/usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) /usr/local/lib/python3.8/dist-packages/ase/atoms.py:504: VisibleDeprecationWarning: Creating an ndarray from ragged nested sequences (which is a list-or-tuple of lists-or-tuples-or ndarrays with different lengths or shapes) is deprecated. If you meant to do this, you must specify 'dtype=object' when creating the ndarray. a = np.asarray(a) /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:596: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead nth[n], np.asscalar(val), yesno[is_continuous] /work/07753/dskarls/stampede2/jobs/dskarls/job-9de808c6-f60a-421f-b80e-95abe655506a-007-bd2c3304-b613-4a98-a98a-7f2bf2087004/VC_303890932454_004-and-MO_018428823000_001-1653019657/staged_job_files/repository/vc/DimerContinuityC1__VC_303890932454_004/runner:677: DeprecationWarning: np.asscalar(a) is deprecated since NumPy v1.16, use a.item() instead e.append(np.asscalar(val)) {"realtime":1018.04,"usertime":1021.38,"systime":20.34,"memmax":118156,"memavg":0}