NJOY2016 Test Descriptions

Test 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 output file. To see even more detail, check the reference PENDF file.

Test 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 the output file provide plenty of opportunities to check your installation. For even more detail, check the reference PENDF file.

Test 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 the output file 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; the Postscript file has been converted to PDF format for easy viewing.

Test Problem 4

This test problem computes cross section covariances using the ERRORR module for ²³⁵U from ENDF/B-V. The performance of ERRORR can be tested by looking at the values on the output file.

Test Problem 5

This one demonstrates formatting covariance data using our “boxer” format, and it generates detailed Postscript plots of the variances and correlations. The Postscript file has been converted to PDF form for easy viewing.

Test Problem 6

This case demonstrates and tests some of the features of the PLOTR and VIEWR modules. The output file is not very interesting. Look at PDF for the results.

Test Problem 7

This example demonstrates the production of a library for the MCNP continuous-energy Monte Carlo code for ²³⁸Pu 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 file. We provide both the PENDF file and the ACE file to allow for very detailed checks.

Test 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. In addition, check the energy-angle distributions as printed out by ACER on the ACE file.

Test 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 the output file for comparisons. For additional details, look at the actual LEAPR output.

Test 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, the PENDF file, and the ACE file. Lots of results to check.

Test Problem 11

This one demonstrates the production of a library for the WIMS reactor lattice code using ²³⁸Pu from ENDF/B-IV. Check both GROUPR output and WIMSR in the output file. The WIMS library file produced is also provided.

Test Problem 12

This one shows how the gas production capability works with ⁶¹Ni 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. Also, check out the plots of resonance cross sections and gas production cross sections.

Test Problem 13

This case demonstrates the modern MCNP formats using ⁶¹Ni 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 plots.

Test 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 plots.

Test Problem 15

This problem demonstrates advanced covariance processing using ²³⁸U 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 reference plot 45), the multigroup cross sections (see reference plot 46), and for the elastic angular P1 angular coefficient (see reference plot 47). The script is complicated, but it is nice to get all the results in one run.

Test Problem 16

This problem is similar 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.

Test Problem 17

This problem uses ²³⁵U, ²³⁸U, and ²³⁹Pu from JENDL-3.3 in order to demonstrate cross-material covariances. This run is pretty slow.

Test Problem 18

This problem demonstrates covariance processing for a secondary energy distribution. An artificial version of ²⁵²Cf was prepared, and the spontaneous fission spectrum covariances were produced.

Test Problem 19

This case is for a more modern actinide evaluation, ²⁴¹Pu from ENDF/B-VI.

Test Problem 20

This test case uses a preliminary ENDF/B-VII.1 evaluation for ³⁵Cl, 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.

Test Problem 21

This test case was developed to check if NaNs were “calculated” in PURR. This problem was discovered by Dave Brown and Paul Romano and was fixed in Pull Request 18. This test was created in an attempt to prevent this from happening again. (No guarantees.)

Test Problem 22

This test is the LEAPR input for para H2 at 20 K from ENDF/B-VIII.0-beta4. The test checks the compatibility between the skold and coldh subroutines.

Test Problem 23

This test is the LEAPR input for BeO from ENDF/B-VI.8. The test checks the ability to process materials with secondary scatterers.

Test Problem 24

This test is essentially a standard NJOY input file for producing a continuous energy ACE file for Pu239 (it should be noted that UNRESR and PURR are omitted from this input file due to runtime constraints). The Pu239 evaluation associated to this test contains tabulated fission energy components in MF1 MT458 (a new format made available for ENDF/B-VIII.0). This test was designed to test this new feature in HEATR. This test also runs a double heatr run to detect the issue of reallocating arrays in a double heatr run encountered with NJOY 2016.21.

Test Problem 25

This test is essentially a standard NJOY input file for producing continuous energy thermal scattering ACE files for H in H2O. This test produces three ACE files, one for each iwt option value in ACER. This test is made in preparation of a fix proposed by D. Roubtsov to solve issues with cosines outside the [-1,1] range produced by ACER for thermal scattering files.

Test Problem 26

This test is used to check heatr results using an ENDF file without an MT458 section (fission energy release components) in MF1. This test was added in response to an issue introduced in NJOY 2016.21 involving such ENDF files.

Test Problem 27

This test is used to complete testing for the ERRORR module when processing MF35 covariances. Test 18 already has a test for this, but it uses an evaluation with a single covariance energy range (between 0 and 20 MeV). This test uses a Pu239 evaluation in which MF35 is composed of multiple covariance ranges. ERRORR is called twice in this run, once for the second range (between 5 and 6.5 MeV) and a second time using the -1 option with an efmean equal to 5.75 MeV (which should also be the second range). Both ERRORR runs should give the same results.

Test Problem 28

This test is used to test some of the options available to users when processing continuous energy data (iopt=1). There are currently three options (all defaulted to 1) concerning the user of law 61, whether or not detailed photons should be used and whether or not delayed neutron distributions should be smoothed to lower energies. The test consists of running ACER three times: once with the options defaulted, once with all options set to 1 explicitly and once with all options set to 0 explicitly. The first two ACE files should be identical.

Test Problem 29

This test is similar to test 28, but this one is for the smoothing option in GROUPR. The test consists of running GROUPR three times: once with the default smoothing option, once with the option set to 1 explicitly and once with the option set to 0 explicitly. The first two GENDF files should be identical.

Test Problem 30

This test is an addition to test 3 using MATXSR. While test 3 only uses photons, test 30 uses both neutrons and photons.

Test Problem 31

This test runs PURR for Pu240 from ENDF/B-VIII.0. This evaluation is one of the few that still gave negative cross sections in the probability tables for ENDF/B-VIII.0. In most cases, this behaviour is due to the fact that the original evaluation has an LSSF flag of 0 (MF3 contains background cross sections) and those background cross sections in the unresolved resonance region are negative (an example would be Na22). In the case of Pu240 however, the LSSF flag is set to 1 (MF3 contains the actual cross sections and the unresolved resonances should only be used for self-shielding). The negative cross section values in the probability table for this nuclide were due to the fact that the total cross section was actually lower than its components.

Test Problem 32

This test runs THERMR for each formatting option available for thermal scattering, being (E, E’, μ) or (E, μ, E’).

Test Problem 33

This test runs LEAPR for D(D2O) and O(D2O) from ENDF/B-VIII.0 at 283.0 K. These evaluations include the Skold approximation, which in the past had conflicts with the COLDH subroutine. The test also checks the capacity of running several instances of LEAPR in the same input file.

Test Problem 34

This test is added following a problem encountered when running ERRORR using a binary input ENDF and GENDF file. The ERRORR run crashed with a segmentation fault prior to NJOY 2016.34.

Test Problem 35-42

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Tests 35 to 42 were added to test the inelastic and absorption competition flags determined by PURR and used in ACER to be included in ACE files. Previous versions of NJOY 2016 (prior to 2016.30) incorrectly handled these flags. NJOY only tested competition up to MT102 (neutron capture) and explicitly omitted checking reactions like MT103 (n,p) or MT107 (n,a). As a result, for some nuclides NJOY did not capture the competition flags properly, leading MCNP or other codes using probability tables to incorrectly calculate the total cross section in the unresolved resonance region.

The tests cover all possible combinations of the competition flags (no competition, only inelastic competition, only absorption competition and both) for each possible value of the LSSF flag (0 or 1). These tests are related to test 31.

Test Problem 43-44

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Tests 43 and 44 were added to test an issue encountered when using BROADR. A high value of thnmax close to the upper energy value of the energy range lead to BROADR crashing. This appeared to happen when the actual temperature was zero (in that case, broadr will only thin the cross sections) and non zero (in which case broadr will apply broadening). Both cases needed their own fix so a specific test for each was added to detect this problem in the future.

Test Problem 45

This test was added following an issue identified in GASPR concerning the charged particle production cross sections when the original ENDF tape does not contain the summation cross section when individual levels are present. This lead to double counting of these levels. This test was added to detect this problem in the future.

Test Problem 46

This test was added following a fix in ERRORR. NJOY set the number of subsections to be treated for MF34 to 1, even though the ENDF-6 format allows using more than 1 subsection in MF34. This test was added to detect this problem in the future.

Test Problem 47

This test is added following a change in GROUPR for the MF6 MT18 part of the GENDF file. Versions prior to NJOY 2016.49 only gave the infinite dilute fission matrix, independent of the number of sigma0 values requested by the user. This test runs two GROUPR runs, one with only infinite dilute and another one with two sigma0 values (including infinite dilute). The test also contains ERRORR runs for MF35 covariances to verify that the ERRORR module still gives the same results (only infinite dilute data is used) when using either of the produced GENDF files.

Test Problem 48

This test is added following issues in processing photoatomic data in ACER (see issues #91 and #135). The problems were caused by truncation to 7 significant digits (knowing that the ENDF/B-VIII.0 files often go to 9 significant digits) and array sizes that were too small for the current data. This test was added to detect this problem in the future.

Test Problem 49

This test is added following the change in how additional za values are handled in ACER. Previously, only 3 were allowed even though thermal scattering ACE file sometimes need more of them (e.g. Zr in ZrH). The user can now specify up to 16 values (the actual number of za values that the ACE file can store). The changes were made to be backwards compatible (test 25 ensures this).

Test Problem 50-54

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These tests were added following issue #138 in which a charged particle ACE file is produced with NaN values due to an error in the Coulomb elastic scattering cross section for identical particles. These 5 tests cover most of the different possibilities we may encounter:

test 50: LAW=5 LTP=12 for identical particles with a spin s = 0 (this file produces NaN values)
test 51: LAW=5 LTP=12 for different particles (as expected, this remains the same before and after the fix)
test 52: LAW=5 LTP=1 for identical particles with a spin s = 0.5 (as expected, this remains the same before and after the fix)
test 53: LAW=5 LTP=1 for identical particles with a spin s = 1 (this changes due to the fix but the original file does no have NaN values, as expected)
test 54: LAW=5 LTP=1 for different particles (as expected, this remains the same before and after the fix)

Test Problem 55

This test relates to changes made to an ACE file by the consistency checks when a checker ACER run is requested. NJOY only rarely modifies data. It does so for secondary particle distributions that use LAW=4 (isotropic angular distribution and continuous tabulated energy distributions) or LAW=44 (Kalbach-Mann). Under some circumstances, these changes used to introduce peaks in the data that obscured the plots.

Test Problem 56-58

This test is added following issues in processing photonuclear data in ACER. These test uses the ENDF/B-VIII.0 photonuclear evaluation for U235 and Pb209, and the IAEA photonuclear evaluation for Co59.

Test Problem 59

This test is added following an issue in MODER converting MF28 data (atomic relaxation data) (see issue #162). Conversion of MF28 data was not coded. This test verifies that the conversion to and from binary produces the same file, and that the conversion to binary still allows the data to be used (in ACER in this test). Test 48 served as a basis for this test.

Test Problem 60

This test was added to following issue #124 following processing issues using IRDFF-II ENDF files.

Test Problem 61

This test was added to following issue #163. Whenever an ACER check run changed the library suffix, it was ignored. This has been fixed now and this test was added to validate the fix.

Test Problem 62

This test was added to following issue #173. For a new d+He3 evaluation, the ACE file produced by NJOY2016 still has a few NaN values appearing in it. This problem was due to an array index overflow in acecpe.

Test Problem 63

Tests 63 was added as a consequence of issue #178. It verifies that setting nunx in PURR to anything other than the default value does not break downstream processing (in this case up to ACER and VIEWR). The input file is equivalent to the input file for test 35 (with the exception of nunx which is set to 2).

Test Problem 64

Tests 64 was added as a consequence of issue #201. Incorrect skipping of MF6 subsections with LAW=4 caused a reaction count issue for the secondary particles, resulting in a corrupt ACE file.

Test Problem 65

Tests 65 was added as a consequence of issue #122 and #203. When using an MF34 with multiple subsubsections, the calculation now runs to completion.

Test Problem 66

Tests 66 was added as a consequence of issue #214. It verifies that the yield (and production cross section) for secondary neutrons produced after photo-fission is equal to nubar when the evaluation uses an MF6/MT18 section for the PFNS in which the neutron yield is set to 1 instead of nubar.

Test Problem 67-70

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Tests 67-69 were added to test the new mixed mode elastic scattering processing for thermal scattering data in THERMR and ACER, which is going to be introduced in ENDF/B-VIII.1. The tests cover the following:

test 67: inelastic plus mixed mode elastic (D in 7LiD, new format in ENDF/B-VIII.1)
test 68: inelastic only (H in H2O)
test 69: inelastic plus incoherent elastic (Zr in ZrH)
test 70: inelastic plus coherent elastic (Al27)

Test Problem 71

Tests 71 was added as a consequence of issue #184 and #223. It verifies that MT11 is now properly included in charged particle processing.

Test Problem 72

Tests 72 was added as a consequence of issue #188. It verifies that MF6 LAW=7 data for outgoing particles added to the DLWH block is added to an ACE file correctly.

Test Problem 73

Tests 73 was added as a consequence of issue #241. It verifies that GROUPR automated processing of MF10 for an evaluation with subactinide fission functions properly.

Test Problem 74

Tests 74 was added to track an issue found in ACER while calculating inelastic thermal scattering mubar for IFENG=2 ACE files. This is a test for H in ZrH and is similar to test 69 (test 69 is for Zr in ZrH and is an IFENG=1 file).

Test Problem 75

Tests 75 was added to track an issue found in ACER when multiple temperatures were present in the PENDF file. See issue #250 for more information.

Test Problem 76

Tests 76 was added to track a few CCCCR issues. Unfortunately, these issues were related to a binary file so we cannot verify the content of the file just yet. At the very least, we now have a test to verify if CCCCR actually runs (there was previously a crash on this input).