5.3.3.1. SCALE/ORIGEN Library Generator (SLIG)
B. R. Betzler
This Python script (slig.py) semi-automates the process of generating
sets of cross-section libraries for ORIGEN calculations for spent fuel
depletion, decay, and source term analysis. SLIG performs several tasks:
reads standard-format template files, obtaining information (e.g, enrichments, burnups, moderator densities, etc.) from the file header
generates a set of input files according to this header information;
builds a directory tree to house these input files;
writes the addition to the
arpdata.txtfile;moves the final libraries to a new directory; and
reads the burnup list for each set of libraries and writes them in the addition to the
arpdata.txtfile.
This manual is divided into five main sections based on the desired application:
Quick Start Directions for running SCALE on a local machine or a computing cluster without a queue system;
Advanced Options for running SCALE on a cluster with a queue system;
Template File Rules and Examples for editing and writing template files;
Troubleshooting for issues running SLIG; and
Code Information for making changes to the code.
5.3.3.1.1. Quick Start Directions
The SLIG package is located in the SCALE source directory in
./packages/etc/slig/. Because it is necessary to run SCALE to generate
the appropriate cross-section libraries, SLIG runs in a disjointed,
three-step process:
Copy the contents of the
./slig/src/directory into./slig/testing/. Move to the./slig/testing/directory and use ./slig.py -g to perform tasks 1) through 4). If SLIG returns an error, follow the directions in the error message (see Sect. 5.3.3.1.4). After a successful run, three new items will appear in the current directory:
runSpace/the directory tree containing the input files,
arpLibList.txta list of the locations of the libraries in the directory tree, and
addToArpData.txtadditional lines for the arpdata.txt file.
Run SCALE with each input within the directory tree (
runSpace/). Each input is located within the directory tree in the location./runSpace/templateName/inputID/, where templateName is the prefix of the template file (i.e.,templateName_template.inp) and inputID is a string identifying the enrichment (eNN), moderator density (wMM, if applicable), and plutonium vector (vPP, if applicable) for the input.After all SCALE calculations are complete, use ./slig.py -f to perform task 5) and 6). SLIG will identify any missing libraries. After a successful run, two changes will be made in the current directory:
newLibraries/this directory containing the new libraries will appear, and
addToArpData.txtthe burnup lists will be written on the this file.
The final result is an addition to the arpdata.txt file
(addToArpData.txt) and a directory containing all generated libraries
(newLibraries/). Do not delete any files associated with slig.py unless
it directs you to do so. The following options are available to the user
(see Sect. 5.3.3.1.1 for more options):
- -p <PATH>, -path=<PATH>
This specifies the location of the template files. SLIG will search PATH and all its subdirectories for template files. The default path is the current directory.
- -x <XSLIB>, -xsections=<XSLIB>
This specifies the cross section library used in all calculations. The default is
v7-252.
5.3.3.1.2. Advanced Options
The following are more advanced options available to the user:
- -e <EXT>, -extension=<EXT>
This specifies the file extension that identifies a template file. By default, SLIG searches for files ending in
_template.inp).
- -a, -add
This flag is used with the
-goption (./slig.py -ga) to add input files to the current directory tree (runSpace/). It also adds library information to addToArpData.txt and adds the location of the libraries in the directory tree to file:arpLibList.txt.This flag is used with the
-foption (./slig.py -fa) to add newly generated libraries to the current library directory (newLibraries/).
- -d, -document
This flag turns on documentation routines that automatically generate a LaTeX file (libraryInformation.tex) with data about each template file using information on the file header. This also generates a .pdf file (libraryInformation.pdf) using pdflatex (required for this to function properly). Additionally, any figures referenced within the templates must be located within the current directory or any of its subdirectories.
- -s, -submit
This flag turns on routines that generate a PBS submit script for each input file for running on clusters with a queue system. It also generates a shell script to submit these jobs (with qsub). The PBS submit script template (
run1proc.pbs) must be placed in the current directory.
The first two steps of the three-step process for running SLIG (see Sect. 5.3.3.1.1) change:
Use ./slig.py -gs to perform tasks 1) through 4). After a successful run, four new items will appear in the current directory:
runSpace/the directory tree containing the input files,
arpLibList.txta list of the locations of the libraries in the directory tree,
addToArpData.txtadditional lines for the arpdata.txt file, and
submitSLIGjobsa shell script for submitting jobs to the queue.
Run the shell script (
./submitSLIGjobs) to submit jobs to the queue. Note that this may submit a very large number of jobs to the queue.
When using ./slig.py -ga, SLIG will check for documentation and submit
scripts and will proceed with the same settings that were used for the
initial run of SLIG. For example, if the user initially runs
./slig.py -gds to generate documentation and submit scripts then later uses
./slig.py -ga, SLIG will proceed with adding documentation for the
additional templates and generating submit scripts. When SLIG generates
additional submit scripts, a separate numbered file is generated for
each new template (e.g., submitSLIGjobs1).
5.3.3.1.3. Template File Rules and Examples
Example templates are provided with the SCALE distribution. For creating new templates, it is best to use these templates as starter files and make incremental changes as necessary for the new application. The header at the top of each template file contains the information that will be used to generate input files and documentation. Each line of this header must start with an apostrophe; each line is a comment line according to the SCALE standard input. There are two main sections in this header:
The template header (see Example 5.3.1 and Example 5.3.2). This header has a parameter list and an option list:
The parameter list identifies the strings within the template file that SLIG will replace as it generates input files. These parameters are found throughout the template file; SLIG will replace these with values as it generates each input files. SLIG identifies the parameter list starting from the first line containing the ‘parameter’ string and each line thereafter that is indented more than five blank spaces (not including the apostrophe). The following is a list of rules for entering parameters:
Each parameter is entered on a separate line in the form “parameter-description”.
Each parameter must be a unique string of characters.
Each parameter is a single string without spaces.
SLIG uses the “description” to characterize the parameter. If these descriptions are changed, SLIG may not be able to properly characterize each parameter. Thus, it is suggested that the descriptions in the following list are not changed.
There is some flexibility in changing the parameter strings.
The option list identifies the quantities or values that SLIG uses to determine the values that will replace the parameters in each input file. SLIG identifies the option list starting from the first line containing the ‘option’ string and each line thereafter that is indented more than five blank spaces (not including the apostrophe).
The following is a list of rules for entering options:
Each option is entered on a separate line in the form
option - values.SLIG uses the “option” to recognize what to do with the values. If this is changed, SLIG may not be able to properly characterize each option. Thus, it is suggested that the options (to the left of the dash) in the following list are not changed.
For options with multiple values, each value must be separated with a comma.
For values to continue onto the next line, the last value in a line must end with a comma and the next line must be indented and must begin with the next value.
The values may be changed.
The documentation header (see Example 5.3.3). The documentation header has two purposes. First, it is used to track information about the template (e.g., author, date created, and methodology) and the source documents that contributed to the template’s creation. This simplifies updating input files for new versions of SCALE. Second, SLIG uses this header information to generate documentation files. SLIG identifies the documentation header starting from the first line containing ‘Documentation’ to the line starting with an apostrophe followed by a space and five dashes (
' -----).
' ----------------------------------------------------------------
' template to generate libraries for ORIGEN-S
' parameters are: u235wt% - wt% U235
' u234wt% - wt% U234
' u236wt% - wt% U236
' u238wt% - wt% U238
' ddd - coolant density (g/cc)
' dancoff1 - dancoff factor 1
' dancoff2 - dancoff factor 2
' namelibrary - name of generated ORIGEN library
' specpow - average specific power
' daystoburn - depletion interval in days
' options are: name - g10_
' enrichment - 0.5, 1.5, 2.0, 3.0, 4.0, 5.0, 6.0
' cool. density - 0.1, 0.3, 0.5, 0.7, 0.9
' dancoff1 - 0.5041, 0.3937, 0.3182, 0.2631,
' 0.2211
' dancoff2 - 0.3229, 0.2541, 0.2069, 0.1722,
' 0.1455
' spec. power - 25.0
' ----------------------------------------------------------------
' ----------------------------------------------------------------
' template to generate libraries for ORIGEN-S
' parameters are: IcontentPu - wt% plutonium: inner
' IcontentU - wt% uranium: inner
' IEcontentPu - wt% plutonium: inside edge
' IEcontentU - wt% uranium: inside edge
' EcontentPu - wt% plutonium: edge
' EcontentU - wt% uranium: edge
' CcontentPu - wt% plutonium: corner
' CcontentU - wt% uranium: corner
' pu238wt% - wt% Pu238
' pu239wt% - wt% Pu239
' pu240wt% - wt% Pu240
' pu241wt% - wt% Pu241
' pu242wt% - wt% Pu242
' densityAm - americium density (g/cc)
' ddd - coolant density (g/cc)
' dancoff1 - dancoff factor 1
' dancoff2 - dancoff factor 2
' namelibrary - name of generated ORIGEN library
' specpow - average specific power
' daystoburn - depletion interval in days
' options are: name - mox_g10_
' pu content - 4.0, 7.0, 10.0
' pu vector - 50.0, 55.0, 60.0, 65.0, 70.0
' cool. density - 0.1, 0.3, 0.5, 0.7, 0.9
' dancoff1 - 0.5041, 0.3937, 0.3182, 0.2631,
' 0.2211
' dancoff2 - 0.3229, 0.2541, 0.2069, 0.1722,
' 0.1455
' spec. power - 25.0
' burnups - 0, 1, 2, 3, 4.5, 6, 7.5, 9,
' 10.5, 12, 13.5, 15, 16.5, 18,
' 19.5, 21, 24, 27, 30, 33, 36,
' 39, 42, 45, 48, 51, 54, 57, 60,
' 63, 66, 69, 72
' pin_zone - 26, 16, 24, 12
' pin_gad - 14
' avg_pin_dens. - 10.4
' ----------------------------------------------------------------
' ----------------------------------------------------------------
' Documentation and Notes (empty fields are auto-populated):
' [Change Log]
' Rev 0: Generated by J. Doe |
' Rev 1: Generated by B. R. Betzler, June 2014 |
' Rev 2: Generated by B. R. Betzler, September 2015
' [Author(s)] B. R. Betzler
' [SCALE Version] SCALE 6.2
' [Reactor Type] Mixed Oxide Boiling Water Reactor General Electric 10x10-8
' [Model Info] 2D t-depl full assembly model (see Figure \ref{fi:mox_ge10x10-8}), xsLib cross-section library
' [Sources]
' 1. B. J. Ade, ``Generation of Collapsed Cross Sections for Hatch 1 Cycles 1-3 and Generation of Generic BWR Reflector Cross Sections'', ORNL/LTR-2012/559, Oak Ridge National Laboratory, 2012. |
' 2. H. Smith, J. Peterson, and J. Hu, ``Fuel Assembly Modeling for the Modeling and Simulation Toolset'', ORNL/LTR-2012-555 Rev. 1, Oak Ridge National Laboratory, 2013. |
' 3. I. C. Gauld, ``MOX Cross-Section Libraries for ORIGEN-ARP'', ORNL/TM-2003/2, Oak Ridge National Laboratory, Oak Ridge, Tennessee, 2003. |
' 4. U. Mertyurek and I. C. Gauld, ``Development of ORIGEN Libraries for Mixed Oxide (MOX) Fuel Assembly Designs'', to be published, 2015.
' 5. H. Smith, J. Peterson, and J. Hu, ``Fuel Assembly Modeling for the Modeling and Simulation Toolset'', ORNL/LTR-2012-555 Rev. 1, Oak Ridge National Laboratory, 2013.
' [Data Range]
' [Libraries]
' [Power]
' [Other Info]
' Channel box data, fuel/gap/channel moderator densities, and temperatures from Reference 1.
' All other dimensions, materials, etc. from Reference 2.
' Gad layout altered according to best engineering judgement.
' MOX isotopic vector information from Reference 3.
' MOX zoning pattern from section 4.1 of Reference 4 (see Table 2, Eq.~3, and Eq.~4).
' Specific power from Reference 5.
' figure{mox_ge10x10-8.pdf: MOX BWR GE 10x10-8.}
' ----------------------------------------------------------------
5.3.3.1.3.1. UOX fuel parameters
The following (Example 5.3.4) is a list of some of the parameters available to the user for working with most PWR and BWR lattices:
u235wt% - wt% U235
u234wt% - wt% U234
u236wt% - wt% U236
u238wt% - wt% U238
ddd - coolant density (g/cc)
dancoff1 - dancoff factor 1
dancoff2 - dancoff factor 2
namelibrary - name of generated ORIGEN library
specpow - average specific power
daystoburn - depletion interval in days
name - abb_
enrichment - 0.5, 1.5, 2.0, 3.0, 4.0, 5.0, 6.0
cool. density - 0.1, 0.3, 0.5, 0.7, 0.9 (or mod. density - 1.65)
dancoff1 - 0.4686, 0.3429, 0.2651, 0.2122, 0.1742
dancoff2 - 0.3103, 0.2316, 0.1823, 0.1484, 0.1237
spec. power - 25.0
burnups - 0, 1, 2, 3, 4.5, 6, 7.5, 9,
10.5, 12, 13.5, 15, 16.5, 18,
19.5, 21, 24, 27, 30, 33, 36,
39, 42, 45, 48, 51, 54, 57, 60,
63, 66, 69, 72
5.3.3.1.3.2. MOX fuel parameters
For mixed oxide (MOX) PWR and BWR assemblies, there is a different
set of parameters available to the user. SLIG will recognize a file
as a MOX template by searching for the Pu-239 parameter. SLIG
automatically generates a MOX zoning pattern (see Fig. 5.3.1) for
BWR and PWR lattices according to the values of pin_zone, pin_gad, and
avg_pin_dens..
IcontentPu - wt% plutonium: inner
IcontentU - wt% uranium: inner
IEcontentPu - wt% plutonium: inside edge
IEcontentU - wt% uranium: inside edge
EcontentPu - wt% plutonium: edge
EcontentU - wt% uranium: edge
CcontentPu - wt% plutonium: corner
CcontentU - wt% uranium: corner
pu238wt% - wt% Pu238
pu239wt% - wt% Pu239
pu240wt% - wt% Pu240
pu241wt% - wt% Pu241
pu242wt% - wt% Pu242
densityAm - americium density (g/cc)
ddd - coolant density (g/cc)
dancoff1 - dancoff factor 1
dancoff2 - dancoff factor 2
namelibrary - name of generated ORIGEN library
specpow - average specific power
daystoburn - depletion interval in days
Fig. 5.3.1 MOX zoning layout for a Westinghouse 14 \(\times\) 14 PWR assembly showing the corner (green), edge (salmon), inside edge (magenta), and inner (red) pin zones.
name - mox_abb_
pu content - 4.0, 7.0, 10.0
pu vector - 50.0, 55.0, 60.0, 65.0, 70.0
cool. density - 0.1, 0.3, 0.5, 0.7, 0.9
dancoff1 - 0.4686, 0.3429, 0.2651, 0.2122, 0.1742
dancoff2 - 0.3103, 0.2316, 0.1823, 0.1484, 0.1237
spec. power - 25.0
burnups - 0, 1, 2, 3, 4.5, 6, 7.5, 9,
10.5, 12, 13.5, 15, 16.5, 18,
19.5, 21, 24, 27, 30, 33, 36,
39, 42, 45, 48, 51, 54, 57, 60,
63, 66, 69, 72
pin_zone - 11, 20, 16, 12
pin_gad - 4
avg_pin_dens. - 10.4
The following is an explanation of each option:
- name
This is the prefix for the name of the final generated libraries. It should be unique to the template (i.e., other templates should have a different name).
- enrichment
This is a list of the 235U enrichments [%] for which SLIG will create separate inputs.
- cool.density, mod.density
This is a list of the coolant or moderator densities [g/cm3] for which SLIG will create separate inputs.
- dancoffN
This is a list of dancoff factors that correspond to pin N. The length of this list must match the length of the coolant/moderator density list (the dancoff factor varies significantly with this density).
- spec.power
This is the specific power [MW/MTU] of the assembly.
- burnups
This is a list of cumulative burnup steps [GWd/MTU] that will be used to create the depletion steps. If a small step is not included, SLIG will print a warning and automatically insert one at the beginning of the calculation (for Xe equilibrium).
- pu content
This is a MOX-specific parameter that is a list of the average content of plutonium [%] in the assembly for which SLIG will create separate inputs. These quantities are calculated as a percentage of the total heavy metal loading in the assembly.
- pu vector
This is a MOX-specific parameter that is a list of the enrichments of 239Pu [%] for which SLIG will create separate inputs. These quantities are calculated as a percentage of the total plutonium in the assembly and are used to calculate the entire plutonium vector [ORIGEN-Gau03].
- pin_zone
This is a MOX-specific parameter that lists of the number of pins in the inner, inside edge, edge, and corner zones (see Figure 5.A.3). This varies for each assembly.
- pin_gad
This is a MOX-specific parameter that specifies the number of Gd-bearing pins in the assembly. SLIG uses this quantity to calculate ensure that the specified Pu content of the assembly is correctly represented [ORIGEN-Gau03].
- avg_pin_dens.
This is a MOX-specific parameter that specifies the average density [g/cm3] of the pins in the assembly. SLIG uses this quantity to calculate ensure that the specified Pu content of the assembly is correctly represented.
5.3.3.1.3.3. Documentation header
The documentation header has a free form-style entry, where sections
are specified by [Section Name] and the text for each section
follows afterward. Figures are referenced as figure{figureName.pdf:
Figure caption.}. Any reference to the figure within the header must
be in LaTeX-like form; for this, the figure is labeled as
fi:figureName. The section name keywords [Data Range],
[Libraries], and [Power] are reserved to be auto-populated by
SLIG according to information provided within the vars list. All
information within this header is transferred to the documentation
file.
The parameters in the file headers are located within the template file in the appropriate locations. See the example templates for the proper usage. The burndata card in the input file should only be three lines:
read burndata
power=specpow burn=daystoburn down=0 end
end burndata
because it will be populated by the burnup points listed in the file header. There should also be a shell command at the end of the input file to save the cross-section library:
=shell
cp ft33f001.cmbined $RTNDIR/namelibrary
end
5.3.3.1.4. Troubleshooting
If at any time an error occurs, SLIG will exit after printing the reason for the error and offer a possible solution. Following these instructions should resolve most issues with SLIG. The following is a list of factors to consider when having trouble running SLIG.
SLIG uses the module argparse.py (see https://docs.python.org/3/library/argparse.html) to handle command line arguments; SLIG will crash if it does not have access to it. For versions of Python that do not inherently support this module, download the
argparse.pyfile and include it in the directory withslig.py.If SLIG is crashing, there may be an issue with the version of Python. SLIG was developed to be functional with Python 2.7.6.
After running ./slig.py -g, the
addToArpData.txtfile will have dummy placeholders instead of the burnup lists. These placeholders are replaced with the burnup lists that are read off of the SCALE output files. The burnup lists in the documentation file are the burnup lists specified in the template files.
5.3.3.1.5. Code Information
SLIG consists of a main, one SCALE-specific class (manageTemplate), and
three generic classes (messenger, manageDirectory, and
manageFile):
mainreads and validates arguments, and contains a loop to make inputs and collect libraries
manageTemplatemanages templates (reads/sorts options, calculates concentrations)
messengermanages all prints to the screen
manageDirectorymanages external directories (searching, making, etc.)
manageFilemanages external files (reading, writing, searching, copying, etc.)
SLIG calls a separate Python script (collectinfov04.py) to perform
documentation functions. This script uses a template (basedoc.v04.tex)
to generate the documentation file.