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International Atomic
Energy Agency Nuclear Data Services DOCUMENTATION SERIES=
OF
THE IAEA NUCLEAR DATA SECTION ____________________=
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IAEA-NDS-39
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; &n=
bsp; =
; Rev.
13,
PREPRO 2007
2007 ENDF/B Pre-processing Codes
(ENDF/B-VII Tested)
Owned, Maintained and Distributed
by
The Nuc= lear Data Section
Interna= tional Atomic Energy Agency
A-1400,=
Origina= lly Written
by
Dermott= E. Cullen
L-159
tele: 925-423-7359
e.mail: cullen1@llnl.gov
website: http://home.cast.net/~redcullen1
Abstract: The codes are named "the Pre-processing" co=
des,
because they are designed to pre-process ENDF formatted data, for later,
further processing for use in applications. This is a modular set of comput=
er
codes, each of which reads and writes evaluated nuclear data in the ENDF
format. Each code performs one or more independent operations on the data, =
as
described below. These codes are designed to be computer independent, and a=
re
presently operational on every type of computer from large mainframe comput=
er
to small personal computers, such as IBM-PC and Power MAC. The codes are available on CD-ROM or diskettes from=
the
IAEA Nuclear Data Section, free of charge upon request or can be downloaded
from http://www-nds.iaea.or=
g/ndspub/endf/prepro/
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Nuclear Data Section International Atomic Energy Agency A-1400 |
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Online: TELNET or FT=
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Note
The IAEA-NDS-reports= should not be considered as formal publications.&= nbsp; When a nuclear data library is sent out by the IAEA Nuclear Data Section, it will be accompanied by an IAEA-NDS-report which should give the data user all necessary documentation on contents, format and origin of the data library.
IAEA-NDS-reports are updated whenever there is additional information of relevance to the us= ers of the data library.
Neither the originator of the data libraries nor the IAEA assume any liability for their correctness or for any damages resulting from their use.
Citation guidelines
For citations care should be taken that credit is given to the author of the da= ta library and/or to the data center which issued the data library. The editor of the IAEA-NDS-report = is usually not the author of the data library.
This computer code package should=
be
cited as follows: D.E. Cullen, "PREPRO 2007: 2007 ENDF/B Pre-processing
Codes”, report IAEA-NDS-39, Rev=
. 13,
Nuclear Data Section Introduction
ENDF is t=
he
internationally agreed upon format for dissemination of evaluated nuclear d=
ata.
The ENDF/B data library has now been through seven (VII) versions; the late=
st
identified as ENDF/B-VII. Documentation for the current ENDF format and
convention is available in ENDF-102, from the
http://www= .nndc.bnl.gov/nndcscr/documents/endf/endf102/
or the Nuclear Data Section of the IAEA
h=
ttp://www-nds.iaea.org/ndspub/endf/prepro/DOCUMENT/DOCUMENT.HTM
The 2007 ENDF/B Pre-processing codes process nuclear= data formatted in any version of the ENDF formats; ENDF/B-I through ENDF/B-VII evaluations. These codes can be used on virtually any computer: everything = from large mainframe computers, to workstations, to IBM-PC (Windows or Linux) and Power MAC (OSX).
These cod=
es
are available free of charge on CD_ROM upon request from the Nuclear Data
Section (see addresses on cover page) or downloaded from the Nuclear Data
Section Web page
http://www-nds.iaea.or= g/ndspub/endf/prepro/
The prese=
nt
documentation (revision 13) completely
supersedes all previous documentation of earlier versions of the ENDF/B
Pre-processing data. It is strongly
recommended that you use ONLY the latest 2007 version of the PREPRO codes.<=
/b>
Failure to heed this warning can lead to completely erroneous results.
=
Conditions
for use of the codes
Any comme= nts on the use of the codes, including difficulties encountered or any suggesti= ons should be sent to the IAEA Nuclear Data Section. If any results obtained fr= om using these codes are used or referenced in a publication, a copy of the publication should be sent to the IAEA Nuclear Data Section.
Dedication
Regardless of who=
se
name appears on the cover of this report, most of the work involved in
maintaining, testing and distributing the previous and current versions of =
the
PREPRO codes, was done by Kevin McLaughlin, Nuclear Data Section, IAEA,
Ackn=
owledgement
I gratefully
acknowledge the contribution of Andrej Trkov in continuing to propose
interesting and useful extensions to these codes; keep those great ideas co=
ming
Andrej. I acknowledge the contribution of Ivan Sirakov in testing these cod=
es
and reporting all problems that he found; Ivan’s testing has greatly
improved the reliability of these codes. I also acknowledge Jennie
Manneschmidt, RSICC,
Table of Contents
History and Terminology
Features of 2007 Version
Running Time
All ENDF Formats and
Procedures
Consistent Handling of=
All
ENDF Formatted Data
Computer
MAC OSX Executables
Bigger, Faster, Improv=
ed
Accuracy
On-Line Reports
Execution Timing
Features of All Versions
Code Documentation
Data Documentation
Obtaining the Codes
Your Feedback is
IMPORTANT!!!
Implementing the Codes
What Computers do the =
codes
run on?
The Most Up-to-Date
Installation Instructions
Register as a User
Use of Codes
Read the Output Report=
s
Standard and Variable
Filenames
Brief Description
Detailed Description
Verifying Implementati=
on
Use of the Codes in
Combination
Details of Compiling and Loading Code=
s
Parts of the Codes
Compiling/Loading
Graphics Codes
Postscript Output File=
s
On Screen Graphics
Comments from Codes
ACTIVATE
CONVERT
COMPLOT
DICTIN
EVALPLOT
FIXUP
GROUPIE
LEGEND
LINEAR
MERGER
MIXER
RECENT
RELABEL
SIGMA1
SIXPAK
VIRGIN
History and Terminology
Originally the Evaluated Nuclear Data File (ENDF) was divided into two different formats: ENDF/A which was designe= d to contain partial evaluations that might later be incorporated into complete evaluations, and ENDF/B which was designed to contain complete evaluations = for use in applications. Originally these were physically two different formats= , but circa 1970 both adopted the same format. Here I distinguish between the for= mat, such as the current ENDF-6 format<= /b>, and the data in the format, such as the current ENDF/B-VII data.
I try to distingu= ish between the ENDF-6 format, and= the ENDF/B data that is coded int= o this format. The ENDF-6 format is n= ow used universally to store evaluated nuclear data: in the ENDF/B-VII library in the United States, in JEFF in Western Europe, in JENDL in Japan, in CENDL in China, i= n BROND in Russia, etc. Here I will= not be concerned with the differences between the contents of these data librar= ies. My only concern will be with the common ENDF-6 format, that all of these data libraries use. The PREPRO codes are desi= gned to process evaluated data in any version of the ENDF format. The ENDF format has now been through = six major versions, with the current format defined as ENDF-6.
Feat=
ures
of 2007 Version
Compared to earli= er versions of these codes the 2007 version has the following features,
Running Time
It wasn't too many years ago that in order to process major ENDF/B evaluations we needed super, million dollar computers, and even then it could take days to process a lar= ge evaluation, such as U-238.
Need I say it: th= ose days are gone forever. Today even small personal computers can be used to quickly process any ENDF evaluations. For example, on my IBM-PC, Pentium IV, 3.6 GHz computer [not a million dollar computer, a $ 1,000 computer (year 2007)], I can process U-238 in the time it takes me to go and get a cup of coffee - a= nd with the next generation, it will require even= less time.
So I am not going= to list typical running times for the codes, for two reasons: 1) the running t= imes have now become trivial, and 2) by the time you get a copy of this report a= ny times I quote here will be outdated by the availability of newer, faster, a= nd cheaper computers.
Bottom line: runn= ing time is no longer a major concern in processing ENDF data, and even small personal computers are now powerful enough to be used to process all ENDF evaluations.
All ENDF Formats and Procedures
These codes can automatically determine the ENDF format version that each evaluat= ion is coded in and use the appropriate procedures. It should be particularly noted, that these codes now handle all ENDF formats and procedures through ENDF-6, and they have even been tested with all of the new ENDF/B-VII.0 evaluations that were approved by CSEWG in November 2006 and released for public use in December 2006
WARNING: The 2007 codes include extensions to handle all current ENDF formats and procedures, and corrections to problems that existed in earlier versions of these codes. As such the 2007 codes completely supersede all earlier versions and it is strongly recommended that all users of these codes only use the 2007 version of these codes. Failure to heed this warning can lead to completely erroneous results.
Consistent Handling of All ENDF Formatted Data
All of the codes = now use exactly the same routines to handle all ENDF formatted input and output. This has resulted in a completely consistent interpretation of all ENDF formatted data by all of the codes, and has also allowed the precision of t= he ENDF output to be consistently extended in all codes. For 2007 the ENDF out= put is completely consistent for input into C and C++ codes, while still maintaining the accuracy of the data.
Optional Input Parameters
All of the codes now allow input parameter files and ALL input parameters to be optional; all input parameters now have built-in default values. Of particu= lar note is that allowable uncertainties are now optional input. This allows us= to select what we consider the best choices, based on the most recent advances= in the speed and size of computer.
Computer
The only computer dependence in the 2007 codes is to define running time. Routines to define running time are supplied for most types of computers, and instructions are provided in this report to help you define a timing routine for any other t= ype of computer.
MAC OSX Executables
Earlier versions = of PREPRO supplied executables for MAC OS9. The current PREPRO supplies execut= able for MAC OSX (there is no executables for OS9). Under OSX the codes run much faster than under OS9. Under OSX the codes appear to the user very similar = to how they appear on a UNIX or LINUX computer. The exception being the on-scr= een graphics codes COMPLOT and EVALPLOT, which use the UNIX X11 graphics librar= y. On a MAC to execute these codes you must first start an X11 window and use = this as if it were a UNIX or Linux Window.
Bigger, Faster, Improved Accuracy
In line with the enormous increase in computer sizes during the last few years, the 2007 versions are bigger, allowing = more complicated problems to be run much more efficiently, and in general allowi= ng each problem to be run much faster= .
All of the codes =
now
use double precision throughout, resulting in improved accuracy. Compared to the earlier versions that used a
mixture of single and double precision, with modern compilers and hardware,
using double precision throughout has also contributed to making the codes =
faster.
On-Line Reports
All of the codes = now include an on-line report to your screen, and a report to an output file; t= he on-line report allows users to monitor the progress of each code as it exec= utes. Earlier versions had no on-line report; as far as what the user saw, the co= de started and ran to conclusion without printing anything on-line. This made = it impossible to monitor the progress of each code, and for long running probl= ems often resulted in users terminating the codes before they completed executi= on, because it appeared that the codes weren't doing anything.
Execution Timing
The codes now inc= lude a timer, to print execution time at the end of processing each evaluation (MAT), and at the end of execution.
Features of All Versions
Code Documentation
These codes are designed to be self-documenting, in the sense that the latest documentation= for each code is included as comments at the beginning of each code. Printed documentation, such as this report, is periodically published and consists mostly of a copy of the comment lines from the beginning of each code.
The user should be aware that the comment lines within the codes are continually updated to reflect the most recent status of the codes and these comments within the c= odes should always be considered to be the most recent documentation for the cod= es and may supersede published documentation, such as this document. Therefore users are advised to always read the documentation within the actual code t= hat is being used.
Data Documentation
It is essential t= hat the pedigree of the evaluated data be documented. This is the purpose of the comment lines at the beginning of each ENDF/B evaluation. The PREPRO codes = are designed to document any operations that they perform on ENDF/B data. If on= e of these codes produces ENDF/B formatted output which in any way effects the actual evaluated data, what the code did is documented by adding additional comment lines at the end of the comment lines at the beginning of each evaluation, defining the code and input parameters that it used. The sequen= ce of all such comments completely documents all of the operations that have b= een performed on the data. Code users are advised that it is very important to = leave this documentation directly inside each evaluation, i.e., please do not mod= ify these codes or the evaluations to remove this documentation.
Obtaining the Codes
These codes are available free of charge on CD ROM up=
on
request from the Nuclear Data Section (see addresses on cover page) or
downloaded from the Nuclear Data Section Web page
http://www-nds.iaea.org/ndspub/endf/prepro/
Your Fe= edback is IMPORTANT!!!
We are trying to develop a set of codes that are= as computer independent as possible. In this effort your feedback is IMPORTANT= !!! It is impossible for us to test these codes on all available computer/compi= ler combinations. Therefore your experience, on your specific computer/compiler= can help us to improve the computer independence of these codes. It is also in = your best interest to share your experience with us, since it will insure that future versions of these codes are as compatible as possible to meet your needs.
Please send all feedback via e. mail at,
mail=
to:services@iaeand.iaea.org
Implementing the Codes
What Computers do the codes run on?
The codes are designed to run on virtually any computer. The exceptions to this rule are the interactive graphics codes complot and evalplot, which are designed to produce on-screen graphics on U= NIX workstations, IBM-PC, PowerMAC and VMS, i.e., not mainframe computers. Howe= ver, even these codes can be used in their non-interactive mode, named comhard and evalhard (note the names to indicate hardcopy output), to produce Postscript formatted files that ca= n be printed on any Postscript printer.
For use on IBM-PC running Windows or Linux, and = on PowerMAC, the distribution includes executables, ready to use immediately. = For use on a variety of UNIX based computers, the distribution includes a batch file for each type of computer, to compile and load all programs, and to th= en clean up by deleting everything not required to execute the programs. For o= ther types of computers, see the section below on, Details of Compiling and Loading Codes
The Most
Up-to-Date Installation Instructions
The most up-to-date installation instructions, documentation, and the codes, can be downloaded from the website,
http://www-nds.iaea.org/ndspub/endf/prepro/
Read the text and then select “Download Codes&#=
8221;
or “Download Documentation”
We try to maintain these installation instructio= ns as up-to-date as possible, based on user feedback. So if you have any probl= ems or suggestions regarding installation please e.mail them to the Nuclear Data Section at,
mail=
to:services@iaeand.iaea.org
Registe=
r as a
User
We try to maintain t= hese codes and data as up-to-date as possible. So if you are using any of these codes it is important that you tell us about this, so that the Nuclear Data Section can put your name on the distribution list to inform you about the latest updates. This is a FREE!!! service which is provided to users of these codes. = We have tried to make this as easy as possible for you - PLEASE take a moment = to e.mail to mailto:service= s@iaeand.iaea.org, and tell what codes you are using, and what type of computer(s) you are using - it’s as simple as that.
=
=
Use of
Codes
Read the
Output Reports
MOST IMPORTANT! You cannot use these codes like a black box and assume that everything is perfect. Don't make the mistake of assuming that all ENDF/B d= ata is perfect, or that these codes are perfect. It's up to you, the code user,= to check and be sure that the data output by these codes is accurate and can be used in applications. If you don't, you are wasting your time, and will pro= duce inaccurate results in your applications.
You can do this by reading the output reports produced by each code. These output reports will generally be quite small. = They are intended to be used by you to quickly scan through them and look for WARNING or ERROR messages - these indicate problems with the ENDF/B data th= at you should check before using the data in any applications. You need not re= ad each output report in detail; it is sufficient to merely search for the wor= ds WARNING or ERROR – these will always accompany important messages.
Checking these output reports doesn't take very = much time, but failing to check them can cause you to waste an awful lot of time= and can cause you headaches later, if you try to use data that a code has clear= ly indicated to be bad. If there are errors in the ENDF/B data, you are clearl= y in a “garbage in, garbage out” situation as far as the result you calculate in your applications. Ca= veat Emptor!
Standar=
d and
Variable Filenames
Currently all input files and input parameters a= re optional, and have built-in default values.
All of the codes have standard, built-in, filena= mes, that they will use by default, unless input parameters explicitly define ot= her filenames.
The default filenames have been defined to make = it easy for you to remember, and to be compatible with as many operating syste= ms as possible, e.g., DOS, that only allows short filenames, and Unix, that al= lows longer filenames. The default filenames are all of the form NAME.EXT, where NAME identifies a program name, and EXT identifies the type of file. All default filenames use ONLY upp= er case characters. The basic filenames include,
1) ???.= INP - The INPut parameters for each code, where ??? is the name of the code. For example, the input parameters = for RECENT are in a file named RECENT.INP. This name cannot be c= hanged by input. Currently these input files are optional; if they are not present default values are used for all input parameters.
2) ???.= LST - The output LiSTing from each code, where ??? is the name of the code. For example, the output listing from R= ECENT is in a file named RECENT.LST.= This name cannot be changed by input.
3) ???.= IN - ENDF formatted data to be read (= INput) be each code, where ??? is the name of the code. For example, the ENDF/B da= ta read by RECENT are in a file n= amed RECENT.IN. This name can be chang= ed by input.
4) ???.= OUT - ENDF formatted data written (OUT= put) be each code, where ??? is the name of the code. For example, the ENDF/B da= ta written by RECENT are in a file named RECENT.OUT. This name ca= n be changed by input.
The above simple filename conventions will allow= you to easily remember for each code, where the input parameters and output rep= ort are located, as well as where the ENDF/B data that is read and written by t= he code are located.
By input you can change the filenames of the ENDF formatted data files; data read and/or written.
If you input blank filenames the codes will use the default names (described above).
If you input anyt= hing else, the code will use the filenames you have defined. Variable filenames = for each code can be up to 60 characters long. This allows you to specify direc= tory structures, so that you can store your ENDF/B data in some rational way wit= hin a directory file structure.
For example if you store all of the ENDF/B-VI data files in a directory named ENDFB6, the following input filename used with linear will read a file named za092238 on an IBM-PC,
\ENDFB6\ORIGINAL\= za092238
or on a Unix workstation,
/ENDFB6/ORIGINAL/za092238
Warning - generally on Unix workstations you will have to inclu= de the complete path to files. For example, the path to my files on my worksta= tion may be /home/pd11/cullen, in which case my filename should be,
/home/pd11/cullen/ENDFB6/ORIGIN= AL/za092238
The ability to di= rectly reference file structures is a very powerful facility that you should not overlook in organizing your ENDF/B data.
Brief Description
Recent &= nbsp; - Reconstruct cross sections from resonance parameters
Sigma1 &= nbsp; - Doppler broaden cross sections
Activate - Generate activation cross sections (MF=3D10) from MF=3D3 and 9 dat= a
Legend &= nbsp; - Calculate/correct angular distributions
Sixpak &= nbsp; - Convert double differential data (MF=3D6) to single differential
Fixup &= nbsp; - Correct format and cross sections, define cross sections by summation
Dictin &= nbsp; - Create reaction dictionary (MF=3D1, MT=3D451)
Merger = - Retrieve and/or Merge evaluated data
Groupie &= nbsp; - Calculate group averages and multi-band parameters
Complot = - Plot comparisons of cross sections (MF=3D3, 23); Comhard for hardcopy
Evalplot = - Plot evaluated data (MF=3D3, 4, 5, 23, 27); Evalhard for hardcopy
Mixer &= nbsp; - Calculate mixtures of cross sections
Virgin &= nbsp; - Calculated transmitted uncollided (virgin) flux and reactions
Convert &= nbsp; - Convert codes for computer/precision/compiler
Relabel &= nbsp; - Relabel and sequence programs
Detailed Description
The codes can be = used to: 1) extensively check and correct evaluated data prior to using them in applications, 2) pre-process the data into a form that will make subsequent= use of the data much easier.
The normal sequen= ce in which the codes are used is described below. WARNING - this is= the recommended sequence of codes that you should run to produce LEGAL ENDF formatted data, that c= onforms to ALL ENDF formats and conven= tions. Note in particular that if you do not run FIXUP and DICTIN at the end of this sequence the resulting ENDF data W= ILL NOT conform to all ENDF formats and conventions, and may cause problem = if you subsequently try to use the data.
1) LINEAR - Linearize cross sections= . ENDF format allows cross sections to be represented as tables of data points usi= ng a number of different interpolation laws between tabulated points; in order to obtain accurate results it is important to interpret the data using these interpolation laws. The interpolation laws are very useful during evaluatio= n, but can present problems when they are used in applications. The subsequent= use of the data can be greatly simplified and the accuracy of results improved = by first linearizing all of the cross sections, i.e., replace the original tabulated data points and interpolation law by a new table where one can use linearly interpolation between tabulated points to within any required accuracy.
2) RECENT - Add the contribution of resonances to the cross sections. ENDF format allows cross sections to be represented as a contribution of resonance parameters and tabulated backgro= und corrections. This code will add the resonance contribution to the backgroun= d cross sections in order to define the cross sections as linearly interpolable tab= les at 0 Kelvin (cold). Therefore subsequent codes need only deal with tabulate= d, linearly interpolable, 0 Kelvin cross sections.
3) SIGMA1 - Doppler broaden cross se= ctions to any temperature of interest in applications. As in the case of LINEAR and RECENT all cross sections read and written by this code are tabulated, line= arly interpolable. All subsequent codes need not explicitly consider temperature effects and need only deal with tabulated, linearly interpolable cross sect= ions at a given temperature.
4) ACTIVATE – Combine neutron interaction cross sections (MF=3D3) and multipliers (MF=3D9) to create acti= vation cross sections (MF=3D10). LINEAR and GROUPIE have been updated to process multipliers (MF=3D9) and activation cross sections (MF=3D10). The sequence = of codes LINEAR, ACTIVATE, and GROUPIE allow you to produce group averaged activation cross sections.
5) LEGEND - Convert tabulated distributions and Legendre coefficients to linearly interpolable tables (similar to what LINEAR does f= or cross sections). Check all angular distributions and Legendre coefficients,= in particular check for negative angular distributions and if found, correct t= he distributions to make them positive. Note, negative angular distributions c= an lead to numerical instabilities and unreliable results if they are used in applications.
6) SIXPAK - ENDF-6 format introduced double differential data (MF=3D6) into the ENDF/B system for the first time= . If your application codes have not yet been updated to handle double different= ial data, you can use SIXPAK to ob= tain single differential (MF=3D4 and 5) approximations to double differential da= ta. Earlier versions of SIXPAK only output results for outgoing (emitted) neutr= ons and photons, however currently SIXPAK will output angular distributions for discrete charged particle levels.
7) FIXUP - Define all cross sections= to be consistently exactly equal to the sum of their parts, make format correctio= ns, and a number of other tests and corrections to the data, BEFORE the data is actually used in applications. It is extremely important for use in applications to guarantee that the cross sections are exactly consistent. F= or example, the total cross section MUST to defined as equal to the sum of its parts at all energies that appear in one or more of the contributing parts.= In addition it should be mentioned that the total will be equal to the sum of = its parts at all energies (not just the energies at which the total is tabulate= d), only if all of the cross sections are linearly interpolable; this illustrat= es the importance of the steps described above in processing data through each= of these codes. Note, if FIXUP's option to output all cross sections on a unif= orm energy grid is used, the FIXUP output is compatible for use as NJOY input.
8) DICTIN - Update the section index= in MF=3D1, MT=3D451. This step need only be run if the subsequent codes that u= se the data refer to this index. If you are unsure whether or not this is the case= , it is always best to include this step, since relative to the other codes described above this step requires very little running time.
After this sequen= ce of codes has been run the results will be evaluated data that has been carefully checked for consistency and has been reduced to a form that can be used more easily and reliably in subsequent applications.
In addition to the codes mentioned above, this package includes a number of useful utility cod= es including,
1) MERGER - Retrieve and/or combine evaluated data. This code can be used to create a single file of data in the ENDF format from a number of different files, each of which is in the ENDF format. It can also be used to retrieve specific evaluated data from a larg= er ENDF/B library in order to simplify and optimize the subsequent use of the = data in applications, e.g., if you have an entire ENDF/B library, but will only = be using five evaluations for your applications, you can first use this code to create a mini-library containing only the five evaluations that you need for your application.
2) GROUPIE - Calculates self-shielde= d, multigroup cross sections and multiband parameters. This code can be used a= s a simple and very economical means of obtaining multigroup cross sections, in= the ENDF format, which can be used in many applications where only multigroup c= ross sections are required, e.g., dosimetry. For comparing data using COMPLOT this code can be used to = reduce evaluations that have many resonances, to a form in which integral differen= ces through the resonance region can be more easily seen.
3) COMPLOT – Plot a comparison= of cross sections from two different evaluations. This code can be used to com= pare cross sections, for each reaction, to define exactly how two evaluations differ. This can be extremely important if one has already used a given evaluation in applications and wishes to quickly and inexpensively determine whether or not a newer evaluation can be expected to produce significantly different results when used in applications. It is also an excellent and si= mple means of documenting the differences between two evaluations, e.g., what's = the difference between the ENDF/B-VI, Release 4 and 5, U-235 cross sections? See the above comments under GROUPIE for suggestions concerning comparing evaluations that have many resonances. This code can be used as a simple means of visually checking all of these cross section data types and is often very useful to help understand the results obtained when data is used in applications. In addition, the graphic Postsc= ript output can serve as a part of the documentation for evaluations. Two versio= ns of exactly the same code are provided: complot to produce on-screen graphics, and comhard to produce Postscript, hardcopy, output.&n= bsp;
4) EVALPLOT - Plot cross sections, angular distributions, Legendre coefficients and/or energy distributions, f= or neutron interaction data, neutron induced photon production data, and photon interaction data. This code can be used as a simple means of visually check= ing all of these data types and is often very useful to help understand the res= ults obtained when data is used in applications. In addition, the graphic Postsc= ript output can serve as a part of the documentation for evaluations. Two versio= ns of exactly the same code are provided: evalplot to produce on-screen graphics, and evalhard to produce Postscript, hardcopy, output.&n= bsp;
5) MIXER - Can be used to define the= cross sections for a combination of materials, e.g., stainless steel. This code c= an be used in combination with COMPLO= T to see which energy ranges are important for each material and each constit= uent of a material. This code can also be used to define the correct total cross section for use in transmission calculations (see, VIRGIN), as well as in self-shielding calculations (see, GROUPIE), in order to avoid the approximations normally incoherent in the Bonderenko method of self-shieldi= ng. Since ENDF/B-VI has moved in the direction of representing separate isotopes for each element, this code is particularly useful if your applications only requires a natural mixture of isotopes, e.g., use MIXER to combine isotopes into the natural element.
6) VIRGIN - Can be used to perform e= xact uncollided (virgin) transmission calculations (exact, assuming the tabulate= d, linearly interpolable cross sections are exact - no other approximations are used). By using the data that has been prepared by a combination of LINEAR, RECENT, SIGMA1, MIXER, et= c., this code can be used to simulate transmission through any given material, = or layers of different materials, at any given temperature. The results include both transmitted flux and reaction rates (as measured in self-indication measurements) vs. material thickness. The results can be obtained either on= a continuous energy basis, or they can be binned (energy integrated) to simul= ate any given experimental resolution.
In addition there= are two utility codes that operate on the codes, rather than on ENDF/B data.
1) RELABEL - Is a file maintenance c= ode used to maintain all of the codes in this package. This code will normally = not be used by users, unless they plan to modify these codes.
2) CONVERT - Format and optimize cod= es for use at any given computer installation. This code is no longer required by = the PREPRO, since the codes are now completely computer independent. It is still included in this package only because users have found it useful for other purposes. Generally this code was used only once to format all of the codes prior to their first use on any computer.
Verifying Implementation
This distribution comes with a file named VERIFY, which is designed to run all of the codes, = one after another, with the final two steps being to run EVALPLOT and COMPLOT, = so that you can see the final results. VERIFY is a simple text file; its conte= nts are shown below,
linear
recent
sigma1
activate
legend
fixup
dictin
groupie
mixer
virgin
evalplot
complot
When executed as a batch file, this will run the codes in the order indicated. The distributed input parameters have been defined so that each code reads the ENDF formatt= ed data file produced by the preceding code, and writes the ENDF formatted data file that will be read by the following code.
To verify implementation immediately after you have installed the codes, DO NOT change any input parameters for ANY codes, and execute VERIFY. It will take betwee= n 5 minutes and an hour (depending on the speed of your computer), to run all of the codes. When you get to the final two graphics codes, EVALPLOT and COMPL= OT, you can be assured that all of the codes have run successfully.
COMPLOT will comp= are the cross sections calculated by you on your computer to a standard set of results distributed with PREPRO 2007. In both cases cross sections are calculated by each code to within an accuracy of 1 %. Therefore when COMPLOT compares the results you may find differences of about 1 %. This difference= is o.k., and merely indicates the differences due to precision to which the cr= oss sections have been calculated. Subsequently, for use in your applications y= ou can feel free to modify the input parameters for each code to meet the precision that you require.
WARNING – f= or UNIX users - some UNIX systems now include diction as a system command. In order to avoid this conflict, in PREPRO 2007 the code previously named dict= ion has been renamed dictin.
Use of the Codes in Combination
Almost any comput= er will allow you to submit a batch job, in which case you can perform any num= ber of operations one after the other, as is done in the above verification. Th= ese computers can utilize this facility to run any number of these codes in combination, minimize the total amount of disk space used, and most importa= nt, optimize the use of your time.
In order to run a= ny number of codes one after the other, all you need is the facility to: 1) st= art a program, 2) rename a file, 3) delete a file, if you want to minimize disk space.
For example, if I want to run the sequence of codes, LINEAR, RECENT, SIGMA1, ACTIVATE, LEGEND, FIXUP and DICTIN and only keep the original data read by LINEAR and the final results output by DICTIN, I can use the standard ENDF filenames for the data read and written by each code, and submit the following batch file on an IBM-PC,=
linear
rename LINEAR.OUT RECENT.IN
recent
delete RECENT.IN<= /p>
rename RECENT.OUT SIGMA1.IN
sigma1
delete SIGMA1.IN<= /p>
rename SIGMA1.OUT ACTIVTE.IN
activate
delete ACTIVATE.I= N
rename ACTIVATE.O= UT LEGEND.IN
legend
delete LEGEND.IN<= /p>
rename LEGEND.OUT FIXUP.IN
fixup
delete FIXUP.IN
rename FIXUP.OUT DICTIN.IN
dictin
delete DICTIN.IN<= /p>
Note, when each c= ode finishes the above batch deck renames the ENDF formatted data output by the code to the filename of the ENDF formatted data input to the next code. When the next code finishes, the ENDF formatted data input to it is deleted (we = no longer need it), and the cycle starts for the next code. More efficiently y= ou could have defined ENDF input and output file names in the input parameter files for each code to link them together, e.g., instead of copying LINEAR.= OUT to RECENT.IN, you could have defined the input file to RECENT to be named LINEAR.OUT.
The result will be the original data read by LINEAR is still in the file named LINEAR.IN<= /b>, and the final result is in the file named DICTIN.OUT. All other intermediate files have been deleted.
On any other syst= em, such as Unix, the names delete= and rename may be different, but the = basic idea remains the same.
An alternative to= the above approach is to use the facility of the codes to read and write files = from any file structure. For example, assume I have a directory named ENDFB6, and within this directory I have three sub-directories: ORIGINAL, TMP, and K300 (data Doppler broadened to 300 Kelvin). What I can do is define LINEAR input parameters to read a= file from ENDFB6/ORIGINAL, define input parameters to RECENT, SIGMA1, ACTIVATE, LEGEND and FIXUP to produce ENDF output in ENDFB6/TMP, and have each code = read the output from the preceding code. Finally I can define DICTIN input parameters to write the ENDF output into ENDFB6/K3= 00, with its final filename. In this case if I do not worry about deleting the intermediate files, the batch input need only be the names of the codes to = run, i.e.,
linear
recent
sigma1
activate
legend
fixup
dictin
Using a batch approach can save you a great deal of your precious time. You don't have to= sit there and babysit your terminal in order to start each code as the preceding one finishes. You can use batch jobs to combine code executions, and go off= to work (or play) until the sequence of codes finishes. If you then want to be= sure that everything ran correctly, you can read the output reports from each co= de, i.e., see the ???.LST from each code, e.g., for RECENT see RECENT.LST – it is HIGHLY Recommended that you always read these files.
Details of Compiling and Loading Code=
s
For use on IBM-PC
running Windows or Linux, and on PowerMAC, the distribution includes
executables, ready to immediately use. For use on a variety of UNIX based
computers, the distribution includes a batch file for each type of computer=
, to
compile and load all programs, and to then clean up by deleting everything =
not
required to execute the programs. Only for other types of computers need yo=
u be
concerned with the details concerning compiling and loading the codes, which
are described here.
Parts o= f the Codes
The codes have now been divided into a number of parts that should be combined when compiling and loading; see, example compile/load instructions below. The parts are,
1) The basic code
2) An include file to define code storage
3) Routines to allow all codes to now uniformly treat all ENDF formatted input and output (endfio.f)
4) Routines to allow scratch files to be defined either with or without file names,
scratch= a.f =3D with file name
scratch= b.f =3D without file name
Most compilers/computers allow scratch files to = be defined without scratch file names, so use either scratcha.f or scratchb= .f. However, some compilers/system combinations get confused when there are multiple scratch files without file names, e.g., Lahey on IBM-PC (use scratcha.f), and some compilers d= o not allow scratch files with file names, e.g., ABSOFT on IBM-PC and Power MAC (= use scratchb.f).
4) A timer, to define the execution time for each code. The standard timer routine (= timer.f) distributed with the codes uses the standard Unix routine ETIME; on some computers you will have to consult the on-line manual to see how to link to ETIME= , e.g., HP.
If you are not using a Unix based computer, you = will have to supply your own timing routine. It is recommended that you use the distributed version of timer.f= , and add a function ETIME, that def= ines the execution time on your computer - see, the timing routines included for= a variety of UNIX computers
If you do define a non-standard timer, try to de= fine EXECUTION - NOT WALL CLOCK time - on some computers this isn't possible, e.= g., IBM-PC running DOS - in which case use whatever you can.
<= /p>
If you can't figure out how to define running ti= me, or you don't want the codes to print running time, instead of using the distributed timer.f, define an= d use the following dummy routine,
SUBROUTINE TIMER
RETURN
END
If you do define a non-standard timer, PLEASE se= nd us a copy, identifying what computer/compiler you are using - over a period= of time we intend to build up a library of timer routines for as many different computers as possible - which we will then distribute with the codes =3D fu= ture versions will be more compatible to meet your needs.
5) A graphics interface, for complot and evalplo= t.
Compili= ng/Loading
This section applies to all of the codes, except= the graphics codes, complot and evalplot; see, below under graphi= cs codes. Below is an example of how to compile/load the codes on a Unix based computer. For this example I illustrate how to create executables on a SUN workstation; timing routines are provided for most types of computers. Note= ,
1) No special libraries are used by these codes,= so that compile/load instructions are very simple.
2) How the pieces are combined.
3) Use the HIGHEST LEVEL OPTIMIZATION available = on your computer - this can make a BIG difference in running time.
4) SUN.f is the timing routine to use on a SUN workstation. Similar timing routines are provided for most types of compute= rs.
f77 -o linear&=
nbsp;
-O linear.f endfio.f
scratchb.f timer.f SUN.f
f77 -o recent&=
nbsp;
-O recent.f endfio.f
scratchb.f timer.f SUN.f
f77 -o sigma1&=
nbsp;
-O sigma1.f endfio.f
scratchb.f timer.f SUN.f
f77 -o fixup -O fixup.f endfio.f scratchb.f timer.f =
SUN.f
f77 -o legend&=
nbsp;
-O legend.f endfio.f
scratchb.f timer.f SUN.f
f77 -o sixpak&=
nbsp;
-O sixpak.f endfio.f
scratchb.f timer.f SUN.f
f77 -o mixer -O mixer.f endfio.f scratchb.f timer.f =
SUN.f
f77 -o merger&=
nbsp;
-O merger.f endfio.f
scratchb.f timer.f SUN.f
f77 -o dictin&=
nbsp;
-O dictin.f endfio.f
scratchb.f timer.f SUN.f
f77 -o virgin&=
nbsp;
-O virgin.f endfio.f s=
cratchb.f
timer.f SUN.f
f77 -o groupie -O groupie.f endfio.f scratchb.f
timer.f SUN.f
f77 -o relabel -O relabel.f
f77 -o convert -O convert.f
Graphics Codes
The graphics codes - complot and evalplot <= /b>- can be used to produce either,
1) Postscript output files for printed hardcopy, using executables named comhard and evalhard.
2) On screen graphics, using executables named complot and evalplot.
The two executables, complot and comhard, are exactly the same code, loaded with different graphics interfaces; both executables use the same input and output files, COMPLOT.INP and COMPLO= T.LST. Similarly, the two executables, ev= alplot and evalhard, are exactly the = same code, loaded with different graphics interfaces; both executables use the s= ame input and output files, EVALPLOT.I= NP and EVALPLOT.LST.
Postscr= ipt Output Files
The Postscript graphics interface should be completely computer independent, and as such should run on any computer.
It will create a series of output files - none of which are sent to your printer during execution of the code.
Output for each plot is saved on disk, so when t= he code ends all of the plot files will still be on disk, and you can then send them to your printer, and/or, save them for later use.
WARNING= - the codes always use the same file names, PLOT0001.ps, PLOT0002.ps, etc. So that running a code again will overwrite any files that you previously created. If you want to save files, moved them or rename them before running a code again.
To use this method to create these Postscript fi= les use hardsave.f with the codes.=
For Postscript graphics, no special libraries are used, and an example of how to compile/load the codes on a Unix based compu= ter is shown below - this is very similar to the compile instructions shown abo= ve, with the addition of hardsave.f,
f77 -o comhard=
-O complot.f endfio.f
scratchb.f timer.f hardsave.f SUN.f
f77 -o evalhard -O evalplot.f endfio.f scratchb=
.f
timer.f hardsave.f SUN.f
Note, that here the executables are given the n=
ames
for the hardcopy versions of the codes, comhard
and evalhard.
On Scre= en Graphics
For on screen graphics the codes are loaded with= screen.f, in contrast to the hard= copy version of the codes, described above, for Postscript graphics that are loa= ded with hardsave.f.
Example Makefiles are included for a variety of = Unix systems.
On screen graphics is VERY computer dependent, s= o on Unix computers you may have to modify the Unix Makefile - this should only involve finding out where the X11 graphics library is on your computer, and setting the correct path in the Makefile.
If you do have to modify the Makefile, please se= nd me a copy of the modified file, identifying your computer, so that we can b= uild up a library of Makefiles to be distributed with the codes then future vers= ions will be compatible with your needs.
The codes are distributed with graphics interfac= es for,
1) Unix, MAC OSX, and openVMS systems, using the= X11 graphics library (screen.f, nodash.c, dash.c)
2) If you are usi= ng any other system, you will have to supply your own graphics interface - see= , screen.f for a description of the simple interface used by these codes.
Interacting with Graphics
When you are usin= g evalplot there is no true on-scre= en interaction with the plots. If you wish to view different data over differe= nt energy ranges your only option is to change your input parameters in the fi= le EVALPLOT.INP.
When you are using complot you can interact with the on-screen plots. Once a plot is displayed on your screen = if you would like to see a portion of the energy range of the plot in greater detail, you can do this by using your mouse to zoom in by indicating the lo= wer and upper energy limits of the energy range you would like to see. As soon = as you select the range the next zoomed plot will appear on your screen, with = the same data as on the previous plot, but only over the energy range that you = have selected. WARNING – complot<= /b> only generates plots when the two evaluations differ by more than the allow= able uncertainty you define by input in the file COMPLOT.INP. This also applies when you interact with the plots. Therefore, if you use your mouse to select an energy range over which the t= wo evaluations do not differ by more than your allowable uncertainty a zoomed = plot will not be produced, but the results of the comparison will be reported in= the output file COMPLOT.LST, and compl= ot will proceed to its next comparison.
Comments from Codes
These codes are designed to be self-documenting, in the sense that the most up-to-date documentation is included as comments at the beginning of each code. Periodically documentation, such as this report, is published. But the user= is warned that the comments in the codes are continuously updated and it is th= ese comments within the codes that should be considered to be the most up-to-da= te documentation, and the user should read these comments before, and while, u= sing these codes.
The following sec= tion contains a listing of the comments from the codes as of the publication dat= e of this report. The comments are listed for each code alphabetically according= to the name of the code, including,
ACTIVATE
CONVERT
COMPLOT
DICTIN
EVALPLOT
FIXUP
GROUPIE
LEGEND
LINEAR
MERGER
MIXER
RECENT
RELABEL
SIGMA1
SIXPAK
VIRGIN
&= nbsp; &nbs= p; &= nbsp; &nbs= p; &= nbsp; &nbs= p; &= nbsp; &nbs= p; PREPRO 2007