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NEA-1278 CALENDF-2010.

CALENDF-2010, Pointwise, Multigroup Neutron Cross-Sections and Probability Tables from ENDF/B Evaluations

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1. NAME OR DESIGNATION OF PROGRAM:  CALENDF-2010.
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2. COMPUTERS
To submit a request, click below on the link of the version you wish to order. Only liaison officers are authorised to submit online requests. Rules for requesters are available here.
Program name Package id Status Status date
CALENDF-2010 NEA-1278/05 Tested 04-JUN-2012

Machines used:

Package ID Orig. computer Test computer
NEA-1278/05 Linux-based PC,PC Windows Linux-based PC,PC Windows
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3. DESCRIPTION OF PROGRAM OR FUNCTION

The CALENDF Nuclear Data Processing System is used to convert the evaluation defining the cross-section in ENDF format (i.e. the pointwise cross-sections and/or the resonance parameters, both resolved and unresolved) into forms useful for applications. Those forms used to describe neutron cross-section fluctuations correspond to "cross-section probability tables", based on Gauss quadratures and effective cross-sections. CALENDF also provides capabilities for group collapsing, for merging of several nuclei and for temperature interpolation; these calculations are based on data probability table description.

CALENDF-2010 represents a Fortran-95 update of the 2002, 2005 code distribution with emphasize on programming quality and standard, physics and usage improvements. CALENDF consists of a set of modules, each performing a well-defined processing task. Each of these modules is essentially a separate computer program linked together by input and output files and some common constants. Devised to process multigroup cross-sections it relies on GAUSS quadratures mathematical principle and strength. The following processes can be handled by the code:

- moment probability tables and effective cross-sections calculation
- probability table condensation
- probability table mix for several isotopes
- probability table interpolation
- effective cross section calculation based on probability table calculations
- probability table calculations from effective cross-sections
- effective cross-section comparison
- complete energy pointwise cross-section processing
- thickness dependant averaged transmission sample calculation.
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4. METHODS

Due to the diversity of the calculations, several physical modeling and numerical techniques or algorithms are used, including:
- the use of stratified sampling for random resonance parameter generation (in the unresolved resonance range)
- the use of improved Multi-Niveau Breit and Wigner (MNBW # MLBW) approximation when it is valid
- the use Reich-Moore (RM) method, when the MLBW approximation is not valid
- the calculation of probability tables which are, in fact, Gauss quadrature tables
- the use of Pade approximants and Gauss quadratures for various computations
- the cubic interpolation.
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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

- No limitation on the size of the pointwise or multigroup energy mesh.
- All the defaulted dimensions or options can be modified by the users.
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6. TYPICAL RUNNING TIME

For calculations starting from evaluations, the computing time depends greatly on the evaluation, on the required accuracy and on the group mesh chosen. All 29 test cases ran in about 10 minutes on a single 2.4 Ghz Intel processor.
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7. UNUSUAL FEATURES

- Systematic use of Pade approximant and Gauss quadratures.
- Cubic interpolation.
- Unresolved resonance range interpretation.
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8. RELATED OR AUXILIARY PROGRAMS

Supersedes the 2005 CALENDF program distribution. MERGE (bind a GENDF file and its probability tables in MF-50), GECCO (Check and format ECCO libraries) and CONDENA (computes broad groups probability tables from fine groups one).
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9. STATUS
Package ID Status date Status
NEA-1278/05 04-JUN-2012 Tested at NEADB
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10. REFERENCES

- P Ribon and J M Maillard:
"Probability tables and Gauss quadrature: application to neutron cross sections in the unresolved energy range", CONF-860906-26 (Sep 1986); CEA-N-2485, 1986.
- P Ribon:
"Resonance self-shielding calculation with regularized random ladders", Ann. Nucl. Energy (UK) 13:4, 1986.
- G Rimpault et al.:
"Validation of new sub-group algorithms for resonance self-shielding in heterogeneous structures", INIS-XN-305, CONF-8906162, 1989.
- P Ribon:
"Statistical probability tables CALENDF program", INIS-XN-305, CONF-8906162, 1989.
- C J Dean et al.:
"Production of fine group data for the Ecco code", CONF-900418, 1990.
- A Hebert and M Coste:
"Computing Moment-Based Probability Tables for Self-Shielding Calculations in Lattice Codes", NSE 142, 245-257, 2002.
NEA-1278/05, included references:
- J-Ch Sublet, P Ribon, M Coste-Delclaux:
CALENDF-2010 : User Manual Rapport CEA-R-6277, ISSN 0429-3460, 2011.
- J-Ch Sublet, R. M. Blomquist, S Goluoglu, R. E. MacFarlane:
Unresolved Resonance Range Cross Section, Probability Tables and Self
Shielding, Rapport CEA-R-6227, ISSN 0429-3460, 2009.
- R. E. MacFarlane, R. M. Blomquist, D. E. Cullen, E. lent, J-Ch Sublet:
A Code comparison study for the big ten assembly, Report LA-UR-08-4668, 2008.
- J-Ch Sublet, C Dean, D Plisson-Rieunier:
ECCOLIB-JEFF-3.1 Libraries. Rapport CEA-R-6100, ISSN 0429-3460, 2006.
- C Jouanne, J-Ch Sublet:
TRIPOLI-4.4 JEFF-3.1 Based Libraries, Rapport CEA-R-6125, ISSN 0429-3460, 2006.
- J-Ch Sublet, P Ribon: Current Status of CALENDF-2005, Wonder 2006.
- J-Ch Sublet, P Ribon: A Probability Table Based Cross Section Processing
System: CALENDF ? 2001, Preprint ND-2001 proceedings, Journal of Nuclear
Science and Technology, AESJ, Supplement 2, p.856-859, August 2002
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11. HARDWARE REQUIREMENTS

Around 300 Mb of disk space and a few Mb of computer memory at run time.
CALENDF-2010 was tested at the CCFE on the following platforms:
- Oracle Solaris 5.11 & Oracle Studio 12 Fortran 77/95 Compilers
- Mac Pro OsX 10.7.2, Ubuntu-10, Fedora-15, Cygwin & gfortran 4.5
- Mac Pro OsX 10.7.2, & g95 0.92
- Mac Pro OsX 10.7.2 & Intel Compiler XE 12.1
- Window 7 & Intel Compiler XE 12.1
- Window XP & Lahey/Futjitsu Fortran 95 Release 5.7
NEA-1278/05
TESTED at the NEA DB on:
- COMPUTER :
- Virtual machine Intel(R) 686 512 MB ram with 32 bit processor
- Virtual machine Intel(R) 686 512 MB ram with 64 bit processor
- Dell INTEL Duo E6550,  2.33 GHz (for Windows)

- OPERATING SYSTEM : Linux UBUNTU  10.04 for the virtual machine
                     DOS, under Windows XP Pro SP 3

- COMPILER: F95 compiler Ubuntu (Linux)
            Lahey/Fujitsu F95 v7.1 for PC
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12. PROGRAMMING LANGUAGE(S) USED
Package ID Computer language
NEA-1278/05 FORTRAN-90, FORTRAN-95
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13. SOFTWARE REQUIREMENTS
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14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS

Fortran compiler FFLAGS for normal, full debugging and fast execution are provided for each compilers and platforms. Older Fortran compiler releases, on all platforms, are generally not supported.
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15. NAME AND ESTABLISHMENT OF AUTHORS

Dr Pierre Ribon
91440 Bures Sur Yvette, France

Dr Jean-Christophe Sublet
Culham Centre For Fusion Energy, CCFE
Culhan Science Centre
Abingdon, Oxfordshire
OX14 3DB United Kingdom

Mireille Coste-Delclaux
CEA, DEN/DM2S/SERMA
91191 Gif Sur Yvette Cedex, France

Developed by:
Commissariat a l'Energie Atomique
Centre de Saclay
Batiment Siege
91191 Gif-sur-Yvette, France
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16. MATERIAL AVAILABLE
NEA-1278/05
README Readme file
/N2010-86      CALENDF Unix directory
Makefile       File to compile CALENDF and create the executable xcalendf
Makeliste      c-shell make (>&) output
*.f            Calendf source code files
xcalendf       Calendf executable (OsX 10.7.2)
system dependent sub-directories:
/Oracle        Oracle x86
/Fedora        Fedora 15
/Ubuntu        Ubuntu 10
/OsX           OsX gftran
/OsX           OsX Intel
/Cygwin        Gfortran
/QAcal         Directory containing test cases
Runtest        Unix script to run all test cases
in****         CALENDF input data
/testresults   Directory containing the test case reference results
/N2010-86-win  CALENDF-2010 Windows directory
xcalendf.exe   Calendf executable (Intel 64-bit)
/Src           Source code directory
build_xxx.bat  The batch files needed to compile CALENDF and create the
executable xcalendf
*.for          Calendf source code
/exec          Directory containing compiled executables
/QAcal         Directory containing test cases
Runtest.bat    Batch file to run all test cases
in*****        CALENDF-2010 input files
/testresults   Directory containing the test case reference results
/Docs          documentation and user manuals in Acrobat PDF format
/Util          Directory containing utility codes
/gecco         Ecco library interface
/merge         Merge NJOY-GENDF and probability tables (MF-50)
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17. CATEGORIES
  • A. Cross Section and Resonance Integral Calculations
  • B. Spectrum Calculations, Generation of Group Constants and Cell Problems

Keywords: Doppler broadening, ENDF/B, Gauss quadrature, Monte Carlo method, R matrix, data processing, epithermal neutrons, interpolation, multigroup, neutron cross sections, porter-thomas distribution, probability, random number generators, reich-moore formula, resonance, self-shielding, unresolved region.