search

njoy / NJOY21

NJOY for the 21st Century
https://www.njoy21.io/NJOY21
Other
71 stars 38 forks source link

Error when running ACER with 'suff' equal to '.07' #182

Closed MatteoF29 closed 7 months ago

MatteoF29 commented 10 months ago

Dear all,

I'm currently preparing cross sections for a large number of temperature values. The following input file has been generated using the NJOY interface of the OpenMC code.

reconr / %%%%%%%%%%%%%%%%%%% Reconstruct XS for neutrons %%%%%%%%%%%%%%%%%%%%%%%
20 21
'ENDF/B-8.0 PENDF for   8-O - 16 '/
825 2/
0.001/ err
'ENDF/B-8.0:   8-O - 16 '/
'Processed by NJOY'/
0/

broadr / %%%%%%%%%%%%%%%%%%%%%%% Doppler broaden XS %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 21 22
825 10 0 0 0. /
0.001/ errthn
673.15 723.15 748.15 773.15 823.15 873.15 1073.15 1138.15 1273.15 1473.15
0/

heatr / %%%%%%%%%%%%%%%%% Add heating kerma (local photons) %%%%%%%%%%%%%%%%%%%%
20 22 23 /
825 4 0 0 1 /
302 318 402 444 /

heatr / %%%%%%%%%%%%%%%%%%%%%%%%% Add heating kerma %%%%%%%%%%%%%%%%%%%%%%%%%%%%
20 22 24 /
825 4 0 0 0 /
302 318 402 444 /

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

purr / %%%%%%%%%%%%%%%%%%%%%%%% Add probability tables %%%%%%%%%%%%%%%%%%%%%%%%%
20 25 26 /
825 10 1 20 64 /
673.15 723.15 748.15 773.15 823.15 873.15 1073.15 1138.15 1273.15 1473.15
1.e10
0/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 27 28
1 0 1 .01 /
'ENDF/B-8.0:   8-O - 16  at 673.15'/
825 673.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 29 30
1 0 1 .02 /
'ENDF/B-8.0:   8-O - 16  at 723.15'/
825 723.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 31 32
1 0 1 .03 /
'ENDF/B-8.0:   8-O - 16  at 748.15'/
825 748.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 33 34
1 0 1 .04 /
'ENDF/B-8.0:   8-O - 16  at 773.15'/
825 773.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 35 36
1 0 1 .05 /
'ENDF/B-8.0:   8-O - 16  at 823.15'/
825 823.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 37 38
1 0 1 .06 /
'ENDF/B-8.0:   8-O - 16  at 873.15'/
825 873.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 39 40
1 0 1 .07 /
'ENDF/B-8.0:   8-O - 16  at 1073.15'/
825 1073.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 41 42
1 0 1 .08 /
'ENDF/B-8.0:   8-O - 16  at 1138.15'/
825 1138.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 43 44
1 0 1 .09 /
'ENDF/B-8.0:   8-O - 16  at 1273.15'/
825 1273.15
1 1 1/
/

acer / %%%%%%%%%%%%%%%%%%%%%%%% Write out in ACE format %%%%%%%%%%%%%%%%%%%%%%%%
20 26 0 45 46
1 0 1 .10 /
'ENDF/B-8.0:   8-O - 16  at 1473.15'/
825 1473.15
1 1 1/
/
stop

By running this input deck the code, i.e. NJOY21 commit b5d0984b13a3112cc0d254f28f422b05e107c382 (tag: v1.2.71), provides the following error:

           ---cut---

[info] Mat Number: 825
[warning] Material specific default value not found in table
default value of 25 eV used.

[info] Mat Number: 825
[warning] Material specific default value not found in table
default value of 25 eV used.

[error] Encountered invalid value for suff
[info] Error while parsing line 88

1 0 1 .07 /
~~~~~~^

[info] 
The suff parameter specifies the suffix of the ZAID. It is appended 
to the ZA for the material. 

It is a two-digit float (e.g., .70, .71, .80). The 
default value is .00. 

Specifying a negative value when iopt=7--9 leaves the old 
ZAID unchanged (from previous ACER run).

[info] Trouble validating Card2
[info] Trouble validating ACER input.
[info] Error while running NJOY21

NJOY21 does not accept a "suff" value equal to ".07" in cart 2 of the ACER module. I encountered this problem only for the specific value ".07". The error does not occur while using NJOY16, rather the NJOY21.

Is this a feature or a bug? Thanks in advance,

Cheers, Matteo

whaeck commented 10 months ago

This is a know issue in our input checker. The issue was reported quite some time ago, see https://github.com/njoy/lipservice/issues/31, but it was never fixed in the end. I just ripped out the test that caused the issue since NJOY2016 will still verify it as well so even if the input checker lets something pass that it shouldn't, NJOY2016 will still find it. We also released a new version of NJOY21, updated to NJOY2016.72 so you can try again with that version. This issue should no longer be there.

That being said, while we do maintain NJOY21 we will not be adding any modern feature to it. As a result, it will remain an NJOY2016 wrapper. To make your life easier, it might actually be better to move to NJOY2016 instead.