/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) /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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) /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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) /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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) /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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) /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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) /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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] /work2/08773/bwaters/stampede2/bwaters/job-7c1cb15c-2fa2-444e-b8f5-aade5a09f582-007-3c378592-0b50-4951-9e7f-ed9033d6f443/VC_303890932454_004-and-MO_105008013807_000-1659735340/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":82.77,"usertime":79.27,"systime":16.33,"memmax":70724,"memavg":0}