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: ----------------------- convergence : 0.000000 - 0.000000 temps dans charges : 0.000054 seconde. ======================================================== A la fin de ComputeNewton_pair : 1, evflag 1, tail_flag 0,vflag_fdotr 0neighbor->includegroup 0Energie de la team 0 -- 0 atome -------(nteam = 1) ============================================ Energie de la team 1 -- 1 atome -------(nteam = 1) Vself -2.437299, Som q2 : 0.000000, nmol 1.000000Energie coul tot : 0.000000 | 0.000000 par molEnergie ionique : 0.000000 | 0.000000 par molEnergie elect tot : 0.000000 | 0.000000 par molEnergie cp pair ox : 0.000000 | 0.000000 par molEnergie cp pair sm : 0.000000 | 0.000000 par molEnergie cov sm : 0.000000 | 0.000000 par molEnergie totale : 0.000000 | 0.000000 par mol================================================= output/pipeline.stderr: ----------------------- find_unique_materials_and_write_properties(COMPARE_DIR, prototype_label, energy_per_atom, species) File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/property_util/equilibrium_crystal_structure.py", line 215, in find_unique_materials_and_write_properties relax_proto_des=aflow.get_prototype(relax_poscar_path) File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/aflow_util.py", line 355, in get_prototype output=self.aflow_command([ File "/usr/local/lib/python3.8/dist-packages/crystal_genome_util/aflow_util.py", line 272, in aflow_command raise RuntimeError("ERROR: unexpected error from aflow command %s , error code = %d\nstderr: %s" % (cmd_str, exc.returncode, exc.stderr))RuntimeError: ERROR: unexpected error from aflow command aflow --np=1 --prim < compare/0 | aflow --np=1 --prototype --print=json , error code = 12stderr: EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ERROR isTranslationVector(): ERROR 31 in isTranslationVector():: Value Error (illegal value) - [dir=/scratch.global/bwaters/jobs/bwaters/job-63ba9085-bb84-430f-bbac-5f58bf7f149e-007-184b04ed-5f49-4395-aa36-ea269c4078e9/TE_766472130989_002-and-SM_349577644423_000-1715206473/staged_job_files/repository/te/EquilibriumCrystalStructure_AB6_hP14_163_c_i_OTi__TE_766472130989_002/] - [user=bwaters] - [host=acn64] - [PID=98268] - [date=Wed May 8 18:55:56 2024] - [aflow_xatom.cpp]EEEEE ERROR isTranslationVector(): Zero tolerance: 3.12252e-13 - [dir=/scratch.global/bwaters/jobs/bwaters/job-63ba9085-bb84-430f-bbac-5f58bf7f149e-007-184b04ed-5f49-4395-aa36-ea269c4078e9/TE_766472130989_002-and-SM_349577644423_000-1715206473/staged_job_files/repository/te/EquilibriumCrystalStructure_AB6_hP14_163_c_i_OTi__TE_766472130989_002/] - [user=bwaters] - [host=acn64] - [PID=98268] - [date=Wed May 8 18:55:56 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ERROR XSTRUCTURE>>: ERROR 12 in XSTRUCTURE>>:: Input Error (missing flag) - [dir=/scratch.global/bwaters/jobs/bwaters/job-63ba9085-bb84-430f-bbac-5f58bf7f149e-007-184b04ed-5f49-4395-aa36-ea269c4078e9/TE_766472130989_002-and-SM_349577644423_000-1715206473/staged_job_files/repository/te/EquilibriumCrystalStructure_AB6_hP14_163_c_i_OTi__TE_766472130989_002/] - [user=bwaters] - [host=acn64] - [PID=98269] - [date=Wed May 8 18:55:56 2024] - [aflow_xatom.cpp]EEEEE ERROR XSTRUCTURE>>: No input - [dir=/scratch.global/bwaters/jobs/bwaters/job-63ba9085-bb84-430f-bbac-5f58bf7f149e-007-184b04ed-5f49-4395-aa36-ea269c4078e9/TE_766472130989_002-and-SM_349577644423_000-1715206473/staged_job_files/repository/te/EquilibriumCrystalStructure_AB6_hP14_163_c_i_OTi__TE_766472130989_002/] - [user=bwaters] - [host=acn64] - [PID=98269] - [date=Wed May 8 18:55:56 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- Command exited with non-zero status 1{"realtime":701.91,"usertime":566.67,"systime":119.03,"memmax":4063772,"memavg":0} output/kim.log: --------------- 2024-05-08:18:55:51CDT * 1 * information * 0x431062a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-08:18:55:51CDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x431062a0'.2024-05-08:18:55:51CDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-08:18:55:51CDT * 0 * information * 0x431062a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-08:18:55:51CDT * 0 * information * 0x95f2e80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-08:18:55:51CDT * 1 * information * 0x95f2e80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x431062a0_Collections'.2024-05-08:18:55:51CDT * 2 * information * 0x431062a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x95f2e80'.2024-05-08:18:55:51CDT * 3 * information * 0x431062a0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-08:18:55:51CDT * 1 * information * 0x431062a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-08:18:55:51CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x431062a0'.2024-05-08:18:55:51CDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-08:18:55:51CDT * 0 * information * 0x431062a0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-08:18:55:51CDT * 0 * information * 0x95f2e80 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-08:18:55:51CDT * 1 * information * 0x95f2e80 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x431062a0_Collections'.2024-05-08:18:55:51CDT * 2 * information * 0x431062a0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x95f2e80'.2024-05-08:18:55:51CDT * 3 * information * 0x431062a0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-08:18:55:51CDT * 1 * information * 0x431062a0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-08:18:55:51CDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x431062a0'.2024-05-08:18:55:53CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-08:18:55:56CDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.