NEA-1278: CALENDF-2005, Pointwise, Multigroup Neutron Cross-Sections and Probability Tables from ENDF/B Evaluations

Program-name Package-ID Status CALENDF NEA-1278/01 Obsolete CALENDF NEA-1278/02 Obsolete CALENDF-2002 NEA-1278/03 Obsolete CALENDF-2005 NEA-1278/04 Tested

Machines used: Package-ID Orig.Computer Test Computer NEA-1278/04 Linux-based PC,PC Windows,UNIX gen. W.S. Linux-based PC,PC Windows

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 represents a Fortran-95 update of the 2002 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.

4. METHODS -
Due to the diversity of the calculations, several physical modelling 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.

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.
- The only limitation of the present version of CALENDF (CALENDF-2005) is the fact that the various partial cross sections are collapsed into five main groups of cross sections. This number could be extended in forthcoming version.

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 27 test cases ran in about 20 minutes on a Pentium M 1.7 Ghz.

7. UNUSUAL FEATURES -
- Systematic use of Pade approximant and Gauss quadratures.
- Cubic interpolation.

9. STATUS
NEA-1278/01: 29-OCT-2003 Obsolete
NEA-1278/02: 29-OCT-2003 Obsolete
NEA-1278/03: 14-DEC-2006 Obsolete
NEA-1278/04: 02-FEB-2009 Tested at NEADB

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.
- J-Ch Sublet, P Ribon and M Coste-Delclaux, CALENDF-2002: User Manual, Rapport CEA-R-6020, ISSN 0429-3460, 2003 (2003)
NEA-1278/04:
- JC Sublet, C Dean, D Plisson-Rieunier:
ECCOLIB-JEFF-3.1 Libraries
Rapport CEA-R-6100, ISSN 0429-3460, 2006
- JC Sublet, P Ribon, M Coste-Delclaux:
CALENDF-2005 : User Manual
Rapport CEA-R-6131, ISSN 0429-3460, 2006
- C Jouanne, JC Sublet:
TRIPOLI-4.4 JEFF-3.1 Based Libraries
Rapport CEA-R-6125, ISSN 0429-3460, 2006
- JC Sublet, P Ribon:
Current Status of CALENDF-2005
Wonder 2006
- JC 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

11. HARDWARE REQUIREMENTS - Around 300 Mb of disk space and a few Mb of computer memory at run time.

NEA-1278/04:

Tested at the CEA on the following platforms:
- SUNBlade 2500 1.6 GHz, Solaris 10 Sparc and Studio 10 Fortran 77/95 Compiler
- IBM 44-P 375 MHz, AIX 4.3 and Xlf Fortran Compiler 7.1
- SUN Ultra 20 AMD 64 2.2 GHZ, Solaris 10 i86 and Studio ll Fortran 77/95 Compiler
- Pentium M 1.7 GHz, Linux Fedora Core 3 release 2.6.12 and Lahey/Futjitsu Fortran 95 Release L6.20d
- PowerBook G4,Os X 10.4.6 and g95 4.01 Jan 2006
- MacBook lntel Core Duo, 0s 10.4.8 and Intel Fortran Compiler v.9.1
- Pentium M 1.7 GHz, Window XP and Lahey/Futjitsu Fortran 95 Release 5.7

Tested at the NEA Data Bank on PC with 3GHz INTEL Pentium 4 RAM 1Gb:
- WINDOWS XP Professional SP3, Lahey/Fujitsu R.5.50d compiler
- SUSE linux 9.2 kernel 2.6.8, Lahey/Fujitsu PRO V.6.1 compiler

12. PROGRAMMING LANGUAGE(S) USED -
NEA-1278/04: FORTRAN-90 FORTRAN-95

13. SOFTWARE REQUIREMENTS -

14. OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS -
Fortran compiler FFLAGS for normal, full debugging and fast execution are provided for each compiler and platforms. Older Fortran compiler releases, on all platforms, are generally not supported.

15. NAME AND ESTABLISHMENT OF AUTHORS -
Dr Pierre Ribon
57 E les Monts Lories
91440 Bures Sur Yvette, France

Dr Jean-Christophe Sublet
CEA, DEN/DER/SPRC
13108 Saint Paul lez Durance Cedex, France

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

16. MATERIAL AVAILABLE -
NEA-1278/04:
  The CALENDF directory
README      Readme file
/Src        Source code directory
/Src/README      Execution instruction (NEEDS TO BE READ)
/Src/Makefile    The file needed to compile CALENDF and create the executable
xcalendf
/Src/Makeliste   c-shell make ( > h ) output
/Src/*.f         Calendf source code
/Src/xcalendf    Calendf executable (Sun Solaris)
system dependent sub-directories:
/Src/Ibm       IBM AIX
/Src/Sun       Sun Solaris Sparc
/Src/Linux     Red Hat Linux
/Src/Sun-i86   Sun Solaris i86
/Src/OsX       Apple PowerPC
/Src/OsX-Intel Apple Intel
/IQAcal     Test cases directory
/IQAcal/Runtest     Unix script to run all test cases
/IQAcal/in* * * *   CALENDF input data
/Docs       Documentation directory
/Docs/CALENDF_2005_manual.pdf
/Docs/CEA-R6100-ECCOLIB-JEFF-3.1.pdf
/Docs/ND-2001.pdf
/Docs/TRIPOLI441-JEFF-31.pdf
/Docs/Wonder-2006.pdf
/Util       Utility codes directory
/Util/Ecco  library interface
/Util/Merge NJOY-GENDF and probability tables (MF-50)

  The CALENDF-2005 Windows directory
README      Readme file
xcalendf    Calendf executable
xcalendfg   Calendf executable (degug mode)
xcalendff   Calendf executable (fast mode)
/Src        Source code directory
/Src/README      Execution instruction (NEEDS TO BE READ)
/Src/make        The batch file needed to compile CALENDF and create the
executable xcalendf
/Src/Makeliste   make output
/Src/*.for       Calendf source code
/Src/xcalendf    Calendf executable (Windows XPI)
/IQAcal     Test cases directory
/IQAcal/Runtest     Batch file to run all test cases
/IQAcal/in* * * *   CALENDF input files
/Docs       Documentation directory
/Docs/CALENDF_2005_manual.pdf
/Docs/CEA-R6100-ECCOLIB-JEFF-3.1.pdf
/Docs/ND-2001.pdf
/Docs/TRIPOLI441-JEFF-31.pdf
/Docs/Wonder-2006.pdf

17. CATEGORIES -

- A. Cross Section and Resonance Integral Calculations
- B. Spectrum Calculations, Generation of Group Constants and Cell Problems

Keywords: DATA PROCESSING, DOPPLER BROADENING, ENDF/B, EPITHERMAL NEUTRONS, GAUSS QUADRATURE, INTERPOLATION, MONTE CARLO METHOD, MULTIGROUP, NEUTRON CROSS SECTIONS, PORTER-THOMAS DISTRIBUTION, PROBABILITY, R MATRIX, RANDOM NUMBER GENERATORS, REICH-MOORE FORMULA, RESONANCE, SELF-SHIELDING, UNRESOLVED REGION