OpenBLAS blas_thread_init: pthread_create failed for thread 26 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 35 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 36 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 37 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 38 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 39 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 40 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 41 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 42 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 43 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 44 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 45 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 46 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 47 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 48 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 49 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 50 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 51 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 52 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 53 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 54 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 55 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 56 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 57 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 58 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 59 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 60 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 61 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 62 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max OpenBLAS blas_thread_init: pthread_create failed for thread 63 of 64: Resource temporarily unavailable OpenBLAS blas_thread_init: RLIMIT_NPROC 4096 current, 16384 max Traceback (most recent call last): File "/work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/TE_448573160772_000-and-MO_612732924171_002-1683686003/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 510, in build_atoms_from_prototype dataset=refine_symmetry(atoms) File "/usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py", line 41, in refine_symmetry dataset = check_symmetry(atoms, symprec, verbose=verbose) File "/usr/local/lib/python3.8/dist-packages/ase/spacegroup/symmetrize.py", line 93, in check_symmetry dataset = spglib.get_symmetry_dataset(atoms_to_spglib_cell(atoms), File "/usr/local/lib/python3.8/dist-packages/ase/utils/__init__.py", line 596, in atoms_to_spglib_cell atoms.get_scaled_positions(), File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 1858, in get_scaled_positions fractional = self.cell.scaled_positions(self.positions) File "/usr/local/lib/python3.8/dist-packages/ase/cell.py", line 258, in scaled_positions return np.linalg.solve(self.complete().T, np.transpose(positions)).T File "<__array_function__ internals>", line 200, in solve File "/usr/local/lib/python3.8/dist-packages/numpy/linalg/linalg.py", line 386, in solve r = gufunc(a, b, signature=signature, extobj=extobj) KeyboardInterrupt During handling of the above exception, another exception occurred: Traceback (most recent call last): File "../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner", line 140, in atoms = aflow.build_atoms_from_prototype(species,prototype_label,param_values_superlist[i]) File "/work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/TE_448573160772_000-and-MO_612732924171_002-1683686003/staged_job_files/repository/td/EquilibriumCrystalStructure__TD_457028483760_000/util/aflow_util.py", line 512, in build_atoms_from_prototype raise self.failedRefineSymmetryException("WARNING: Error while trying to refine symmetry of ASE atoms object") util.aflow_util.failedRefineSymmetryException: WARNING: Error while trying to refine symmetry of ASE atoms object Segmentation fault Command exited with non-zero status 139 {"realtime":20.26,"usertime":26.20,"systime":26.18,"memmax":113276,"memavg":0}