NJOY2012 21 December 2012 ------------------------------------------------------------------------- Contents ------------------------- Seach down for <> <> <> <> <> <> <> <> <> <> The NJOY Nuclear Data Processing System is a modular computer code used for converting evaluated nuclear data in the ENDF format into libraries useful for applications calculations. Because the Evaluated Nuclear Data File (ENDF) format is used all around the world, NJOY gives its users access to a wide variety of the most up-to-date nuclear data. NJOY provides comprehensive capabilities for processing evaluated data, and it can serve applications ranging from continuous-energy Monte Carlo (MCNP), through deterministic transport codes (PARTISN, ANISN, DORT), to reactor lattice codes (WIMS, EPRI). The modular nature of NJOY makes it easier to add output for other kinds of application libraries or to add new computational features. NJOY handles a wide variety of nuclear effects, including resonances, Doppler broadening, heating (KERMA), radiation damage, thermal scattering (even cold moderators), gas production, neutrons and charged particles, photoatomic interactions, photonuclear reactions, self shielding, probability tables, photon production, and high-energy interactions (to 150 MeV or more). Output can include printed listings, special library files for applications, and Postscript graphics (plus color). <> NJOY2012 is a Fortran-90/95 implementation of the NJOY Nuclear Data Processing System. It uses formal F90 modules to encapsulate the NJOY processing modules, and it uses additional F90 modules to provide various service functions, for example, ENDF routines, physics constants, math routines, and graphics routines. Common blocks have been eliminated in favor of global variables packaged in the modules. Memory use is now handled using F90 allocatable arrays in place of the container-array methods used by NJOY99. Word length is now handled by F90 methods, eliminating the complexities of handling short-word and long-word options. Extensive use is made of block structures, although some statement numbers still survive. NJOY2012 implements all the capabilities of NJOY99 with all published updates. It includes some new capabilities installed to handle the Reich-Moore-Limited resonance format now allowed in ENDF evaluations. These include resonance reconstruction for pointwise cross sections (in RECONR) and derivatives of the cross sections with respect to resonance parameters for covariance calculations (in ERRORR). There is also a partially implemented capability to generate angular distributions from resonance parameters (in RECONR). Code maintenance is based on unix methods. A new version of the UPD code is included. It can be used much like the UPD code in NJOY99, but it also has additional capabilities. It allows coding to be altered using a text editor. It can then use differencing methods to generate an update set to represent the changes. The NJOY User Manual is in LaTeX format, and the UPD approach is also used to maintain it. Code updates can thus include both changes to the code and the corresponding changes to the manual in the same package. This should help to keep the code and its documentation in step. The makefiles in the code package handle both code regeneration and manual regeneration for each update. <> The formal user's manual for NJOY2012 is included with the distribution as a PDF generated using LaTeX. For an alternative description of NJOY2012 and its application for processing ENDF/B-VII, see the report "Methods for Processing ENDF/B-VII with NJOY" under the "Publication area", or refer to the December 2010 issue of Nuclear Data Sheets. For a tutorial on using NJOY, go to the LANL T-2 web site, http://t2.lanl.gov, and follow links to the Nuclear Information Service (NIS), "Training Area" and "NJOY". <> The distribution files for NJOY2012 are as follows: Readme0 this information file Userinp.0 text file of NJOY input instructions src upd source file (contains *deck cards) up0 upd directives input file for 2012.0 makef.int makefile for Intel ifort on unix-type systems (Mac, linux) makef.g95 makefile for the free g95 compiler on unix-type systems makef.gfn makefile for the GFortran compiler on linux systems makef.win.g95 Windows makefile for use with g95 (used with NMAKE) makef.win.ifort Windows makefile for use with the Intel ifort compiler (used with NMAKE) makeNJOY.win1.bat Windows batch script that controls creation of the new NJOY2012 executable and manual makeNJOY.win2.bat a second sample Windows batch script that also save various intermediate files upd.f90 version-control code for updating NJOY gam23 input data for test problem gam27 input data for test problem t322 input data for test problem t404 input data for test problem t511 input data for test problem eni61 input data for test problem epn14 input data for test problem e6pu241c input data for test problem DCf252 input data for test problem J33Pu239 input data for test problem J33U235 input data for test problem J33U238 input data for test problem cl35rml input data for test problem Ifiles.0 CCCC interface file formats used by NJOY figs/ directory of figures for the report test/ unix scripts to run a suite of 20 test problems test_win/ batch scripts and test input files used on Windows platforms test_out/ various output files from a suite of 20 test problems (from Windows with ifort) NJOY2012.0.pdf The NJOY2012.0 report LA-UR-12-27079 <> make sure the following files are present in your NJOY directory: upd.f90 src makef.g95 (or another choice) up0 copy makef.g95 Makefile adjust the options for the compiler desired in Makefile using #s make upd copy up0 upn edit up0 in upn to set the lab and mx strings for your site upd x make The result should be a lot of module.f90, module.mod, and module.o files. The executible will be xnjoy. There will also be many *.tex files and a final report as njoy2012.pdf. optionally, run "upd l" to get listings with line labels. mkdir test move the test/inXX files to test cd test sh in01 sh in02 etc. compare the results with the output files in the distribution or the output files on our web site; go to http://t2.lanl.gov and follow links to the "Nuclear Information Service", "Codes area" and "NJOY 2012". <> Windows users will follow essentially the same steps as outlined above. We have used the Microsoft "NMAKE" program to create the NJOY2012 executable in 32-bit Windows XP and 64-bit Windows 7 environments. Scripts that use the g95 (makef.win.g95) and Intel (makefile.ifort_01) compilers are provided. Two batch files that control the complete NJOY2012 creation process are also included. These batch files currently use the "makefile.ifort_o1" file but are easily adapted to use the g95 file or any other file created by the end-user. The expected file location and sub- directory structure needed to execute these scripts is described in the included comments. Users who only need a new executable file and updated manual should use the "win1" batch file; users who would like to have copies of the intermediate *.f90, *.lst and *.tex files created during execution of these batch files should use the "win2" file. A separate directory, win_test, is also included in this distri- bution with batch scripts and input files used the run a suite of 20 test problems. End-users will need adapt these scripts to the specific directory/sub-directory structure that exists on their platform, or review the comments embedded within these scripts to create the appropriate test directories. <> When a new update patch is issued on the NJOY2012 web site, it will be named upXX, and it will advance the name of the code to NJOY12.XX. To patch your code unix users will: download upXX from the web site cp upXX to upn edit your lab and mx strings upd x make Only the files that were changed in the update will be recompiled. The xnjoy and njoy12.pdf files will be reconstructed. There will normally be a ReadmeXX file that will contain comments about all the patches to date. optionally, run "upd l" to get listings with line labels. Variations: to assemble xnjoy without making the report, use "make njoy". To assemble the report without making NJOY, use "make report". For more advanced things that upd can do, see the documentation. Windows users follow similar steps, using the appropriate commands that mimic the unix calls (i.e., "copy upXX upn" in lieu of "cp upXX to upn"). <> An extensive set of test problems is provided with NJOY2012, both to check an installation, and to provide examples of how to use NJOY. In order to provide continuity to earlier versions, we still use fairly old ENDF/B-III, -IV, and -V files for many of these tests. They also tend to have less detail than the newer ENDF/B-VII files, which makes the test problems run faster. Simple unix scripts or DOS batch files make it fairly easy to run the test problems. Problem 1: This one runs on carbon to check RECONR for materials with no resonance parameters, to do Doppler broadening to 300K, to calculate heating KERMA and radiation damage, and to calculate the thermal scattering from graphite. The pointwise (PENDF) results are converted into multigroup form. The important things to look at are the various counts in RECONR and the multigroup values from GROUPR on the file "out01". To see even more detail, check the PENDF file "pend01". Problem 2: This is a demonstration of preparing a library for LMFBR applications using methods active in the 80's. It is still useful for checking RECONR resonance reconstruction, Doppler broadening to more than one temperature, the generation of unresolved resonance data, and multigroup averaging with self shielding. The CCCC output provides an alternative look at the cross sections and group-to-group matrices. Pay attention to the output from RECONR to see if the same number of resonance points are produced. Note the number of points at each temperature and the thermal quantities printed by BROADR. The unresolved self shielding shows up in the UNRESR output and again in GROUPR and CCCCR. The multigroup constants printed on "out02" provide plenty of opportunities to check your installation. For even more detail, check the PENDF file on "pend02". Problem 3: This one demonstrates processing photoatomic data and the use of MATXS output files. Newer versions of the photoatomic data are all on one file, rather than the two shown here. Note that two materials are processed to show the limiting behaviors. The multigroup constants printed by GAMINR on "out03" can be checked. Two different output formats are generated: the DTF format and the MATXS format. The DTFR numbers are given on the listing. DTFR also generates Postscript plots of its results; here the Postscript file has been converted PDF format for easy viewing. Problem 4: This test problem computes cross section covariances using the ERRORR module for U-235 from ENDF/B-V. The performance of ERRORR can be tested by looking at the values on "out04". Problem 5: This one demonstrates formatting covariance data using our "boxer" format, and it generates detailed Postscript plots (in color) of the variances and correlations. The PS file has been converted to PDF form for easy viewing. Problem 6: This case demonstrates and tests some of the features of the PLOTR and VIEWR modules. The output file is not very interesting, and we don't provide it. Look at "plot06.pdf" for the results. Problem 7: This example demonstrates the production of a library for the MCNP continuous-energy Monte Carlo code for Pu-238 from ENDF/B-IV. Older versions of MCNP required a set of multigroup photon production tables to construct the 30x20 grid of photon emission bins used in those days. This problem demonstrates how that was done, but the method is rarely needed these days. Still, these results provide another useful set of tests for your installation. The most interesting numbers are those in the ACER output on "out07". It is difficult to use tools like "diff" to compare such outputs unless the energy grids are exactly the same, but diff may work for you. We provide both the PENDF on "pend07" and the ACE file on "ace07" to allow for very detailed checks. Problem 8: This case was added to check the processing of a typical ENDF/B-VI material using Reich-Moore resonances and File 6 for energy-angle distributions. Pay special attention to the resonance results as shown by the counts on the RECONR listing and the values on the PENDF and ACE files (pend08 and ace08). In addition, check the energy-angle distributions as printed out by ACER on "out08". Problem 9: This one demonstrates the use of LEAPR to generate a scattering kernel for water. We have used the ENDF physics model, but we reduced the alpha and beta ranges to make the case run faster with less output. Note that RECONR and BROADR are run to prepare a base for the thermal data at 296K. THERMR was run with its long printout option to provide plenty of numbers on "out09" for comparisons. For additional details, look at the actual LEAPR output on "pend09". Problem 10: This sample problem demonstrates the production of unresolved resonance probability tables for MCNP. We run both UNRESR and PURR using the same sigma0 grid to allow additional checks of both modules and to allow for comparisons between the deterministic and probabilistic approaches to computing Bondarenko cross sections. We provide the output listing on "out10", the PENDF file on "pend10", and the ACE file on "ace10". Lots of results to check. Problem 11: This one demonstrates the production of a library for the WIMS reactor lattice code using Pu-238 from ENDF/B-IV. Check both GROUPR output and WIMSR output on "out11". The WIMS library file produced is provided on "wims11". Problem 12: This one shows how the gas production capability works with Ni-61 from ENDF/B-VI. To see the detailed results for gas production, look for MT=203 and 207 in File 3 of the PENDF tape "pend12". Also, check out the color plots of resonance cross sections and gas production cross sections on "plot12.pdf". Problem 13: This case demonstrates the modern MCNP formats using Ni-61 from ENDF/B-VI. Note that acer is run twice, once to prepare the ACE file, and again to do consistency checking and to prepare detailed color plots (see plot13.pdf). Problem 14: This problem was developed to demonstrate ACE incident proton data and the MCNPX charged-particle format. Once again, two acer runs are used to do checks and prepare color plots. Problem 15: This problem demonstrates advanced covariance processing using U-238 from JENDL-3.3. Covariances from resonance parameters are included. Multiple errorr, covr, groupr, and viewr runs are stacked together in order to generate covariances for the multigroup nubar (see plot15-31.pdf), the multigroup cross sections (see plot15-33.pdf), and for the elastic angular P1 angular coefficient (see plot15-34.pdf). The script is complicated, but it is nice to get all the results in one run. Problem 16: This problem is simlar to 15, except it omits the groupr module, demonstrating that covariances can be calculated directly from PENDF data. It also demonstrates some advanced plotting techniques. Problem 17: This problem uses U-235, U-238, and Pu-239 from JENDL-3.3 in order to demonstrate cross-material covariances. This run is pretty slow. Problem 18: This problem demonstrates covariance processing for a secondary energy distribution. An artificial version of Cf-252 was prepared, and the spontaneous fission spectrum covariances were produced. Problem 19: This case is for a more modern actinide evaluation, Pu-241 from ENDF/B-VI. Problem 20: This test case uses ENDF/B-VII.1 evaluation for Cl-35, which uses the advanced Reich-Moore-Limited format for the resonances. This allows more complex covariances to be represented. In this case, covariances involving the (n,p) reaction are calculated (see plot20.pdf).