openmc-data-storage / openmc_data

Python package for processing nuclear data distribution in ACE and ENDF format into HDF5 format for use in OpenMC. Adapted from the openmc data repo.
MIT License
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Fail to generate JENDL-5.0 xs for N14 N15 F19 Al27 #2

Closed nplinden closed 8 months ago

nplinden commented 8 months ago

The generate_jendl -r 5.0 script fails to generate XS files for N14, N15, F19, and Al27 with message:

/home/nlinden/workspace/NuclearData/JENDL-5/jendl-5.0-endf/jendl5-n/n_007-N-014.dat Command 'njoy' returned non-zero exit status 2.

The openmc-generated NJOY input deck for N14 looks like this:

reconr / %%%%%%%%%%%%%%%%%%% Reconstruct XS for neutrons %%%%%%%%%%%%%%%%%%%%%%%
20 21
'JENDL-5.0 PENDF for   7-N - 14 '/
725 2/
0.001/ err
'JENDL-5.0:   7-N - 14 '/
'Processed by NJOY'/
0/

broadr / %%%%%%%%%%%%%%%%%%%%%%% Doppler broaden XS %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 21 22
725 1 0 0 0. /
0.001/ errthn
700
0/

heatr / %%%%%%%%%%%%%%%%% Add heating kerma (local photons) %%%%%%%%%%%%%%%%%%%%
20 22 23 /
725 4 0 0 1 /
302 318 402 444 /

heatr / %%%%%%%%%%%%%%%%%%%%%%%%% Add heating kerma %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 22 24 /
725 4 0 0 0 /
302 318 402 444 /

gaspr / %%%%%%%%%%%%%%%%%%%%%%%%% Add gas production %%%%%%%%%%%%%%%%%%%%%%%%%%%
20 24 25 /

purr / %%%%%%%%%%%%%%%%%%%%%%%% Add probability tables %%%%%%%%%%%%%%%%%%%%%%%%%
20 25 26 /
725 1 1 20 64 /
700
1.e10
0/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 27 28
1 0 1 .01 /
'JENDL-5.0:   7-N - 14  at 700'/
725 700
1 1 1/
/
stop

Running it manually yields:

 njoy 2016.73  03Nov23                                       02/27/24 13:48:06
 *****************************************************************************

 reconr...                                                                0.0s

 broadr...                                                                0.2s

 heatr...                                                                 0.3s

 ---message from hinit---mf4 and 6 missing, isotropy assumed for mt 800

 ---message from hinit---mf4 and 6 missing, isotropy assumed for mt 801

 ---message from hinit---mf4 and 6 missing, isotropy assumed for mt 849

 ---message from sixbar---no distribution for mt  5 particle     0
At line 1002 of file /home/nlinden/workspace/NJOY2016/src/endf.f90 (unit = 14, file = '/tmp/gfortrantmpgayMHo')
Fortran runtime error: Bad value during integer read

Error termination. Backtrace:
#0  0x68d8fa
#1  0x68db69
#2  0x68e5ff
#3  0x6aeeb0
#4  0x6958cc
#5  0x696bab
#6  0x693135
#7  0x44b5c6
#8  0x4556c0
#9  0x4edf1e
#10  0x4f065e
#11  0x402434
#12  0x40199e
#13  0x6fba3f
#14  0x401fad

Seems like the second HEATR run fails for some reason, unfortunately it's a bit beyond my basic understanding of NJOY.

shimwell commented 8 months ago

I guess this could be an error with the distribution. I'm not sure what to do in this case. Ideally the distribution would just work with NJOY but it appears that they are not tested in this way before release. Is it something to report back to NJOY or JENDL and hope the next release works?

shimwell commented 8 months ago

solved by #3