Problem when using the Example Jupyter Notebooks for my own OpenMC

Hi all,

I am new to OpenMC and started by using the example in Jupyter Notebooks, MGXS Part I: Introduction (I basically copy-pasted the Python commands and added cross section path for NNC).

There are two problems:

First, the 2-groups cross section mean and standard deviation are obviously wrong :

Total cross section

Cell | Group In | Nuclide | Mean | Std. Dev. |

  • | - | - | - | - |
    1 | 1 | total | 0 | 0 |
    1 | 2 | total | 1.9599963723 | 0 |

Absorption cross section

Cell | Group In | Nuclide | Mean | Std. Dev. |

  • | - | - | - | - |
    1 | 1 | total | 1.79769313486232E+308 | 0 |
    1 | 2 | total | 0.0113877115 | 0 |

Secondly, and this is probably directly connected to the first problem, I have got warning from Python for the file tallies.py:

/home/julien/openmc/openmc/tallies.py:359: RuntimeWarning: invalid value encountered in sqrt
self.mean[nonzero]**2)/(n - 1))
/home/julien/openmc/openmc/tallies.py:1529: RuntimeWarning: invalid value encountered in true_divide
self_rel_err = data[‘self’][‘std. dev.’] / data[‘self’][‘mean’]
/home/julien/openmc/openmc/tallies.py:1530: RuntimeWarning: invalid value encountered in true_divide
other_rel_err = data[‘other’][‘std. dev.’] / data[‘other’][‘mean’]
/home/julien/openmc/openmc/tallies.py:1531: RuntimeWarning: invalid value encountered in true_divide
new_tally._mean = data[‘self’][‘mean’] / data[‘other’][‘mean’]
/home/julien/openmc/openmc/tallies.py:1108: RuntimeWarning: invalid value encountered in true_divide
data = self.std_dev[indices] / self.mean[indices]

For the very first warning (tallies.py line 359) I checked a little and it looks like there is a problem with sum_sq in the calculation of the standard deviation. If I check the value of the mean (self.mean) it is 37.18195109. The square of the mean is then 1382.49748701. However, the mean of the square (self.sum_sq[nonzero]/n) is 26.76525086. Obviously, the resulting difference in the root square is negative hence the warning and the NaN value that triggers the other warning.

If I understand correctly, it looks like sum_sq is a value directly extracted by tallies.py from the HDF5 statepoint file. Could it be that tallies.py misread something here?

Your help would be very welcome.
Let me know if you guys need more information from my OpenMC or my results.

Thanks a lot.

Julien

Just a hunch – what version of h5py do you have installed?

Paul,

The version of h5py I have is 2.6.0-1.

Thanks.

h5py version 2.6.0 has a known bug which affects compound datatypes and unfortunately bites us. It has been fixed, but there has been no new release yet so the best advice I can offer is to downgrade your h5py to 2.5.

Best,
Paul

Paul,

I just installed h5py 2.5 and I now obtain results very close to the Jupyter Notebooks Example. Looks like it is working.

Thanks a lot for your help.

Julien