* Error (Neighbor List) : "Collision of atoms 5 and 470. Their distance is 2.99259e-06. " : 205:kimpy/neighlist/neighbor_list.cpp Traceback (most recent call last): File "/mmfs1/scratch/bwaters2/bwaters/job-c9cafa10-a2a7-41f1-9ef2-b6b9e1dee185-007-362ad8e9-e0ff-4a2b-a5db-348edaf93261/TE_263342662941_001-and-MO_612732924171_002-1695763944/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_001/crystal_genome_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 516, in run raise CalledProcessError(retcode, process.args, subprocess.CalledProcessError: Command 'aflow --np=1 --compare_materials -D compare --no_scale_volume --screen_only --quiet --print=json' returned non-zero exit status 32. During handling of the above exception, another exception occurred: Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner", line 170, in find_unique_materials_and_write_properties(COMPARE_DIR, prototype_label, energy_per_atom, species) File "/mmfs1/scratch/bwaters2/bwaters/job-c9cafa10-a2a7-41f1-9ef2-b6b9e1dee185-007-362ad8e9-e0ff-4a2b-a5db-348edaf93261/TE_263342662941_001-and-MO_612732924171_002-1695763944/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_001/crystal_genome_util/equilibrium_crystal_structure_property_util.py", line 487, in find_unique_materials_and_write_properties comparison=aflow.compare_materials_dir(compare_dir) File "/mmfs1/scratch/bwaters2/bwaters/job-c9cafa10-a2a7-41f1-9ef2-b6b9e1dee185-007-362ad8e9-e0ff-4a2b-a5db-348edaf93261/TE_263342662941_001-and-MO_612732924171_002-1695763944/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_001/crystal_genome_util/aflow_util.py", line 309, in compare_materials_dir output=self.aflow_command([ File "/mmfs1/scratch/bwaters2/bwaters/job-c9cafa10-a2a7-41f1-9ef2-b6b9e1dee185-007-362ad8e9-e0ff-4a2b-a5db-348edaf93261/TE_263342662941_001-and-MO_612732924171_002-1695763944/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_001/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 --compare_materials -D compare --no_scale_volume --screen_only --quiet --print=json , error code = 32 stderr: Command exited with non-zero status 1 {"realtime":24.58,"usertime":7.53,"systime":17.02,"memmax":140272,"memavg":0}