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Need Help with Some Error Messages

Open herter4171 opened this issue 2 years ago • 7 comments

We are trying to incorporate JENDL 5 into our collection of nuclear data libraries (NDLs). Basically, I was handed some tooling to wrap going from the library source files to a proper NDL using NJOY to evaluate at our temperatures, which I then overhauled to align with how we handle code. I worked around the NJOY parts, because I don't really know what they're doing and have never been a proper user of NJOY.

While we've used NJOY21 for other libraries with no fuss, our original problem had support guiding us to NJOY2016. Using the develop branch got rid of most of our original 171 errors due to a known bug fix, but 53 isotopes are still failing on us. I've been told they aren't mission critical, but we will rest easier and not have to explain as much if we can whittle this list down to single digits, ideally. I'm not sure if any platform details beyond us using Linux will help, but I'll be happy to provide further details as needed.

Summary of Error Messages

Since GitHub doesn't like tarballs, the inputs and outputs for these isotopes are available for download here, and the password is YRa4jXgMAKbx. Also, in my haste, I tarballed the current directory, so you will want to extract in an empty subdirectory. I wanted to have the cases be runnable, but the wrapper code didn't keep all of the tape files by default. If other files are needed to help diagnose, please let me know, and I'll do my best to furnish them.

Isotope Error Message
S-35  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Ne-21  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  2/  2
K-42  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  3/  2
Sc-44m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  0/  0
Ti-47  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  3/  2
K-39  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  2/  2
Ga-72  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ni-58  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  3/  1
Zn-67  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Zn-64  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Y-87m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Nb-95m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Rh-101m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Rh-102m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Cd-113m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Cd-115m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
In-114m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Sn-117m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Sn-125  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Te-119m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Te-123m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Te-125m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Xe-129m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Xe-131m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Xe-133m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ba-133m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ba-135m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ba-140  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ce-137m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Pr-141  error in rdunf2energy dependent data undefined
Eu-147  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Eu-150  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Gd-146  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Tb-152  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Tb-154  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ho-164  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ho-166  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ho-166m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Tm-171  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Yb-175  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Lu-177m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ta-177  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
W-178  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
W-188  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Re-184  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Os-182  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Ir-189  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Ir-190  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Ir-196m1  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Au-198  error in endf illegal TAB1, nbt(nr)/=np for mf/mt =  1/  1
Pb-205  error in acelf6only lang=1,2,11-13 allowed for endf-6 file 6 neutrons
Bi-210m1  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0
Ra-228  error in endf illegal TAB1, nr<=0 for mf/mt =  6/  0

herter4171 avatar May 27 '22 20:05 herter4171

Most of these appear to be ENDF formatting issues. I'll parse the file in ENDFtk, our new ENDF reader to see if this reader picks up the same issues.

The Pb205 and Pr141 might indicate other issues that I'll have to look into more.

I'll try to get back to you on this somewhere next week.

whaeck avatar May 27 '22 22:05 whaeck

Thanks for taking a look. I don't have a trained eye for this sort of thing, but I'm not surprised. Everyone loves to say they use ENDF format, but devils and details.

herter4171 avatar May 27 '22 23:05 herter4171

@herter4171 exactly and well phrased, NJOY has broad shoulders but most of the above are in fact ENDF form/format and interpretation issues, some already (Pr141) acted upon by the JENDL-5 team [ (https://wwwndc.jaea.go.jp/jendl/j5/JENDL-5_Errata.html)]

@whaeck the above error text do not always correspond to the one I had, but the target list seems to do !!

Au198: error in endf illegal TAB1, nbt(nr)/=np for mf/mt = 6/ 5

Removing the implicit (above 20 MeV) mt=5 mf3&mf6 on those targets save the day for reactor applications

@whaeck the error in endf illegal TAB1, nbt(nr)/=np for mf/mt = 6/ 5 or 6/ 0 is weird on the above cases, nr max is 20 and np the number of points !! could it means memory overlap, as the endf file has already been read to create the pendf

Also what about the fact that on say JENDL-5 U235, PREPRO-2021 warn me to linearise the multiplicity in mf6/mt5 that must be INT = 2, NJOY does not

jchsublet avatar May 30 '22 08:05 jchsublet

Any movement on this? I'll see where I get with downloading newer JENDL, but I'm pretty sure most of the errors will remain.

herter4171 avatar Jun 09 '22 21:06 herter4171

@herter4171 for you the solution is to remove, prior to processing, the mt=5 mf3&mf6 blocks (I did it, you need help to do it?), then the Acer errors vanish. Those sections of the files are not relevant for your applications, as they relate and only partially to partial channels occurring above 20 MeV neutron incident energy.

ENDF-6 format manual: mt=5 (z,anything) Sum of all reactions not given explicitly in another MT number. This is a partial reaction to be added to obtain MT=1. Each particle can be identified and its multiplicity given in File 6.

jchsublet avatar Jun 10 '22 13:06 jchsublet

I haven't had time to look into this in detail. I'll try to take some time today.

whaeck avatar Jun 14 '22 15:06 whaeck

I started looking at the Pr-141 error which is related to the unresolved resonance treatment in UNRESR.

These are my findings for this evaluation:

  • MF2 MT151 states that the unresolved resonance range goes from 1322.6 eV to 160 keV
  • MF2 MT151 only gives unresolved resonance parameters up to 100 keV
  • MF3 data uses 100 keV as an energy grid point in the reactions with unresolved resonance data but 160 keV is never present.

I believe that the upper limit of the unresolved resonance region has been erroneously set to 160 keV instead of 100 keV. This is something we have seen in the past (it is a rare thing though). Setting the upper limit of the unresolved energy region to 100 keV in the evaluation fixes the issue.

The JENDL5 library provides an errata page where a corrected evaluation is available: https://wwwndc.jaea.go.jp/jendl/j5/JENDL-5_Errata.html

whaeck avatar Jun 14 '22 17:06 whaeck