/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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-76ef9fb1-38c5-48dd-87df-442c7df3e885-007-159c7cb3-ff6f-4b17-9b3b-b97ec406f1f1/VC_303890932454_004-and-MO_545073984441_001-1653195638/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":543.11,"usertime":544.72,"systime":21.00,"memmax":122944,"memavg":0}