NEA-1278 CALENDF-2010.

1. NAME OR DESIGNATION OF PROGRAM:  CALENDF-2010.

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.

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.

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.

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.

7. UNUSUAL FEATURES

- Systematic use of Pade approximant and Gauss quadratures.
- Cubic interpolation.
- Unresolved resonance range interpretation.

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).

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.

- 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.
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

CALENDF-2005 was 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

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.

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

/Unix-2005   CALENDF for Unix directory
README       Readme file
/Src         Source code directory
/Src/README   Execution instruction (NEEDS TO BE READ)
/Src/Makefile 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)
  
/Wind-2005  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   Batch file needed to compile CALENDF and create 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