/scratch.global/bwaters/jobs/36622b27-6aa1-462d-9283-f32e23fd10b7-007/TE_915577249410_005-and-MO_961101070310_001-1751906309/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pb__TE_915577249410_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:181: FutureWarning: Please use atoms.calc = calc
  atoms.set_calculator(calc)
/scratch.global/bwaters/jobs/36622b27-6aa1-462d-9283-f32e23fd10b7-007/TE_915577249410_005-and-MO_961101070310_001-1751906309/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pb__TE_915577249410_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:334: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  for init_guess_c in np.arange(
/scratch.global/bwaters/jobs/36622b27-6aa1-462d-9283-f32e23fd10b7-007/TE_915577249410_005-and-MO_961101070310_001-1751906309/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pb__TE_915577249410_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:134: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  return math.sqrt(hrDist * hrDist + vDist * vDist)
/scratch.global/bwaters/jobs/36622b27-6aa1-462d-9283-f32e23fd10b7-007/TE_915577249410_005-and-MO_961101070310_001-1751906309/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pb__TE_915577249410_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:420: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  float(minLatticeConstants[1] / minLatticeConstants[0]),
/scratch.global/bwaters/jobs/36622b27-6aa1-462d-9283-f32e23fd10b7-007/TE_915577249410_005-and-MO_961101070310_001-1751906309/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pb__TE_915577249410_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:429: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  float(minLatticeConstants[0]),
/scratch.global/bwaters/jobs/36622b27-6aa1-462d-9283-f32e23fd10b7-007/TE_915577249410_005-and-MO_961101070310_001-1751906309/staged_job_files/repository/te/LatticeConstantHexagonalEnergy_hcp_Pb__TE_915577249410_005/../../td/LatticeConstantHexagonalEnergy__TD_942334626465_005/runner:430: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
  float(minLatticeConstants[1]),

{"realtime":11.80,"usertime":12.20,"systime":28.46,"memmax":118400,"memavg":0}