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 "../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 275, in File "../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 66, in sweepSurfaces File "../../td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/runner", line 111, in getSurfaceEnergy File "/work2/08773/bwaters/stampede2/bwaters/job-04f332e7-e2ed-4883-aaa9-41118ca49c72-007-eec2242d-dbc5-446c-a08c-19013b815a12/TE_493894422725_004-and-MO_332211522050_002-1688067178/staged_job_files/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/surface.py", line 89, in makeSurface File "/work2/08773/bwaters/stampede2/bwaters/job-04f332e7-e2ed-4883-aaa9-41118ca49c72-007-eec2242d-dbc5-446c-a08c-19013b815a12/TE_493894422725_004-and-MO_332211522050_002-1688067178/staged_job_files/repository/td/SurfaceEnergyCubicCrystalBrokenBondFit__TD_955413365818_004/surface.py", line 142, in build File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 1849, 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 Command exited with non-zero status 130 {"realtime":8.95,"usertime":11.37,"systime":26.56,"memmax":120032,"memavg":0}