llnl · gardner48 · Jul 12, 2025 · Jul 12, 2025 · Jul 12, 2025 · Jul 12, 2025
@@ -6,11 +6,31 @@
 
 ### New Features and Enhancements
 
+Added functions to CVODE(S) and IDA(S) to set the maximum number of inequality
+constraint failures in a step attempt (`CVodeSetMaxNumConstraintFails` and
+`IDASetMaxNumConstraintFails`) and to retrieve the total number of failed step
+attempts due to an inequality constraint violation (`CVodeGetNumConstraintFails`
+and `IDAGetNumConstraintFails`). As a result, constraint failures are no longer
+included in the number of step failures due to a solver failure (i.e., the
+values returned by `CVodeGetNumStepSolveFails` and `IDAGetNumStepSolveFails`).
+The functions `CVodeGetNumConstraintCorrections` and
+`IDAGetNumConstraintCorrections` were also added to retrieve the number of steps
+where the corrector was modified to satisfy an inequality constraint without
+failing the step.
+
 The functions `CVodeGetUserDataB` and `IDAGetUserDataB` were added to CVODES
 and IDAS, respectively.
 
 ### Bug Fixes
 
+Fixed a bug in the CVODE(S) inequality constraint handling where the predicted
+state was used to compute the step size reduction factor which could lead to an
+insufficient reduction in the step size or, when the prediction violates the
+constraints, an infinitely large step size in the next step attempt.
+
+In CVODES and IDA, added missing return flag names to `CVodeGetReturnFlagName`
+and `IDAGetReturnFlagName`, respectively.
+
 On the initial time step with a user-supplied initial step size, ARKODE and
 CVODE(S) will now return `ARK_TOO_CLOSE` or `CV_TOO_CLOSE`, respectively,
 when the requested output time is the same as the initial time (or within
@@ -44,19 +64,21 @@ called even when informational logging was disabled.
 
 ### Deprecation Notices
 
-`SUNDIALSFileOpen` and `SUNDIALSFileClose` will be removed in the next major release. 
-Use `SUNFileOpen` and `SUNFileClose` instead.
+`SUNDIALSFileOpen` and `SUNDIALSFileClose` will be removed in the next major
+release.  Use `SUNFileOpen` and `SUNFileClose` instead.
 
-The `Convert` methods on the `sundials::kokkos:Vector`, `sundials::kokkos::DenseMatrix`,
-`sundials::ginkgo::Matrix`, `sundials::ginkgo::BatchMatrix`, `sundials::kokkos::DenseLinearSolver`,
-`sundials::ginkgo::LinearSolver`, and `sundials::ginkgo::BatchLinearSolver` classes have
-been deprecated and will be removed in the next major release. The method `get`, should
-be used instead.
+The `Convert` methods on the `sundials::kokkos:Vector`,
+`sundials::kokkos::DenseMatrix`, `sundials::ginkgo::Matrix`,
+`sundials::ginkgo::BatchMatrix`, `sundials::kokkos::DenseLinearSolver`,
+`sundials::ginkgo::LinearSolver`, and `sundials::ginkgo::BatchLinearSolver`
+classes have been deprecated and will be removed in the next major release. The
+method `get`, should be used instead.
 
-The `CSC_MAT` and `CSR_MAT` macros defined in `sunmatrix_sparse.h` will be removed in
-the next major release. Use `SUN_CSC_MAT` and `SUN_CSR_MAT` instead.
+The `CSC_MAT` and `CSR_MAT` macros defined in `sunmatrix_sparse.h` will be
+removed in the next major release. Use `SUN_CSC_MAT` and `SUN_CSR_MAT` instead.
 
-The `N_Vector_S` typedef to `N_Vector*` is deprecated and will be removed in the next major release.
+The `N_Vector_S` typedef to `N_Vector*` is deprecated and will be removed in the
+next major release.
 
 ## Changes to SUNDIALS in release 7.5.0
 

@@ -5,11 +5,34 @@
 
 **New Features and Enhancements**
 
+Added functions to CVODE(S) and IDA(S) to set the maximum number of inequality
+constraint failures in a step attempt (:c:func:`CVodeSetMaxNumConstraintFails`
+and :c:func:`IDASetMaxNumConstraintFails`) and to retrieve the total number of
+failed step attempts due to an inequality constraint violation
+(:c:func:`CVodeGetNumConstraintFails` and
+:c:func:`IDAGetNumConstraintFails`). As a result, constraint failures are no
+longer included in the number of step failures due to a solver failure (i.e.,
+the values returned by :c:func:`CVodeGetNumStepSolveFails` and
+:c:func:`IDAGetNumStepSolveFails`). The functions
+:c:func:`CVodeGetNumConstraintCorrections` and
+:c:func:`IDAGetNumConstraintCorrections` were also added to retrieve the number
+of steps where the corrector was modified to satisfy an inequality constraint
+without failing the step.
+
 The functions ``CVodeGetUserDataB`` and ``IDAGetUserDataB`` were added to CVODES
 and IDAS, respectively.
 
 **Bug Fixes**
 
+Fixed a bug in the CVODE(S) inequality constraint handling where the predicted
+state was used to compute the step size reduction factor which could lead to an
+insufficient reduction in the step size or, when the prediction violates the
+constraints, an infinitely large step size in the next step attempt.
+
+In CVODES and IDA, added missing return flag names to
+:c:func:`CVodeGetReturnFlagName` and :c:func:`IDAGetReturnFlagName`,
+respectively.
+
 On the initial time step with a user-supplied initial step size, ARKODE and
 CVODE(S) will now return ``ARK_TOO_CLOSE`` or ``CV_TOO_CLOSE``, respectively,
 when the requested output time is the same as the initial time (or within
@@ -43,16 +66,19 @@ called even when informational logging was disabled.
 
 **Deprecation Notices**
 
-``SUNDIALSFileOpen`` and ``SUNDIALSFileClose`` will be removed in the next major release. 
-Use :c:func:`SUNFileOpen` and :c:func:`SUNFileClose` instead.
+``SUNDIALSFileOpen`` and ``SUNDIALSFileClose`` will be removed in the next major
+release.  Use :c:func:`SUNFileOpen` and :c:func:`SUNFileClose` instead.
 
-The ``Convert`` methods on the ``sundials::kokkos:Vector``, ``sundials::kokkos::DenseMatrix``,
-``sundials::ginkgo::Matrix``, ``sundials::ginkgo::BatchMatrix``, ``sundials::kokkos::DenseLinearSolver``,
-``sundials::ginkgo::LinearSolver``, and ``sundials::ginkgo::BatchLinearSolver`` classes have
-been deprecated and will be removed in the next major release. The method ``get``, should
-be used instead.
+The ``Convert`` methods on the ``sundials::kokkos:Vector``,
+``sundials::kokkos::DenseMatrix``, ``sundials::ginkgo::Matrix``,
+``sundials::ginkgo::BatchMatrix``, ``sundials::kokkos::DenseLinearSolver``,
+``sundials::ginkgo::LinearSolver``, and ``sundials::ginkgo::BatchLinearSolver``
+classes have been deprecated and will be removed in the next major release. The
+method ``get``, should be used instead.
 
-The ``CSC_MAT`` and ``CSR_MAT`` macros defined in ``sunmatrix_sparse.h`` will be removed in
-the next major release. Use ``SUN_CSC_MAT`` and ``SUN_CSR_MAT`` instead.
+The ``CSC_MAT`` and ``CSR_MAT`` macros defined in ``sunmatrix_sparse.h`` will be
+removed in the next major release. Use ``SUN_CSC_MAT`` and ``SUN_CSR_MAT``
+instead.
 
-The ``N_Vector_S`` typedef to ``N_Vector*`` is deprecated and will be removed in the next major release.
+The ``N_Vector_S`` typedef to ``N_Vector*`` is deprecated and will be removed in
+the next major release.
@@ -12,30 +12,32 @@
  9.000000000000000e+00    7.378651980553826e-01    1.183892379308912e+00    6.899289514250562e-06    2.586194213471948e-05
  1.000000000000000e+01    7.618838841024592e-01    1.577079185839070e+00    1.848967246309563e-06    2.826932303578999e-06
 ------------------------------------------------------------------------------------------------------------------------------
-Current time                 = 10.0013681010296
-Steps                        = 1577
-Error test fails             = 147
-NLS step fails               = 0
-Initial step size            = 0.000102986025609508
-Last step size               = 0.00638360784190842
-Current step size            = 0.00638360784190842
-Last method order            = 4
-Current method order         = 4
-Stab. lim. order reductions  = 0
-RHS fn evals                 = 2197
-NLS iters                    = 2194
-NLS fails                    = 0
-NLS iters per step           = 1.39124920735574
-LS setups                    = 272
-Jac fn evals                 = 29
-LS RHS fn evals              = 0
-Prec setup evals             = 0
-Prec solves                  = 0
-LS iters                     = 0
-LS fails                     = 0
-Jac-times setups             = 0
-Jac-times evals              = 0
-LS iters per NLS iter        = 0
-Jac evals per NLS iter       = 0.0132178669097539
-Prec evals per NLS iter      = 0
-Root fn evals                = 0
+Current time                  = 10.0013681010296
+Steps                         = 1577
+Error test fails              = 147
+NLS step fails                = 0
+Constraint fails              = 0
+Constraint corrections        = 0
+Initial step size             = 0.000102986025609508
+Last step size                = 0.00638360784190842
+Current step size             = 0.00638360784190842
+Last method order             = 4
+Current method order          = 4
+Stab. lim. order reductions   = 0
+RHS fn evals                  = 2197
+NLS iters                     = 2194
+NLS fails                     = 0
+NLS iters per step            = 1.39124920735574
+LS setups                     = 272
+Jac fn evals                  = 29
+LS RHS fn evals               = 0
+Prec setup evals              = 0
+Prec solves                   = 0
+LS iters                      = 0
+LS fails                      = 0
+Jac-times setups              = 0
+Jac-times evals               = 0
+LS iters per NLS iter         = 0
+Jac evals per NLS iter        = 0.0132178669097539
+Prec evals per NLS iter       = 0
+Root fn evals                 = 0
@@ -16,6 +16,8 @@ Current time                  = 10.0020756826936
 Steps                         = 1572
 Error test fails              = 144
 NLS step fails                = 0
+Constraint fails              = 0
+Constraint corrections        = 0
 Initial step size             = 0.01
 Last step size                = 0.00671233385398068
 Current step size             = 0.00671233385398068

@@ -25,19 +25,19 @@ Constraints cval = ( 1.00  1.00  1.00 )
   4.0000E+07   5.1479E-05   2.0593E-10   9.9995E-01
   4.0000E+08   6.0238E-06   2.4095E-11   9.9999E-01
   4.0000E+09   4.6711E-07   1.8685E-12   1.0000E+00
-  4.0000E+10   3.4054E-09   1.3622E-14   1.0000E+00
+  4.0000E+10   0.0000E+00   0.0000E+00   1.0000E+00
 
  ---------------------------------------------------
       Final      y1'          y2'          y3'
  ---------------------------------------------------
-               7.4513E-20   2.9805E-25  -7.4513E-20
+               0.0000E+00   0.0000E+00   6.4667E-20
 
   General Solver Stats:
     Total internal steps taken    =      387
     Total rhs function calls      =      561
     Total Jacobian function calls =       12
     Total root function calls     =      425
-    Total LU function calls       =       95
+    Total LU function calls       =       96
     Num error test failures       =       15
     Num nonlinear solver iters    =      558
     Num nonlinear solver fails    =        6

@@ -207,6 +207,8 @@ Current time                  = 10.077845282577
 Steps                         = 264
 Error test fails              = 18
 NLS step fails                = 0
+Constraint fails              = 0
+Constraint corrections        = 0
 Initial step size             = 2.84247208242895e-08
 Last step size                = 0.0810924147203236
 Current step size             = 0.0810924147203236

@@ -207,6 +207,8 @@ Current time                  = 10.0672363540683
 Steps                         = 270
 Error test fails              = 22
 NLS step fails                = 0
+Constraint fails              = 0
+Constraint corrections        = 0
 Initial step size             = 2.84247208242898e-08
 Last step size                = 0.0891171802985761
 Current step size             = 0.0891171802985761

@@ -207,6 +207,8 @@ Current time                  = 10.0672363540683
 Steps                         = 270
 Error test fails              = 22
 NLS step fails                = 0
+Constraint fails              = 0
+Constraint corrections        = 0
 Initial step size             = 2.84247208242898e-08
 Last step size                = 0.0891171802985761
 Current step size             = 0.0891171802985761

@@ -29,49 +29,51 @@
  2.000000000000000e-01    1.173149607363054e+00    1.048511182224932e-03
  2.500000000000000e-01    1.129971118809724e+00    7.777031646749588e-04
  3.000000000000000e-01    1.088068652479702e+00    3.867786296469777e-04
- 3.500000000000000e-01    1.051569453796381e+00    2.291655197173004e-04
- 4.000000000000000e-01    1.023519691519509e+00    1.152507676536185e-04
- 4.500000000000000e-01    1.005966466128100e+00    3.464712602863074e-05
- 4.999999999999999e-01    9.999941074735683e-01    6.549023902890916e-05
- 5.499999999999999e-01    1.005920139252285e+00    1.085862394125670e-04
+ 3.500000000000000e-01    1.051569453796381e+00    2.291655197177445e-04
+ 4.000000000000000e-01    1.023519691519510e+00    1.152507676551728e-04
+ 4.500000000000000e-01    1.005966466128100e+00    3.464712602885278e-05
+ 4.999999999999999e-01    9.999941074735680e-01    6.549023903024143e-05
+ 5.499999999999999e-01    1.005920139252284e+00    1.085862394110126e-04
  6.000000000000000e-01    1.023440066617863e+00    1.253667245226797e-04
- 6.500000000000000e-01    1.051474489311814e+00    4.368064039983466e-05
- 7.000000000000001e-01    1.087966430721224e+00    8.251704806849780e-05
- 7.500000000000001e-01    1.129793211633907e+00    2.403035068856418e-04
- 8.000000000000002e-01    1.172918720617323e+00    4.322501964297842e-04
- 8.500000000000002e-01    1.212839862652567e+00    6.883283219258907e-04
- 9.000000000000002e-01    1.245175128903723e+00    9.857170108882318e-04
- 9.500000000000003e-01    1.266235911062742e+00    1.301833676780495e-03
- 1.000000000000000e+00    1.273469281873646e+00    1.183015268845011e-03
+ 6.500000000000000e-01    1.051474489311814e+00    4.368064040116693e-05
+ 7.000000000000001e-01    1.087966430721224e+00    8.251704807071825e-05
+ 7.500000000000001e-01    1.129793211633907e+00    2.403035068845316e-04
+ 8.000000000000002e-01    1.172918720617321e+00    4.322501964284520e-04
+ 8.500000000000002e-01    1.212839862652565e+00    6.883283219212277e-04
+ 9.000000000000002e-01    1.245175128903723e+00    9.857170108886759e-04
+ 9.500000000000003e-01    1.266235911062742e+00    1.301833676790709e-03
+ 1.000000000000000e+00    1.273469281873640e+00    1.183015268851229e-03
  -----------------------------------------------------------------------
 
 Final integrator statistics:
-Current time                 = 1
-Steps                        = 41
-Error test fails             = 0
-NLS step fails               = 0
-Initial step size            = 0.002110117764420172
-Last step size               = 0.02782878040979117
-Current step size            = 0.02782878040979117
-Last method order            = 3
-Current method order         = 3
-Stab. lim. order reductions  = 0
-RHS fn evals                 = 52
-NLS iters                    = 49
-NLS fails                    = 0
-NLS iters per step           = 1.195121951219512
-LS setups                    = 7
-Jac fn evals                 = 1
-LS RHS fn evals              = 0
-Prec setup evals             = 0
-Prec solves                  = 0
-LS iters                     = 875
-LS fails                     = 0
-Jac-times setups             = 0
-Jac-times evals              = 0
-LS iters per NLS iter        = 17.85714285714286
-Jac evals per NLS iter       = 0.02040816326530612
-Prec evals per NLS iter      = 0
-Root fn evals                = 0
+Current time                  = 1
+Steps                         = 41
+Error test fails              = 0
+NLS step fails                = 0
+Constraint fails              = 0
+Constraint corrections        = 0
+Initial step size             = 0.00211011776442017
+Last step size                = 0.0278287804080046
+Current step size             = 0.0278287804080046
+Last method order             = 3
+Current method order          = 3
+Stab. lim. order reductions   = 0
+RHS fn evals                  = 52
+NLS iters                     = 49
+NLS fails                     = 0
+NLS iters per step            = 1.19512195121951
+LS setups                     = 7
+Jac fn evals                  = 1
+LS RHS fn evals               = 0
+Prec setup evals              = 0
+Prec solves                   = 0
+LS iters                      = 875
+LS fails                      = 0
+Jac-times setups              = 0
+Jac-times evals               = 0
+LS iters per NLS iter         = 17.8571428571429
+Jac evals per NLS iter        = 0.0204081632653061
+Prec evals per NLS iter       = 0
+Root fn evals                 = 0
 
-Max error = 1.183015268845011e-03
+Max error = 1.183015268851229e-03