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: ----------------------- [-1.39677983e+03 -3.74376267e+02 -5.60470244e+03] [ 1.39677983e+03 3.74376267e+02 5.60470244e+03] [-1.89744158e+03 5.04138899e+02 7.86448775e+02] [ 1.89744158e+03 -5.04138899e+02 -7.86448775e+02] [ 1.32172893e+03 1.16236009e+02 5.71211537e+03] [-1.32172893e+03 -1.16236009e+02 -5.71211537e+03] [ 4.41720051e-01 -9.37544929e-01 -4.74745756e-01] [-4.41720051e-01 9.37544929e-01 4.74745756e-01] [ 1.24532039e+05 -2.20231004e+05 -2.65302104e+05] [-1.24532039e+05 2.20231004e+05 2.65302104e+05] [ 1.23650061e+05 -2.19203825e+05 -2.65748602e+05] [-1.23650061e+05 2.19203825e+05 2.65748602e+05] [ 7.91956431e+00 -8.35667645e+00 1.43689306e+01] [-7.91956431e+00 8.35667645e+00 -1.43689306e+01] [-6.33085030e+01 1.80826654e+02 -1.32442097e+02] [ 6.33085030e+01 -1.80826654e+02 1.32442097e+02]]stress = [ 0.11533229 0.18871592 -0.05062472 0.01615428 0.06568422 0.08190889]energy per atom = -14.609275630815203===============================================Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. 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=/mmfs1/scratch/bwaters2/bwaters/job-fbbc011a-1533-4051-a007-c792323ba180-007-00064317-658c-4a83-be96-6c6f8b603e39/TE_341249786752_002-and-SM_513612626462_000-1713995376/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP110_2_35i_20i_OTi__TE_341249786752_002/] - [user=bwaters2] - [host=c013] - [PID=1621337] - [date=Wed May 1 16:45:33 2024] - [aflow_xatom.cpp]EEEEE ERROR isTranslationVector(): Zero tolerance: 7.27107e-11 - [dir=/mmfs1/scratch/bwaters2/bwaters/job-fbbc011a-1533-4051-a007-c792323ba180-007-00064317-658c-4a83-be96-6c6f8b603e39/TE_341249786752_002-and-SM_513612626462_000-1713995376/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP110_2_35i_20i_OTi__TE_341249786752_002/] - [user=bwaters2] - [host=c013] - [PID=1621337] - [date=Wed May 1 16:45:33 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ---------------------------------------------------------------------------------------------------------------------------- EEEEE ERROR XSTRUCTURE>>: ERROR 12 in XSTRUCTURE>>:: Input Error (missing flag) - [dir=/mmfs1/scratch/bwaters2/bwaters/job-fbbc011a-1533-4051-a007-c792323ba180-007-00064317-658c-4a83-be96-6c6f8b603e39/TE_341249786752_002-and-SM_513612626462_000-1713995376/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP110_2_35i_20i_OTi__TE_341249786752_002/] - [user=bwaters2] - [host=c013] - [PID=1621338] - [date=Wed May 1 16:45:33 2024] - [aflow_xatom.cpp]EEEEE ERROR XSTRUCTURE>>: No input - [dir=/mmfs1/scratch/bwaters2/bwaters/job-fbbc011a-1533-4051-a007-c792323ba180-007-00064317-658c-4a83-be96-6c6f8b603e39/TE_341249786752_002-and-SM_513612626462_000-1713995376/staged_job_files/repository/te/EquilibriumCrystalStructure_A7B4_aP110_2_35i_20i_OTi__TE_341249786752_002/] - [user=bwaters2] - [host=c013] - [PID=1621338] - [date=Wed May 1 16:45:33 2024] - [aflow_xatom.cpp]EEEEE ---------------------------------------------------------------------------------------------------------------------------- Command exited with non-zero status 1{"realtime":1915.92,"usertime":4346.94,"systime":28085.27,"memmax":147440,"memavg":0} output/kim.log: --------------- 2024-05-01:16:45:31MDT * 1 * information * 0x3afaf00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-05-01:16:45:31MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3afaf00'.2024-05-01:16:45:31MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:16:45:31MDT * 0 * information * 0x3afaf00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:16:45:31MDT * 0 * information * 0x3aeb5e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:16:45:31MDT * 1 * information * 0x3aeb5e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3afaf00_Collections'.2024-05-01:16:45:31MDT * 2 * information * 0x3afaf00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3aeb5e0'.2024-05-01:16:45:31MDT * 3 * information * 0x3afaf00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:16:45:31MDT * 1 * information * 0x3afaf00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-01:16:45:31MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3afaf00'.2024-05-01:16:45:31MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:16:45:31MDT * 0 * information * 0x3afaf00 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:16:45:31MDT * 0 * information * 0x3aeb5e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-05-01:16:45:31MDT * 1 * information * 0x3aeb5e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x3afaf00_Collections'.2024-05-01:16:45:31MDT * 2 * information * 0x3afaf00_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3aeb5e0'.2024-05-01:16:45:31MDT * 3 * information * 0x3afaf00_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:16:45:31MDT * 1 * information * 0x3afaf00 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2024-05-01:16:45:31MDT * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x3afaf00'.2024-05-01:16:45:31MDT * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-05-01:16:45:33MDT * 0 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.