NJOY error when trying to make_ace() for 6-C-13g.jeff33 and 8-O-17g.jeff33

User Support
1

Dear OpenMCers,

I use the code to generate ACE files from JEFF3.3.
There is no issue, everything is smooth except for 2 radionuclides 6-C-13g.jeff33 and 8-O-17g.jeff33
Unfortunately, njoy does not provide anything more than “Command ‘/usr/local/NJOY2016/install/bin/njoy’ returned non-zero exit status 77.”

I have been digging a bit and extracted the input used for those two radionuclides, below:

For 6-C13

reconr / %%%%%%%%%%%%%%%%%%% Reconstruct XS for neutrons %%%%%%%%%%%%%%%%%%%%%%%
20 21
'JEFF-3.3 PENDF for   6-C - 13 '/
628 2/
0.001/ err
'JEFF-3.3:   6-C - 13 '/
'Processed by NJOY'/
0/

broadr / %%%%%%%%%%%%%%%%%%%%%%% Doppler broaden XS %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 21 22
628 1 0 0 0. /
0.001/ errthn
293
0/

heatr / %%%%%%%%%%%%%%%%% Add heating kerma (local photons) %%%%%%%%%%%%%%%%%%%%
20 22 23 /
628 4 0 0 1 /
302 318 402 444 /

heatr / %%%%%%%%%%%%%%%%%%%%%%%%% Add heating kerma %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 22 24 /
628 4 0 0 0 /
302 318 402 444 /

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

purr / %%%%%%%%%%%%%%%%%%%%%%%% Add probability tables %%%%%%%%%%%%%%%%%%%%%%%%%
20 25 26 /
628 1 1 20 64 /
293
1.e10
0/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 27 28
1 0 1 .01 /
'JEFF-3.3:   6-C - 13  at 293'/
628 293
1 1 1/
/
stop

For 8-O-17

reconr / %%%%%%%%%%%%%%%%%%% Reconstruct XS for neutrons %%%%%%%%%%%%%%%%%%%%%%%
20 21
'JEFF-3.3 PENDF for   8-O - 17 '/
828 2/
0.001/ err
'JEFF-3.3:   8-O - 17 '/
'Processed by NJOY'/
0/


broadr / %%%%%%%%%%%%%%%%%%%%%%% Doppler broaden XS %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 21 22
828 1 0 0 0. /
0.001/ errthn
293
0/

heatr / %%%%%%%%%%%%%%%%% Add heating kerma (local photons) %%%%%%%%%%%%%%%%%%%%
20 22 23 /
828 4 0 0 1 /
302 318 402 444 /

heatr / %%%%%%%%%%%%%%%%%%%%%%%%% Add heating kerma %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 22 24 /
828 4 0 0 0 /
302 318 402 444 /

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

purr / %%%%%%%%%%%%%%%%%%%%%%%% Add probability tables %%%%%%%%%%%%%%%%%%%%%%%%%
20 25 26 /
828 1 1 20 64 /
293
1.e10
0/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 27 28
1 0 1 .01 /
'JEFF-3.3:   8-O - 17  at 293'/
828 293
1 1 1/
/
stop

Anyway I do not know how to use those inputs with NJOY outside of openmc maybe someone could give some hints so that I can test and see if there is more details about the error or maybe someone knows how to solve the C13 and O17 issues?

By the way, with STDOUT=True, here is what the process displays:


 njoy 2016.69  07Feb22                                       07/11/24 13:33:37
 *****************************************************************************

 reconr...                                                                0.0s

 ---message from rdf2bw---calculation of angular distribution not installed.

 broadr...                                                                0.0s

 heatr...                                                                 0.1s

 ---message from hinit---mf6, mt102 does not give recoil za=  6014
                          photon momentum recoil used.

 ***error in sixbar***awp is zero for for mt 29 particle  2005

STOP 77
ERROR: Command '/usr/local/NJOY2016/install/bin/njoy' returned non-zero exit status 77.

 njoy 2016.69  07Feb22                                       07/11/24 13:33:38
 *****************************************************************************

 reconr...                                                                0.0s

 ---message from rdf2bw---calculation of angular distribution not installed.

 broadr...                                                                0.1s

 heatr...                                                                 0.1s

 ---message from hinit---mf6, mt102 does not give recoil za=  8018
                          photon momentum recoil used.

 ***error in sixbar***awp is zero for for mt109 particle  2006

STOP 77
ERROR: Command '/usr/local/NJOY2016/install/bin/njoy' returned non-zero exit status 77.
2

From NJOY2016 forum, I was told that is because it is missing the AWP for He-5 and He-6 in the nuclear evaluation. I corrected it in the endf file and it solved the problem. I find this strange because I downloaded the evaluation from https://www.oecd-nea.org/dbdata/JEFF33/ and I am certainly not the first one to process it hence, to find this issue.

Related to this, are the parameters used by make_ace() function to produce ace files similar to those used to produce MCNP files ?

3

@Frozaccio I ran into the same thing when processing JEFF 3.3 and also concluded it was an error in the evaluation itself. The processed JEFF 3.3 library for OpenMC that I generated is available at Official Data Libraries | OpenMC. My approach for these two nuclides was to replace them with newer evaluations from TENDL-2019 (the original ones in JEFF 3.3 actually were borrowed from TENDL-2015).

4

Hi Paul,

there can be quite a bit of difference between TENDL-year evaluations.
Indeed I just looked at O-17 mt=1 and mt=2, for TENDL-2015 and TENDL-2019, they are quite different (factor 2x difference).

If trying to reproduce JEFF 3.3 as closely as possible, it would make more sense to draw on TENDL-2015, no? (unless if there is some other processing error occurring there)
This would be particularly important for benchmarking, ICSBEP, etc.

Otherwise, yeah these are minor importance nuclides.

5

@yrrepy Yes, it would probably make more sense to draw on JEFF 3.3. In a perfect world, the evaluators would have published an errata for those nuclides so that users have something “official” to use rather than make their own modifications to the files just to get them processed correctly.