[acn100:1128779] [[12064,0],0] ORTE_ERROR_LOG: Out of resource in file util/show_help.c at line 501 [acn100:1128779] [[12064,0],0] ORTE_ERROR_LOG: Data unpack had inadequate space in file util/show_help.c at line 513 [acn100:1128776] *** Process received signal *** [acn100:1128776] Signal: Segmentation fault (11) [acn100:1128776] Signal code: (128) [acn100:1128776] Failing at address: (nil) [acn100:1128776] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x43090)[0x7f98854ab090] [acn100:1128776] [ 1] /usr/local/lib/libtorch_cpu.so(+0x46b846e)[0x7f985b42346e] [acn100:1128776] [ 2] /usr/local/lib/libtorch_cpu.so(+0x46b9b70)[0x7f985b424b70] [acn100:1128776] [ 3] /usr/local/lib/libtorch_cpu.so(+0x46c71fb)[0x7f985b4321fb] [acn100:1128776] [ 4] /usr/local/lib/libtorch_cpu.so(_ZN5torch3jit16InterpreterState3runERSt6vectorIN3c106IValueESaIS4_EE+0x52)[0x7f985b41f212] [acn100:1128776] [ 5] /usr/local/lib/libtorch_cpu.so(+0x46a71a6)[0x7f985b4121a6] [acn100:1128776] [ 6] /usr/local/lib/libtorch_cpu.so(_ZNK5torch3jit6MethodclESt6vectorIN3c106IValueESaIS4_EERKSt13unordered_mapINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES4_St4hashISD_ESt8equal_toISD_ESaISt4pairIKSD_S4_EEE+0x180)[0x7f985b095170] [acn100:1128776] [ 7] /scratch.global/bwaters/jobs/bwaters/job-3124a08d-fbae-4ce3-862d-c14babf69df0-007-53826c7e-4944-4628-8f42-6b2d5831a2f3/TE_785875899151_003-and-MO_781946209112_000-1711746720/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN12PytorchModel3RunERN3c106IValueE+0x381)[0x7f9880e2dfb1] [acn100:1128776] [ 8] /scratch.global/bwaters/jobs/bwaters/job-3124a08d-fbae-4ce3-862d-c14babf69df0-007-53826c7e-4944-4628-8f42-6b2d5831a2f3/TE_785875899151_003-and-MO_781946209112_000-1711746720/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN32TorchMLModelDriverImplementation3RunEPKN3KIM21ModelComputeArgumentsE+0x5c)[0x7f9880e2bd7c] [acn100:1128776] [ 9] /scratch.global/bwaters/jobs/bwaters/job-3124a08d-fbae-4ce3-862d-c14babf69df0-007-53826c7e-4944-4628-8f42-6b2d5831a2f3/TE_785875899151_003-and-MO_781946209112_000-1711746720/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN32TorchMLModelDriverImplementation7ComputeEPKN3KIM21ModelComputeArgumentsE+0xd)[0x7f9880e2be3d] [acn100:1128776] [10] /scratch.global/bwaters/jobs/bwaters/job-3124a08d-fbae-4ce3-862d-c14babf69df0-007-53826c7e-4944-4628-8f42-6b2d5831a2f3/TE_785875899151_003-and-MO_781946209112_000-1711746720/staged_job_files/repository/md/TorchML__MD_173118614730_000/libkim-api-model-driver.so(_ZN18TorchMLModelDriver7ComputeEPKN3KIM12ModelComputeEPKNS0_21ModelComputeArgumentsE+0x33)[0x7f9880e238e3] [acn100:1128776] [11] /usr/local/lib/libkim-api.so.2(_ZNK3KIM19ModelImplementation12ModelComputeEPKNS_16ComputeArgumentsE+0x4a0)[0x7f9884def900] [acn100:1128776] [12] /usr/local/lib/libkim-api.so.2(_ZNK3KIM19ModelImplementation7ComputeEPKNS_16ComputeArgumentsE+0x667)[0x7f9884dfde67] [acn100:1128776] [13] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS7PairKIM7computeEii+0x20d)[0x7f9886134c2d] [acn100:1128776] [14] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS6Verlet5setupEi+0x3a2)[0x7f988607a982] [acn100:1128776] [15] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS3Run7commandEiPPc+0xc7e)[0x7f988600fb8e] [acn100:1128776] [16] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input15execute_commandEv+0xc0f)[0x7f9885e8796f] [acn100:1128776] [17] /usr/local/lib/liblammps.so.0(_ZN9LAMMPS_NS5Input4fileEv+0x175)[0x7f9885e87c25] [acn100:1128776] [18] lammps(+0x13fe)[0x55d7397383fe] [acn100:1128776] [19] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf3)[0x7f988548c083] [acn100:1128776] [20] lammps(+0x148e)[0x55d73973848e] [acn100:1128776] *** End of error message *** Traceback (most recent call last): File "../../td/ClusterEnergyAndForces__TD_000043093022_003/runner", line 46, in run_lammps lammps_process = subprocess.check_call( File "/usr/lib/python3.8/subprocess.py", line 364, in check_call raise CalledProcessError(retcode, cmd) subprocess.CalledProcessError: Command '['lammps', '-in', 'isolated_atom.lammps.Si.in']' died with . During handling of the above exception, another exception occurred: Traceback (most recent call last): File "../../td/ClusterEnergyAndForces__TD_000043093022_003/runner", line 217, in isolated_atom_energies[symbol] = get_isolated_atom_energy( File "../../td/ClusterEnergyAndForces__TD_000043093022_003/runner", line 72, in get_isolated_atom_energy run_lammps(templated_input, lammps_output) File "../../td/ClusterEnergyAndForces__TD_000043093022_003/runner", line 56, in run_lammps raise Exception("LAMMPS did not exit properly:\n" + extrainfo) Exception: LAMMPS did not exit properly: LAMMPS (2 Aug 2023 - Update 1) Command exited with non-zero status 1 {"realtime":3.50,"usertime":2.01,"systime":0.94,"memmax":273480,"memavg":0}