Releases: LLNL/sundials
SUNDIALS v7.4.0
New Features and Enhancements
ARKodeSetCFLFraction
now allows cfl_frac
to be greater than or equal to one.
Added an option to enable compensated summation of the time accumulator for all of ARKODE. This was previously only an option for the SPRKStep module. The new function to call to enable this is ARKodeSetUseCompensatedSums
.
Bug Fixes
Fixed segfaults in CVodeAdjInit
and IDAAdjInit
when called after adjoint memory has been freed.
Fixed a CMake bug that would cause the Caliper compile test to fail at configure time.
Fixed a bug in the CVODE/CVODES CVodeSetEtaFixedStepBounds
function which disallowed setting eta_min_fx
or eta_max_fx
to 1.
SUNAdjointStepper_PrintAllStats
was reporting the wrong quantity for the number of "recompute passes" and has been fixed.
Deprecation Notices
The SPRKStepSetUseCompensatedSums
function has been deprecated. Use the ARKodeSetUseCompensatedSums
function instead.
SUNDIALS v7.3.0
Major Features
A new discrete adjoint capability for explicit Runge-Kutta methods has been added to the ARKODE ERKStep and ARKStep stepper modules. This is based on a new set of shared classes, SUNAdjointStepper
and SUNAdjointCheckpointScheme
. A new example demonstrating this capability can be found in examples/arkode/C_serial/ark_lotka_volterra_ASA.c
.
New Features and Enhancements
ARKODE
The following changes have been made to the default ERK, DIRK, and ARK methods in ARKODE to utilize more efficient methods:
Type | Old Default | New Default |
---|---|---|
2nd Order Explicit | ARKODE_HEUN_EULER_2_1_2 |
ARKODE_RALSTON_3_1_2 |
4th Order Explicit | ARKODE_ZONNEVELD_5_3_4 |
ARKODE_SOFRONIOU_SPALETTA_5_3_4 |
5th Order Explicit | ARKODE_CASH_KARP_6_4_5 |
ARKODE_TSITOURAS_7_4_5 |
6th Order Explicit | ARKODE_VERNER_8_5_6 |
ARKODE_VERNER_9_5_6 |
8th Order Explicit | ARKODE_FEHLBERG_13_7_8 |
ARKODE_VERNER_13_7_8 |
2nd Order Implicit | ARKODE_SDIRK_2_1_2 |
ARKODE_ARK2_DIRK_3_1_2 |
3rd Order Implicit | ARKODE_ARK324L2SA_DIRK_4_2_3 |
ARKODE_ESDIRK325L2SA_5_2_3 |
4th Order Implicit | ARKODE_SDIRK_5_3_4 |
ARKODE_ESDIRK436L2SA_6_3_4 |
5th Order Implicit | ARKODE_ARK548L2SA_DIRK_8_4_5 |
ARKODE_ESDIRK547L2SA2_7_4_5 |
4th Order ARK | ARKODE_ARK436L2SA_ERK_6_3_4 and ARKODE_ARK436L2SA_DIRK_6_3_4 |
ARKODE_ARK437L2SA_ERK_7_3_4 and ARKODE_ARK437L2SA_DIRK_7_3_4 |
5th Order ARK | ARKODE_ARK548L2SA_ERK_8_4_5 and ARKODE_ARK548L2SA_DIRK_8_4_5 |
ARKODE_ARK548L2SAb_ERK_8_4_5 and ARKODE_ARK548L2SAb_DIRK_8_4_5 |
The old default methods can be loaded using the functions ERKStepSetTableName
or ERKStepSetTableNum
with ERKStep and ARKStepSetTableName
or ARKStepSetTableNum
with ARKStep and passing the desired method name string or constant, respectively. For example, the following call can be used to load the old default fourth order method with ERKStep:
/* Load the old 4th order ERK method using the table name */
ierr = ERKStepSetTableName(arkode_mem, "ARKODE_ZONNEVELD_5_3_4");
Similarly with ARKStep, the following calls can be used for ERK, DIRK, or ARK
methods, respectively:
/* Load the old 4th order ERK method by name */
ierr = ARKStepSetTableName(arkode_mem, "ARKODE_DIRK_NONE", "ARKODE_ZONNEVELD_5_3_4");
/* Load the old 4th order DIRK method by name */
ierr = ARKStepSetTableName(arkode_mem, "ARKODE_SDIRK_5_3_4", "ARKODE_ERK_NONE");
/* Load the old 4th order ARK method by name */
ierr = ARKStepSetTableName(arkode_mem, "ARKODE_ARK436L2SA_DIRK_6_3_4", "ARKODE_ARK436L2SA_ERK_6_3_4");
Additionally, the following changes have been made to the default time step adaptivity parameters in ARKODE:
Parameter | Old Default | New Default |
---|---|---|
Controller | PID (PI for ERKStep) | I |
Safety Factor | 0.96 | 0.9 |
Bias | 1.5 (1.2 for ERKStep) | 1.0 |
Fixed Step Bounds | [1.0, 1.5] | [1.0, 1.0] |
Adaptivity Adjustment | -1 | 0 |
The following calls can be used to restore the old defaults for ERKStep:
SUNAdaptController controller = SUNAdaptController_Soderlind(ctx);
SUNAdaptController_SetParams_PI(controller, 0.8, -0.31);
ARKodeSetAdaptController(arkode_mem, controller);
SUNAdaptController_SetErrorBias(controller, 1.2);
ARKodeSetSafetyFactor(arkode_mem, 0.96);
ARKodeSetFixedStepBounds(arkode_mem, 1, 1.5);
ARKodeSetAdaptivityAdjustment(arkode_mem, -1);
The following calls can be used to restore the old defaults for other ARKODE integrators:
SUNAdaptController controller = SUNAdaptController_PID(ctx);
ARKodeSetAdaptController(arkode_mem, controller);
SUNAdaptController_SetErrorBias(controller, 1.5);
ARKodeSetSafetyFactor(arkode_mem, 0.96);
ARKodeSetFixedStepBounds(arkode_mem, 1, 1.5);
ARKodeSetAdaptivityAdjustment(arkode_mem, -1);
In both cases above, destroy the controller at the end of the run with SUNAdaptController_Destroy(controller);
.
The Soderlind time step adaptivity controller now starts with an I controller until there is sufficient history of past time steps and errors.
Added ARKodeSetAdaptControllerByName
to set a time step adaptivity controller with a string. There are also four new controllers: SUNAdaptController_H0211
, SUNAdaptController_H0321
, SUNAdaptController_H211
, and SUNAdaptController_H312
.
Added the ARKODE_RALSTON_3_1_2
and ARKODE_TSITOURAS_7_4_5
explicit Runge-Kutta Butcher tables.
Improved the precision of the coefficients for ARKODE_ARK324L2SA_ERK_4_2_3
, ARKODE_VERNER_9_5_6
, ARKODE_VERNER_10_6_7
, ARKODE_VERNER_13_7_8
, ARKODE_ARK324L2SA_DIRK_4_2_3
, and ARKODE_ESDIRK324L2SA_4_2_3
.
CVODE / CVODES
Added support for resizing CVODE and CVODES when solving initial value problems where the number of equations and unknowns changes over time. Resizing requires a user supplied history of solution and right-hand side values at the new problem size, see CVodeResizeHistory
for more information.
KINSOL
Added support in KINSOL for setting user-supplied functions to compute the damping factor and, when using Anderson acceleration, the depth in fixed-point or Picard iterations. See KINSetDampingFn
and KINSetDepthFn
, respectively, for more information.
SUNDIALS Types
A new type, suncountertype
, was added for the integer type used for counter variables. It is currently an alias for long int
.
Bug Fixes
ARKODE
Fixed bug in ARKodeResize
which caused it return an error for MRI methods.
Removed error floors from the SUNAdaptController
implementations which could unnecessarily limit the time size growth, particularly after the first step.
Fixed bug in ARKodeSetFixedStep
where it could return ARK_SUCCESS
despite an error occurring.
Fixed bug in the ARKODE SPRKStep SPRKStepReInit
function and ARKodeReset
function with SPRKStep that could cause a segmentation fault when compensated summation is not used.
KINSOL
Fixed a bug in KINSOL where an incorrect damping parameter is applied on the initial iteration with Anderson acceleration unless KINSetDamping
and KINSetDampingAA
are both called with the same value when enabling damping.
Fixed a bug in KINSOL where errors that occurred when computing Anderson acceleration were not captured.
Added missing return values to KINGetReturnFlagName
.
CMake
Fixed the behavior of SUNDIALS_ENABLE_ERROR_CHECKS
so additional runtime error checks are disabled by default with all release build types. Previously, MinSizeRel
builds enabled additional error checking by default.
Deprecation Notices
All work space functions, e.g., CVodeGetWorkSpace
and ARKodeGetLinWorkSpace
, have been deprecated and will be removed in version 8.0.0.
SUNDIALS v7.2.1
New Features and Enhancements
Unit tests were separated from examples. To that end, the following directories were moved out of the examples/
directory to the test/unit_tests
directory: nvector
, sunmatrix
, sunlinsol
, and sunnonlinsol
.
Bug Fixes
Fixed a bug in ARKStep where an extra right-hand side evaluation would occur each time step when enabling the ARKodeSetAutonomous
option and using an IMEX method where the DIRK table has an implicit first stage and is not stiffly accurate.
SUNDIALS v7.2.0
Major Features
Added a time-stepping module to ARKODE for low storage Runge--Kutta methods, LSRKStep. This currently supports five explicit low-storage methods: the second-order Runge--Kutta--Chebyshev and Runge--Kutta--Legendre methods, and the second- through fourth-order optimal strong stability preserving Runge--Kutta methods. All methods include embeddings for temporal adaptivity.
Added an operator splitting module, SplittingStep, and forcing method module, ForcingStep, to ARKODE. These modules support a broad range of operator-split time integration methods for multiphysics applications.
Added support for multirate time step adaptivity controllers, based on the recently introduced SUNAdaptController
base class, to ARKODE's MRIStep module. As a part of this, we added embeddings for existing MRI-GARK methods, as well as support for embedded MERK and IMEX-MRI-SR methods. Added new default MRI methods for temporally adaptive versus fixed-step runs.
New Features and Enhancements
Logging
The information level logging output in ARKODE, CVODE(S), and IDA(S) has been updated to be more uniform across the packages and a new tools
directory has been added with a Python module, suntools
, containing utilities for parsing logging output. The Python utilities for parsing CSV output have been relocated from the scripts
directory to the Python module.
SUNStepper
Added the SUNStepper
base class to represent a generic solution procedure for IVPs. This is used by the SplittingStep and ForcingStep modules of ARKODE. A SUNStepper can be created from an ARKODE memory block with the new function ARKodeCreateSUNStepper
. To enable interoperability with MRIStepInnerStepper
, the function MRIStepInnerStepper_CreateFromSUNStepper
was added.
ARKODE
Added functionality to ARKODE to accumulate a temporal error estimate over multiple time steps. See the routines ARKodeSetAccumulatedErrorType
, ARKodeResetAccumulatedError
, and ARKodeGetAccumulatedError
for details.
Added the ARKodeSetStepDirection
and ARKodeGetStepDirection
functions to change and query the direction of integration.
Added the function MRIStepGetNumInnerStepperFails
to retrieve the number of recoverable failures reported by the MRIStepInnerStepper.
Added a utility routine to wrap any valid ARKODE integrator for use as an MRIStep inner stepper object, ARKodeCreateMRIStepInnerStepper
.
The following DIRK schemes now have coefficients accurate to quad precision:
ARKODE_BILLINGTON_3_3_2
ARKODE_KVAERNO_4_2_3
ARKODE_CASH_5_2_4
ARKODE_CASH_5_3_4
ARKODE_KVAERNO_5_3_4
ARKODE_KVAERNO_7_4_5
CMake
The default value of CMAKE_CUDA_ARCHITECTURES
is no longer set to 70
and is now determined automatically by CMake. The previous default was only valid for Volta GPUs while the automatically selected value will vary across compilers and compiler versions. As such, users are encouraged to override this value with the architecture for their system.
The build system has been updated to utilize the CMake LAPACK imported target which should ease building SUNDIALS with LAPACK libraries that require setting specific linker flags e.g., MKL.
Third Party Libraries
The Trilinos Teptra NVector interface has been updated to utilize CMake imported targets added in Trilinos 14 to improve support for different Kokkos backends with Trilinos. As such, Trilinos 14 or newer is required and the Trilinos_INTERFACE_*
CMake options have been removed.
Example programs using hypre have been updated to support v2.20 and newer.
Bug Fixes
CMake
Fixed a CMake bug regarding usage of missing "print_warning" macro that was only triggered when the deprecated CUDA_ARCH
option was used.
Fixed a CMake configuration issue related to aliasing an ALIAS
target when using ENABLE_KLU=ON
in combination with a static-only build of SuiteSparse.
Fixed a CMake issue which caused third-party CMake variables to be unset. Users may see more options in the CMake GUI now as a result of the fix. See details in GitHub Issue #538.
NVector
Fixed a build failure with the SYCL NVector when using Intel oneAPI 2025.0 compilers. See GitHub Issue #596.
Fixed compilation errors when building the Trilinos Teptra NVector with CUDA support.
SUNMatrix
Fixed a bug in the sparse matrix implementation of SUNMatScaleAddI
which caused out of bounds writes unless indexvals
were in ascending order for each row/column.
SUNLinearSolver
Fixed a bug in the SPTFQMR linear solver where recoverable preconditioner errors were reported as unrecoverable.
ARKODE
Fixed ARKodeResize
not using the default hscale
when an argument of 0
was provided.
Fixed a memory leak that could occur if ARKodeSetDefaults
is called repeatedly.
Fixed the loading of ARKStep's default first order explicit method.
Fixed loading the default IMEX-MRI method if ARKodeSetOrder
is used to specify a third or fourth order method. Previously, the default second order method was loaded in both cases.
Fixed potential memory leaks and out of bounds array accesses that could occur in the ARKODE Lagrange interpolation module when changing the method order or polynomial degree after re-initializing an integrator.
Fixed a bug in ARKODE when enabling rootfinding with fixed step sizes and the initial value of the rootfinding function is zero. In this case, uninitialized right-hand side data was used to compute a state value near the initial condition to determine if any rootfinding functions are initially active.
Fixed a bug in MRIStep where the data supplied to the Hermite interpolation module did not include contributions from the fast right-hand side function. With this fix, users will see one additional fast right-hand side function evaluation per slow step with the Hermite interpolation option.
Fixed a bug in SPRKStep when using compensated summations where the error vector was not initialized to zero.
CVODE(S)
Fixed a bug where CVodeSetProjFailEta
would ignore the eta
parameter.
Fortran Interfaces
Fixed a bug in the 32-bit sunindextype
Fortran interfaces to N_VGetSubvectorArrayPointer_ManyVector
, N_VGetSubvectorArrayPointer_MPIManyVector
, SUNBandMatrix_Column
and SUNDenseMatrix_Column
where 64-bit sunindextype
interface functions were used.
Deprecation Notices
Deprecated the ARKStep-specific utility routine for wrapping an ARKStep instance as an MRIStep inner stepper object, ARKStepCreateMRIStepInnerStepper
. Use ARKodeCreateMRIStepInnerStepper
instead.
The ARKODE stepper specific functions to retrieve the number of right-hand side function evaluations have been deprecated. Use ARKodeGetNumRhsEvals
instead.
SUNDIALS v7.1.1
Fixed a bug in v7.1.0 with the SYCL N_Vector N_VSpace
function.
SUNDIALS v7.1.0
Major Features
Created shared user interface functions for ARKODE to allow more uniform control over time-stepping algorithms, improved extensibility, and simplified code maintenance. The corresponding stepper-specific user-callable functions are now deprecated and will be removed in a future major release.
Added CMake infrastructure that enables externally maintained addons/plugins to be optionally built with SUNDIALS. See the Contributing Guide for more details.
New Features and Enhancements
Added support for Kokkos Kernels v4.
Added the following Runge-Kutta Butcher tables
ARKODE_FORWARD_EULER_1_1
ARKODE_RALSTON_EULER_2_1_2
ARKODE_EXPLICIT_MIDPOINT_EULER_2_1_2
ARKODE_BACKWARD_EULER_1_1
ARKODE_IMPLICIT_MIDPOINT_1_2
ARKODE_IMPLICIT_TRAPEZOIDAL_2_2
Added the following MRI coupling tables
ARKODE_MRI_GARK_FORWARD_EULER
ARKODE_MRI_GARK_RALSTON2
ARKODE_MRI_GARK_RALSTON3
ARKODE_MRI_GARK_BACKWARD_EULER
ARKODE_MRI_GARK_IMPLICIT_MIDPOINT
ARKODE_IMEX_MRI_GARK_EULER
ARKODE_IMEX_MRI_GARK_TRAPEZOIDAL
ARKODE_IMEX_MRI_GARK_MIDPOINT
Added ARKodeButcherTable_ERKIDToName
and ARKodeButcherTable_DIRKIDToName
to convert a Butcher table ID to a string representation.
Added the function ARKodeSetAutonomous
in ARKODE to indicate that the implicit right-hand side function does not explicitly depend on time. When using the trivial predictor, an autonomous problem may reuse implicit function evaluations across stage solves to reduce the total number of function evaluations.
Users may now disable interpolated output in ARKODE by passing ARK_INTERP_NONE
to ARKodeSetInterpolantType
. When interpolation is disabled, rootfinding is not supported, implicit methods must use the trivial predictor (the default option), and interpolation at stop times cannot be used (interpolating at stop times is disabled by default). With interpolation disabled, calling ARKodeEvolve
in ARK_NORMAL
mode will return at or past the requested output time (setting a stop time may still be used to halt the integrator at a specific time). Disabling interpolation will reduce the memory footprint of an integrator by two or more state vectors (depending on the interpolant type and degree) which can be beneficial when interpolation is not needed e.g., when integrating to a final time without output in between or using an explicit fast time scale integrator with an MRI method.
Added "Resize" capability to ARKODE's SPRKStep time-stepping module.
Enabled the Fortran interfaces to build with 32-bit sunindextype
.
Bug Fixes
Updated the CMake variable HIP_PLATFORM
default to amd
as the previous default, hcc
, is no longer recognized in ROCm 5.7.0 or newer. The new default is also valid in older version of ROCm (at least back to version 4.3.1).
Renamed the DPCPP value for the SUNDIALS_GINKGO_BACKENDS
CMake option to SYCL
to match Ginkgo's updated naming convention.
Changed the CMake version compatibility mode for SUNDIALS to AnyNewerVersion
instead of SameMajorVersion
. This fixes the issue seen here.
Fixed a CMake bug that caused an MPI linking error for our C++ examples in some instances. Fixes GitHub Issue #464.
Fixed the runtime library installation path for windows systems. This fix changes the default library installation path from
CMAKE_INSTALL_PREFIX/CMAKE_INSTALL_LIBDIR
to CMAKE_INSTALL_PREFIX/CMAKE_INSTALL_BINDIR
.
Fixed conflicting .lib
files between shared and static libs when using MSVC
on Windows.
Fixed invalid SUNDIALS_EXPORT
generated macro when building both shared and static libs.
Fixed a bug in some Fortran examples where c_null_ptr
was passed as an argument to a function pointer instead of c_null_funptr
. This caused compilation issues with the Cray Fortran compiler.
Fixed a bug in the HIP execution policies where WARP_SIZE
would not be set with ROCm 6.0.0 or newer.
Fixed a bug that caused error messages to be cut off in some cases. Fixes GitHub Issue #461.
Fixed a memory leak when an error handler was added to a SUNContext
. Fixes GitHub Issue #466.
Fixed a bug where MRIStepEvolve
would not handle a recoverable error produced from evolving the inner stepper.
Added missing SetRootDirection
and SetNoInactiveRootWarn
functions to ARKODE's SPRKStep time-stepping module.
Fixed a bug in ARKodeSPRKTable_Create
where the coefficient arrays were not allocated.
Fix bug on LLP64 platforms (like Windows 64-bit) where KLU_INDEXTYPE
could be 32 bits wide even if SUNDIALS_INT64_T
is defined.
Check if size of SuiteSparse_long
is 8 if the size of sunindextype
is 8 when using KLU.
Fixed several build errors with the Fortran interfaces on Windows systems.
Deprecation Notices
Numerous ARKODE stepper-specific functions are now deprecated in favor of ARKODE-wide functions.
Deprecated the ARKStepSetOptimalParams
function. Since this function does not have an ARKODE-wide equivalent, instructions have been added to the user guide for how to retain the current functionality using other user-callable functions.
The unsupported implementations of N_VGetArrayPointer
and N_VSetArrayPointer
for the hypre and PETSc vectors are now deprecated. Users should access the underlying wrapped external library vector objects instead with N_VGetVector_ParHyp
and N_VGetVector_Petsc
, respectively.
SUNDIALS v7.0.0
Major Feature
SUNDIALS now has more robust and uniform error handling. Non-release builds will be built with additional error checking by default. See the Error Checking section in the user guide for details.
Breaking Changes
Minimum C Standard
SUNDIALS now requires using a compiler that supports a subset of the C99 standard. Note with the Microsoft C/C++ compiler the subset of C99 features utilized by SUNDIALS are available starting with Visual Studio 2015.
Deprecated Types and Functions Removed
The previously deprecated types realtype
and booleantype
were removed from sundials_types.h
and replaced with sunrealtype
and sunbooleantype
. The deprecated names for these types can be used by including the header file sundials_types_deprecated.h
but will be fully removed in the next major release. Functions, types and header files that were previously deprecated have also been removed.
Error Handling Changes
With the addition of the new error handling capability, the *SetErrHandlerFn
and *SetErrFile
functions in CVODE(S), IDA(S), ARKODE, and KINSOL have been removed. Users of these functions can use the functions SUNContext_PushErrHandler
, and SUNLogger_SetErrorFilename
instead. For further details see the Error Checking and Logging sections in the documentation.
In addition the following names/symbols were replaced by SUN_ERR_*
codes:
Removed | Replaced with SUNErrCode |
---|---|
SUNLS_SUCCESS |
SUN_SUCCESS |
SUNLS_UNRECOV_FAILURE |
no replacement (value was unused) |
SUNLS_MEM_NULL |
SUN_ERR_ARG_CORRUPT |
SUNLS_ILL_INPUT |
SUN_ERR_ARG_* |
SUNLS_MEM_FAIL |
SUN_ERR_MEM_FAIL |
SUNLS_PACKAGE_FAIL_UNREC |
SUN_ERR_EXT_FAIL |
SUNLS_VECTOROP_ERR |
SUN_ERR_OP_FAIL |
SUN_NLS_SUCCESS |
SUN_SUCCESS |
SUN_NLS_MEM_NULL |
SUN_ERR_ARG_CORRUPT |
SUN_NLS_MEM_FAIL |
SUN_ERR_MEM_FAIL |
SUN_NLS_ILL_INPUT |
SUN_ERR_ARG_* |
SUN_NLS_VECTOROP_ERR |
SUN_ERR_OP_FAIL |
SUN_NLS_EXT_FAIL |
SUN_ERR_EXT_FAIL |
SUNMAT_SUCCESS |
SUN_SUCCESS |
SUNMAT_ILL_INPUT |
SUN_ERR_ARG_* |
SUNMAT_MEM_FAIL |
SUN_ERR_MEM_FAIL |
SUNMAT_OPERATION_FAIL |
SUN_ERR_OP_FAIL |
SUNMAT_MATVEC_SETUP_REQUIRED |
SUN_ERR_OP_FAIL |
The following functions have had their signature updated to ensure they can leverage the new SUNDIALS error handling capabilities.
// From sundials_futils.h
SUNDIALSFileOpen
SUNDIALSFileClose
// From sundials_memory.h
SUNMemorNewEmpty
SUNMemoryHelper_Alias
SUNMemoryHelper_Wrap
// From sundials_nvector.h
N_VNewVectorArray
SUNComm Type Added
We have replaced the use of a type-erased (i.e., void*
) pointer to a communicator in place of MPI_Comm
throughout the SUNDIALS API with a SUNComm
, which is just a typedef to an int
in builds without MPI and a typedef to a MPI_Comm
in builds with MPI. As a result:
-
All users will need to update their codes because the call to
SUNContext_Create
now takes aSUNComm
instead of type-erased pointer to a communicator. For non-MPI codes, passSUN_COMM_NULL
to thecomm
argument instead ofNULL
. For MPI codes, pass theMPI_Comm
directly. -
The same change must be made for calls to
SUNLogger_Create
orSUNProfiler_Create
. -
Some users will need to update their calls to
N_VGetCommunicator
, and update any customN_Vector
implementations that provideN_VGetCommunicator
, since it now returns aSUNComm
.
The change away from type-erased pointers for SUNComm
fixes problems like the one described in GitHub Issue #275.
The SUNLogger is now always MPI-aware if MPI is enabled in SUNDIALS and the SUNDIALS_LOGGING_ENABLE_MPI
CMake option and macro definition were removed accordingly.
SUNDIALS Core Library
Users now need to link to sundials_core
in addition to the libraries already linked to. This will be picked up automatically in projects that use the SUNDIALS CMake target. The library sundials_generic
has been superseded by sundials_core
and is no longer available. This fixes some duplicate symbol errors on Windows when linking to multiple SUNDIALS libraries.
Fortran Interface Modules Streamlined
We have streamlined the Fortran modules that need to be included by users by combining the SUNDIALS core into one Fortran module, fsundials_core_mod
. Modules for implementations of the core APIs still exist (e.g., for the Dense linear solver there is fsunlinsol_dense_mod
) as do the modules for the SUNDIALS packages (e.g., fcvode_mod
). The following modules are the ones that have been consolidated into fsundials_core_mod
:
fsundials_adaptcontroller_mod
fsundials_context_mod
fsundials_futils_mod
fsundials_linearsolver_mod
fsundials_logger_mod
fsundials_matrix_mod
fsundials_nonlinearsolver_mod
fsundials_nvector_mod
fsundials_profiler_mod
fsundials_types_mod
Deprecation notice
The functions in sundials_math.h
will be deprecated in the next release.
sunrealtype SUNRpowerI(sunrealtype base, int exponent);
sunrealtype SUNRpowerR(sunrealtype base, sunrealtype exponent);
sunbooleantype SUNRCompare(sunrealtype a, sunrealtype b);
sunbooleantype SUNRCompareTol(sunrealtype a, sunrealtype b, sunrealtype tol);
sunrealtype SUNStrToReal(const char* str);
Additionally, the following header files (and everything in them) will be
deprecated -- users who rely on these are recommended to transition to the
corresponding SUNMatrix
and SUNLinearSolver
modules:
sundials_direct.h
sundials_dense.h
sundials_band.h
Minor Changes
Fixed #329 so that C++20 aggregate initialization can be used.
Fixed integer overflow in the internal SUNDIALS hashmap. This resolves #409 and #249.
The CMAKE_BUILD_TYPE
defaults to RelWithDebInfo
mode now i.e., SUNDIALS will be built with optimizations and debugging symbols enabled by default. Previously the build type was unset by default so no optimization or debugging flags were set.
The advanced CMake options to override the inferred LAPACK name-mangling scheme have been updated from SUNDIALS_F77_FUNC_CASE
and SUNDIALS_F77_FUNC_UNDERSCORES
to SUNDIALS_LAPACK_CASE
and SUNDIALS_LAPACK_UNDERSCORES
, respectively.
Converted most previous Fortran 77 and 90 examples to use SUNDIALS' Fortran 2003 interface.
SUNDIALS v7.0.0-rc.1
Major Feature
SUNDIALS now has more robust and uniform error handling. Non-release builds will be built with additional error checking by default. See the Error Checking section in the user guide for details.
Breaking Changes
Deprecated Types and Functions Removed
The previously deprecated types realtype
and booleantype
were removed from sundials_types.h
and replaced with sunrealtype
and sunbooleantype
. The deprecated names for these types can be used by including the header file sundials_types_deprecated.h
but will be fully removed in the next major release. Functions, types and header files that were previously deprecated have also been removed.
Error Handling Changes
With the addition of the new error handling capability, the *SetErrHandlerFn
and *SetErrFile
functions in CVODE(S), IDA(S), ARKODE, and KINSOL have been removed. Users of these functions can use the functions SUNContext_PushErrHandler
, and SUNLogger_SetErrorFilename
instead. For further details see the Error Checking and Logging sections in the documentation.
In addition the following names/symbols were replaced by SUN_ERR_*
codes:
Removed | Replaced with SUNErrCode |
---|---|
SUNLS_SUCCESS |
SUN_SUCCESS |
SUNLS_UNRECOV_FAILURE |
no replacement (value was unused) |
SUNLS_MEM_NULL |
SUN_ERR_ARG_CORRUPT |
SUNLS_ILL_INPUT |
SUN_ERR_ARG_* |
SUNLS_MEM_FAIL |
SUN_ERR_MEM_FAIL |
SUNLS_PACKAGE_FAIL_UNREC |
SUN_ERR_EXT_FAIL |
SUNLS_VECTOROP_ERR |
SUN_ERR_OP_FAIL |
SUN_NLS_SUCCESS |
SUN_SUCCESS |
SUN_NLS_MEM_NULL |
SUN_ERR_ARG_CORRUPT |
SUN_NLS_MEM_FAIL |
SUN_ERR_MEM_FAIL |
SUN_NLS_ILL_INPUT |
SUN_ERR_ARG_* |
SUN_NLS_VECTOROP_ERR |
SUN_ERR_OP_FAIL |
SUN_NLS_EXT_FAIL |
SUN_ERR_EXT_FAIL |
SUNMAT_SUCCESS |
SUN_SUCCESS |
SUNMAT_ILL_INPUT |
SUN_ERR_ARG_* |
SUNMAT_MEM_FAIL |
SUN_ERR_MEM_FAIL |
SUNMAT_OPERATION_FAIL |
SUN_ERR_OP_FAIL |
SUNMAT_MATVEC_SETUP_REQUIRED |
SUN_ERR_OP_FAIL |
The following functions have had their signature updated to ensure they can leverage the new SUNDIALS error handling capabilities.
// From sundials_futils.h
SUNDIALSFileOpen
SUNDIALSFileClose
// From sundials_memory.h
SUNMemorNewEmpty
SUNMemoryHelper_Alias
SUNMemoryHelper_Wrap
// From sundials_nvector.h
N_VNewVectorArray
SUNComm Type Added
We have replaced the use of a type-erased (i.e., void*
) pointer to a communicator in place of MPI_Comm
throughout the SUNDIALS API with a SUNComm
, which is just a typedef to an int
in builds without MPI and a typedef to a MPI_Comm
in builds with MPI. As a result:
-
All users will need to update their codes because the call to
SUNContext_Create
now takes aSUNComm
instead of type-erased pointer to a communicator. For non-MPI codes, passSUN_COMM_NULL
to thecomm
argument instead ofNULL
. For MPI codes, pass theMPI_Comm
directly. -
The same change must be made for calls to
SUNLogger_Create
orSUNProfiler_Create
. -
Some users will need to update their calls to
N_VGetCommunicator
, and update any customN_Vector
implementations that provideN_VGetCommunicator
, since it now returns aSUNComm
.
The change away from type-erased pointers for SUNComm
fixes problems like the one described in GitHub Issue #275.
The SUNLogger is now always MPI-aware if MPI is enabled in SUNDIALS and the SUNDIALS_LOGGING_ENABLE_MPI
CMake option and macro definition were removed accordingly.
SUNDIALS Core Library
Users now need to link to sundials_core
in addition to the libraries already linked to. This will be picked up automatically in projects that use the SUNDIALS CMake target. The library sundials_generic
has been superseded by sundials_core
and is no longer available. This fixes some duplicate symbol errors on Windows when linking to multiple SUNDIALS libraries.
Deprecation notice
The functions in sundials_math.h
will be deprecated in the next release.
sunrealtype SUNRpowerI(sunrealtype base, int exponent);
sunrealtype SUNRpowerR(sunrealtype base, sunrealtype exponent);
sunbooleantype SUNRCompare(sunrealtype a, sunrealtype b);
sunbooleantype SUNRCompareTol(sunrealtype a, sunrealtype b, sunrealtype tol);
sunrealtype SUNStrToReal(const char* str);
Additionally, the following header files (and everything in them) will be deprecated -- users who rely on these are recommended to transition to the corresponding SUNMatrix
and SUNLinearSolver
modules:
sundials_direct.h
sundials_dense.h
sundials_band.h
SUNDIALS v6.7.0
Added the SUNAdaptController
base class, ported ARKODE's internal implementations of time step controllers into implementations of this class, and updated ARKODE to use these objects instead of its own implementations. Added ARKStepSetAdaptController
and ERKStepSetAdaptController
routines so that users can modify controller parameters, or even provide custom implementations.
Added the routines ARKStepSetAdaptivityAdjustment
and ERKStepSetAdaptivityAdjustment
, that allow users to adjust the value for the method order supplied to the temporal adaptivity controllers. The ARKODE default for this adjustment has been -1 since its initial release, but for some applications a value of 0 is more appropriate. Users who notice that their simulations encounter a large number of temporal error test failures may want to experiment with adjusting this value.
Added the third order ERK method ARKODE_SHU_OSHER_3_2_3
, the fourth order ERK method ARKODE_SOFRONIOU_SPALETTA_5_3_4
, the sixth order ERK method ARKODE_VERNER_9_5_6
, the seventh order ERK method ARKODE_VERNER_10_6_7
, the eighth order ERK method ARKODE_VERNER_13_7_8
, and the ninth order ERK method ARKODE_VERNER_16_8_9
.
ARKStep, ERKStep, MRIStep, and SPRKStep were updated to remove a potentially unnecessary right-hand side evaluation at the end of an integration. ARKStep was additionally updated to remove extra right-hand side evaluations when using an explicit method or an implicit method with an explicit first stage.
Improved computational complexity of SUNMatScaleAddI_Sparse
from O(M*N)
to O(NNZ)
.
Added Fortran support for the LAPACK dense SUNLinearSolver
implementation.
Fixed a regression introduced by the stop time bug fix in v6.6.1 where ARKODE, CVODE, CVODES, IDA, and IDAS would return at the stop time rather than the requested output time if the stop time was reached in the same step in which the output time was passed.
Fixed a bug in ERKStep where methods with c[s-1] = 1
but a[s-1,j] != b[j]
were incorrectly treated as having the first same as last (FSAL) property.
Fixed a bug in ARKODE where ARKStepSetInterpolateStopTime
would return an interpolated solution at the stop time in some cases when interpolation was disabled.
Fixed a bug in ARKStepSetTableNum
wherein it did not recognize ARKODE_ARK2_ERK_3_1_2
and ARKODE_ARK2_DIRK_3_1_2
as a valid additive Runge--Kutta Butcher table pair.
Fixed a bug in MRIStepCoupling_Write
where explicit coupling tables were not written to the output file pointer.
The MRIStepInnerStepper
class in MRIStep was updated to make supplying an MRIStepInnerFullRhsFn
optional.
Fixed scaling bug in SUNMatScaleAddI_Sparse
for non-square matrices.
Changed the SUNProfiler
so that it does not rely on MPI_WTime
in any case. This fixes GitHub Issue #312.
Fixed missing soversions in some SUNLinearSolver
and SUNNonlinearSolver
CMake targets.
Renamed some internal types in CVODES and IDAS to allow both packages to be built together in the same binary.
SUNDIALS patch release v6.6.2
Fixed the build system support for MAGMA when using a NVIDIA HPC SDK installation of CUDA and fixed the targets used for rocBLAS and rocSPARSE.