 1
Traceback (most recent call last):
File "/usr/local/bin/run_openkim_job.py", line 546, in <module>
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:
-----------------------
BFGS: 21 12:44:09 -17.330602 0.036612BFGS: 22 12:44:10 -17.330603 0.000600BFGS: 23 12:44:10 -17.330603 0.000012BFGS: 24 12:44:10 -17.330603 0.000001BFGS: 25 12:44:11 -17.330603 0.000000BFGS: 26 12:44:11 -17.330603 0.000000Minimization converged after 26 steps.Maximum force component: 3.287952927767215e-31 eV/AngstromMaximum stress component: 3.9264047621697186e-11 eV/Angstrom^3==== Minimized structure obtained from ASE ====symbols = ['C', 'C']basis = [[3.33333330e-01 6.66666670e-01 0.00000000e+00] [6.66666663e-01 3.33333337e-01 5.41125633e-35]]cellpar = Cell([[2.5007853014437647, 1.3105644276329232e-17, 1.4492327466854772e-34], [-1.2503926507218823, 2.1657436004610258, 2.95519642565154e-34], [4.080712294870641e-34, 3.1744676128765906e-34, 3.1783239586934857]])forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.28795293e-31 -1.72308840e-48 -1.90540509e-65]]stress = [-3.92640476e-11 -3.92640476e-11 2.31891746e-13 -2.33159995e-35 -8.07689916e-36 7.85140501e-27]energy per atom = -8.5570653058142===============================================
output/pipeline.stderr:
-----------------------
File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 140, in <module> atoms = aflow.build_atoms_from_prototype(species,prototype_label,param_values_superlist[i]) File "/work2/08773/bwaters/stampede2/bwaters/job-9b6013f4-edd3-4ea8-9a87-bd768beb3e00-007-c09ee65c-cace-4ed1-b395-aefddae68c35/TE_937519953396_000-and-SM_429148913211_001-1682975974/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 482, in build_atoms_from_prototype sgdata = self.get_sgdata_from_prototype(species, prototype_label, parameter_values) File "/work2/08773/bwaters/stampede2/bwaters/job-9b6013f4-edd3-4ea8-9a87-bd768beb3e00-007-c09ee65c-cace-4ed1-b395-aefddae68c35/TE_937519953396_000-and-SM_429148913211_001-1682975974/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 442, in get_sgdata_from_prototype output = self.aflow_command(command) File "/work2/08773/bwaters/stampede2/bwaters/job-9b6013f4-edd3-4ea8-9a87-bd768beb3e00-007-c09ee65c-cace-4ed1-b395-aefddae68c35/TE_937519953396_000-and-SM_429148913211_001-1682975974/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 267, in aflow_command return subprocess.check_output(cmd_str, shell=True, stderr=subprocess.PIPE,encoding="utf-8") File "/usr/lib/python3.8/subprocess.py", line 415, in check_output return run(*popenargs, stdout=PIPE, timeout=timeout, check=True, File "/usr/lib/python3.8/subprocess.py", line 493, in run with Popen(*popenargs, **kwargs) as process: File "/usr/lib/python3.8/subprocess.py", line 858, in __init__ self._execute_child(args, executable, preexec_fn, close_fds, File "/usr/lib/python3.8/subprocess.py", line 1639, in _execute_child self.pid = _posixsubprocess.fork_exec(OSError: [Errno 12] Cannot allocate memoryCommand exited with non-zero status 1{"realtime":31.41,"usertime":42.28,"systime":57.77,"memmax":191832,"memavg":0}
output/kim.log:
---------------
2023-05-03:12:44:11CDT * 1 * information * 0x34274e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-05-03:12:44:11CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34274e0'.2023-05-03:12:44:11CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:12:44:11CDT * 0 * information * 0x34274e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:12:44:11CDT * 0 * information * 0x3427ec0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:12:44:11CDT * 1 * information * 0x3427ec0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34274e0_Collections'.2023-05-03:12:44:11CDT * 2 * information * 0x34274e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3427ec0'.2023-05-03:12:44:11CDT * 3 * information * 0x34274e0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:12:44:11CDT * 1 * information * 0x34274e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-03:12:44:11CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34274e0'.2023-05-03:12:44:11CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:12:44:11CDT * 0 * information * 0x34274e0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:12:44:11CDT * 0 * information * 0x3427ec0 * KIM_LogImplementation.cpp:110 * Log object created. Default verbosity level is 'information'.2023-05-03:12:44:11CDT * 1 * information * 0x3427ec0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x34274e0_Collections'.2023-05-03:12:44:11CDT * 2 * information * 0x34274e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3427ec0'.2023-05-03:12:44:11CDT * 3 * information * 0x34274e0_Collections * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:12:44:11CDT * 1 * information * 0x34274e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-05-03:12:44:11CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x34274e0'.2023-05-03:12:44:11CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.2023-05-03:12:44:12CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:120 * Log object destroyed.