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: ----------------------- Atomic mass of the species (g/mol):28.0855Lattice type (bcc, fcc, sc, or diamond):fccEnter a lattice constant (referred to as a_0 below) in meters about which the energy will be computed (This will usually be the equilibrium lattice constant. Most of the volumes sampled will be about this lattice constant.):1.629762751983549e-10Smallest lattice spacing (referred to as a_min below) at which to compute the energy, expressed as a fraction of a_0 (for example, if you wish for a_min to be equal to 0.8*a_0, specify 0.8 for this value):0.5Largest lattice spacing (referred to as a_max below) at which to compute the energy, expressed as a multiple of a_0 (for example, if you wish for a_max to be equal to 1.5*a_0, specify 1.5 for this value):1.5Number of sample lattice spacings to compute which are >= a_min and < a_0 (one of these sample lattice spacings will be equal to a_min):30Number of sample lattice spacings to compute which are > a_0 and <= a_max (one of these sample lattice spacings will be equal to a_max):23Enter a value of the lower sample spacing parameter (see README.txt for more details):8Enter a value of the upper sample spacing parameter (see README.txt for more details):20Error: Isolated atom energy parsed from LAMMPS is not numerical. Check the LAMMPS log for errors. Exiting... output/pipeline.stderr: ----------------------- [c001:384308] [ 7] /mmfs1/scratch/bwaters2/bwaters/job-92c45b02-3852-49c3-bc69-8df5b7330661-007-e4a28f0e-0e38-49c4-9c72-21d392bf51e1/TE_153579645116_004-and-MO_781946209112_000-1711823197/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN12PytorchModel3RunERN3c106IValueE+0x381)[0x7f7da8ddafb1][c001:384308] [ 8] /mmfs1/scratch/bwaters2/bwaters/job-92c45b02-3852-49c3-bc69-8df5b7330661-007-e4a28f0e-0e38-49c4-9c72-21d392bf51e1/TE_153579645116_004-and-MO_781946209112_000-1711823197/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN32TorchMLModelDriverImplementation3RunEPKN3KIM21ModelComputeArgumentsE+0x5c)[0x7f7da8dd8d7c][c001:384308] [ 9] /mmfs1/scratch/bwaters2/bwaters/job-92c45b02-3852-49c3-bc69-8df5b7330661-007-e4a28f0e-0e38-49c4-9c72-21d392bf51e1/TE_153579645116_004-and-MO_781946209112_000-1711823197/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN32TorchMLModelDriverImplementation7ComputeEPKN3KIM21ModelComputeArgumentsE+0xd)[0x7f7da8dd8e3d][c001:384308] [10] /mmfs1/scratch/bwaters2/bwaters/job-92c45b02-3852-49c3-bc69-8df5b7330661-007-e4a28f0e-0e38-49c4-9c72-21d392bf51e1/TE_153579645116_004-and-MO_781946209112_000-1711823197/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN18TorchMLModelDriver7ComputeEPKN3KIM12ModelComputeEPKNS0_21ModelComputeArgumentsE+0x33)[0x7f7da8dd08e3][c001:384308] [11] /usr/local/lib/libkim-api.so.2(_ZNK3KIM19ModelImplementation12ModelComputeEPKNS_16ComputeArgumentsE+0x4a0)[0x7f7dacda0900][c001:384308] [12] /usr/local/lib/libkim-api.so.2(_ZNK3KIM19ModelImplementation7ComputeEPKNS_16ComputeArgumentsE+0x667)[0x7f7dacdaee67][c001:384308] [13] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS7PairKIM7computeEii+0x20d)[0x7f7dae0e5c2d][c001:384308] [14] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS6Verlet5setupEi+0x3a2)[0x7f7dae02b982][c001:384308] [15] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS3Run7commandEiPPc+0xc7e)[0x7f7dadfc0b8e][c001:384308] [16] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc0f)[0x7f7dade3896f][c001:384308] [17] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input4fileEv+0x175)[0x7f7dade38c25][c001:384308] [18] lammps(+0x13fe)[0x56210f8ed3fe][c001:384308] [19] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf3)[0x7f7dad43d083][c001:384308] [20] lammps(+0x148e)[0x56210f8ed48e][c001:384308] *** End of error message ***../../td/CohesiveEnergyVsLatticeConstant__TD_554653289799_003/runner: line 194: 384308 Segmentation fault (core dumped) lammps -in output/isolated_atom.lammps.in > output/isolated_atom.lammps.logError: Isolated atom energy parsed from LAMMPS is not numerical. Check the LAMMPS log for errors. Exiting...Command exited with non-zero status 1{"realtime":11.88,"usertime":2.08,"systime":0.60,"memmax":322336,"memavg":0} output/kim.log: --------------- 2024-04-11:10:00:04MDT * 3 * information * 0_Model * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-11:10:00:04MDT * 0 * information * 0x56211ac8a9e0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-11:10:00:04MDT * 0 * information * 0x56211b075490 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-11:10:00:04MDT * 1 * information * 0x56211b075490 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x56211ac8a9e0_Collections'.2024-04-11:10:00:04MDT * 2 * information * 0x56211ac8a9e0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x56211b075490'.2024-04-11:10:00:06MDT * 0 * information * 0x56211ac8a9e0 * TorchMLModelDriverImplementation.cpp:813 * Loaded Torch model and set to eval2024-04-11:10:00:06MDT * 0 * information * 0x56211ac8a9e0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2024-04-11:10:00:06MDT * 1 * information * 0x56211ac8a9e0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Model'.2024-04-11:10:00:06MDT * 2 * information * 0_Model * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x56211ac8a9e0'.2024-04-11:10:00:06MDT * 0 * information * 0x56211ab8f660 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-11:10:00:06MDT * 1 * information * 0x56211ab8f660 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Model_0x56211ab8f660'.2024-04-11:10:00:06MDT * 2 * information * 0_Model_0x56211ab8f660 * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x56211ab8f660'.2024-04-11:10:00:06MDT * 3 * information * 0_Model_0x56211ab8f660 * TorchMLModelDriverImplementation.cpp:158 * Compute argument create2024-04-11:10:00:06MDT * 4 * information * 0_Model_0x56211ab8f660 * TorchMLModelDriverImplementation.cpp:178 * Register callback supportStatus2024-04-11:10:00:06MDT * 5 * information * 0_Model_0x56211ab8f660 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_ComputeArguments'.2024-04-11:10:00:06MDT * 6 * information * 0_ComputeArguments * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0_Model_0x56211ab8f660'.2024-04-11:10:00:06MDT * 0 * information * 0x56211b80ac40 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2024-04-11:10:00:06MDT * 1 * information * 0x56211b80ac40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2024-04-11:10:00:06MDT * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x56211b80ac40'.2024-04-11:10:00:06MDT * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.