Feature/error handling just the core

.github/workflows/double-precision.yml

@@ -21,6 +21,7 @@ jobs:
       matrix:
         indexsize: [32, 64]
         precision: ['double']
+        buildtype: ['Debug', 'Release']
     steps:
       - name: Checkout repository
         uses: actions/checkout@v3
@@ -31,6 +32,8 @@ jobs:
         with:
           indexsize: ${{ matrix.indexsize }}
           precision: ${{ matrix.precision }}
+        env:
+          CMAKE_BUILD_TYPE: ${{ matrix.buildtype }}
       - name: Archive build files from failed build
         uses: actions/upload-artifact@v3
         if: failure()

.github/workflows/extended-precision.yml

@@ -45,3 +45,4 @@ jobs:
           name: output_files
           path: |
             ${{ github.workspace }}/test/build_*/Testing/
+

.github/workflows/single-precision.yml

@@ -45,3 +45,4 @@ jobs:
           name: output_files
           path: |
             ${{ github.workspace }}/test/build_*/Testing/
+

CHANGELOG.md

@@ -48,9 +48,6 @@ CMake targets.
 
 Added Fortran support for the LAPACK dense `SUNLinearSolver` implementation.
 
-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.
-
 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`,
@@ -60,6 +57,50 @@ method `ARKODE_VERNER_16_8_9`.
 Changed the `SUNProfiler` so that it does not rely on `MPI_WTime` in any case.
 This fixes https://github.com/LLNL/sundials/issues/312. 
 
+**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 Handling"
+section in the user guide for details.
+
+**Deprecation notice**
+The functions in `sundials_math.h` will be deprecated in the next release.
+
+```c
+  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
+```
+
+**Breaking change**
+The following functions have had their signature updated to ensure they can leverage
+the new SUNDIALS error handling capabilties. 
+
+```c
+// From sundials_futils.h
+SUNDIALSFileOpen
+SUNDIALSFileClose
+
+// From sundials_memory.h
+SUNMemorNewEmpty
+SUNMemoryHelper_Alias
+SUNMemoryHelper_Wrap
+
+// From sundials_nvector.h
+N_VNewVectorArray
+```
+
 **Breaking change** 
 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
@@ -83,21 +124,26 @@ and a typedef to a `MPI_Comm` in builds with MPI. Here is what this means:
 The change away from type-erased pointers for `SUNComm` fixes problems like the 
 one described in [GitHub Issue #275](https://github.com/LLNL/sundials/issues/275).
 
-**Breaking change**
 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.
 
 **Breaking change**
 Functions, types and header files that were previously deprecated have been
-removed.  
+removed.
 
 **Breaking change**
 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 superceded by `sundials_core` and is no longer available.
 This fixes some duplicate symbol errors on Windows when linking to multiple SUNDIALS libraries.
 
+
+## Changes to SUNDIALS in release 6.6.2
+
+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.
+
 ## Changes to SUNDIALS in release 6.6.1
 
 Updated the Tpetra NVector interface to support Trilinos 14.

CITATIONS.md

@@ -66,7 +66,7 @@ they are using rather than the combined SUNDIALS online guide:
   author = {Daniel R. Reynolds and David J. Gardner and Carol S. Woodward and Cody J. Balos},
   title  = {User Documentation for ARKODE},
   year   = {2023},
-  note   = {v5.6.1}
+  note   = {v5.6.2}
 }
 ```
 
@@ -75,7 +75,7 @@ they are using rather than the combined SUNDIALS online guide:
   author = {Alan C. Hindmarsh and Radu Serban and Cody J. Balos and David J. Gardner and Daniel R. Reynolds and Carol S. Woodward},
   title  = {User Documentation for CVODE},
   year   = {2023},
-  note   = {v6.6.1}
+  note   = {v6.6.2}
 }
 ```
 
@@ -84,7 +84,7 @@ they are using rather than the combined SUNDIALS online guide:
   author = {Alan C. Hindmarsh and Radu Serban and Cody J. Balos and David J. Gardner and Daniel R. Reynolds and Carol S. Woodward},
   title  = {User Documentation for CVODES},
   year   = {2023},
-  note   = {v6.6.1}
+  note   = {v6.6.2}
 }
 ```
 
@@ -93,7 +93,7 @@ they are using rather than the combined SUNDIALS online guide:
   author = {Alan C. Hindmarsh and Radu Serban and Cody J. Balos and David J. Gardner and Daniel R. Reynolds and Carol S. Woodward},
   title  = {User Documentation for IDA},
   year   = {2023},
-  note   = {v6.6.1}
+  note   = {v6.6.2}
 }
 ```
 
@@ -102,7 +102,7 @@ they are using rather than the combined SUNDIALS online guide:
   author = {Radu Serban and Cosmin Petra and Alan C. Hindmarsh and Cody J. Balos and David J. Gardner and Daniel R. Reynolds and Carol S. Woodward},
   title  = {User Documentation for IDAS},
   year   = {2023},
-  note   = {v5.6.1}
+  note   = {v5.6.2}
 }
 ```
 
@@ -111,6 +111,6 @@ they are using rather than the combined SUNDIALS online guide:
   author = {Alan C. Hindmarsh and Radu Serban and Cody J. Balos and David J. Gardner and Daniel R. Reynolds and Carol S. Woodward},
   title  = {User Documentation for KINSOL},
   year   = {2023},
-  note   = {v6.6.1}
+  note   = {v6.6.2}
 }
 ```

CMakeLists.txt

@@ -43,7 +43,7 @@ include(FindPackageHandleStandardArgs)
 # Set some variables with info on the SUNDIALS project
 set(PACKAGE_BUGREPORT "sundials-users@llnl.gov")
 set(PACKAGE_NAME "SUNDIALS")
-set(PACKAGE_STRING "SUNDIALS 6.6.1")
+set(PACKAGE_STRING "SUNDIALS 6.6.2")
 set(PACKAGE_TARNAME "sundials")
 
 # Set SUNDIALS version numbers
@@ -53,7 +53,7 @@ message(STATUS "SUNDIALS_GIT_VERSION: ${SUNDIALS_GIT_VERSION}")
 # (use "" for the version label if none is needed)
 set(PACKAGE_VERSION_MAJOR "6")
 set(PACKAGE_VERSION_MINOR "6")
-set(PACKAGE_VERSION_PATCH "1")
+set(PACKAGE_VERSION_PATCH "2")
 set(PACKAGE_VERSION_LABEL "")
 
 if(PACKAGE_VERSION_LABEL)
@@ -68,37 +68,37 @@ endif()
 
 # Specify the VERSION and SOVERSION for shared libraries
 
-set(arkodelib_VERSION "5.6.1")
+set(arkodelib_VERSION "5.6.2")
 set(arkodelib_SOVERSION "5")
 
-set(cvodelib_VERSION "6.6.1")
+set(cvodelib_VERSION "6.6.2")
 set(cvodelib_SOVERSION "6")
 
-set(cvodeslib_VERSION "6.6.1")
+set(cvodeslib_VERSION "6.6.2")
 set(cvodeslib_SOVERSION "6")
 
-set(idalib_VERSION "6.6.1")
+set(idalib_VERSION "6.6.2")
 set(idalib_SOVERSION "6")
 
-set(idaslib_VERSION "5.6.1")
+set(idaslib_VERSION "5.6.2")
 set(idaslib_SOVERSION "5")
 
-set(kinsollib_VERSION "6.6.1")
+set(kinsollib_VERSION "6.6.2")
 set(kinsollib_SOVERSION "6")
 
 set(cpodeslib_VERSION "0.0.0")
 set(cpodeslib_SOVERSION "0")
 
-set(nveclib_VERSION "6.6.1")
+set(nveclib_VERSION "6.6.2")
 set(nveclib_SOVERSION "6")
 
-set(sunmatrixlib_VERSION "4.6.1")
+set(sunmatrixlib_VERSION "4.6.2")
 set(sunmatrixlib_SOVERSION "4")
 
-set(sunlinsollib_VERSION "4.6.1")
+set(sunlinsollib_VERSION "4.6.2")
 set(sunlinsollib_SOVERSION "4")
 
-set(sunnonlinsollib_VERSION "3.6.1")
+set(sunnonlinsollib_VERSION "3.6.2")
 set(sunnonlinsollib_SOVERSION "3")
 
 set(sundialslib_VERSION

README.md

@@ -1,5 +1,5 @@
 # SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic equation Solvers #
-### Version 6.6.1 (Sep 2023) ###
+### Version 6.6.2 (Nov 2023) ###
 
 **Center for Applied Scientific Computing, Lawrence Livermore National Laboratory**
 

benchmarks/advection_reaction_3D/kokkos/advection_reaction_3D.hpp

@@ -22,9 +22,9 @@
 #include <cmath>
 #include <mpi.h>
 
-#include <sundials/sundials_context.h>
+#include <sundials/sundials_core.hpp>
 #include <nvector/nvector_mpiplusx.h>
-#include "nvector/nvector_kokkos.hpp"
+#include <nvector/nvector_kokkos.hpp>
 #include "check_retval.h"
 #include "ParallelGrid.hpp"
 

benchmarks/advection_reaction_3D/raja/advection_reaction_3D.hpp

@@ -23,7 +23,7 @@
 #include <mpi.h>
 
 #include <RAJA/RAJA.hpp>
-#include <sundials/sundials_context.h>
+#include <sundials/sundials_core.hpp>
 #include <nvector/nvector_mpiplusx.h>
 
 #include "check_retval.h"

benchmarks/diffusion_2D/diffusion_2D.hpp

@@ -29,6 +29,8 @@
 
 #include "mpi.h"
 
+#include <sundials/sundials_core.hpp>
+
 #if defined(USE_HIP)
 #include "nvector/nvector_mpiplusx.h"
 #include "nvector/nvector_hip.h"

benchmarks/nvector/serial/test_nvector_performance_serial.c

@@ -255,6 +255,7 @@ void ClearCache()
     sum = SUN_RCONST(0.0);
     for (i=0; i<N; i++)
       sum += data[i];
+    (void) sum;
   }
 
   return;

benchmarks/nvector/test_nvector_performance.c

@@ -17,11 +17,6 @@
  * file.
  * -----------------------------------------------------------------*/
 
-/* Minimum POSIX version needed for struct timespec and clock_monotonic */
-#if !defined(_POSIX_C_SOURCE) || (_POSIX_C_SOURCE < 199309L)
-#define _POSIX_C_SOURCE 199309L
-#endif
-
 #include <sundials/sundials_config.h>
 
 /* POSIX timers */

cmake/SundialsBuildOptionsPre.cmake

@@ -71,6 +71,23 @@ sundials_option(SUNDIALS_BUILD_WITH_MONITORING BOOL "${DOCSTR}" OFF)
 set(DOCSTR "Build with simulation profiling capabilities enabled")
 sundials_option(SUNDIALS_BUILD_WITH_PROFILING BOOL "${DOCSTR}" OFF)
 
+# ---------------------------------------------------------------
+# Option to enable/disable error checking
+# ---------------------------------------------------------------
+
+if(CMAKE_BUILD_TYPE MATCHES "Release|RelWithDebInfo")
+  set(_default_err_checks OFF)
+else()
+  set(_default_err_checks ON)
+endif()
+
+set(DOCSTR "Build with error checking enabled/disabled. Enabling error checks may affect performance.")
+sundials_option(SUNDIALS_ENABLE_ERROR_CHECKS BOOL "${DOCSTR}" ${_default_err_checks})
+if(SUNDIALS_ENABLE_ERROR_CHECKS)
+  message(STATUS "SUNDIALS error checking enabled")
+  message(WARNING "SUNDIALS is being built with extensive error checks, performance may be affected.")
+endif()
+
 # ---------------------------------------------------------------
 # Option to enable logging
 # ---------------------------------------------------------------
@@ -277,12 +294,21 @@ sundials_option(SUNDIALS_TEST_OUTPUT_DIR PATH
 sundials_option(SUNDIALS_TEST_ANSWER_DIR PATH
   "Location of testing answer files" "" ADVANCED)
 
-sundials_option(SUNDIALS_TEST_PROFILE BOOL 
+sundials_option(SUNDIALS_TEST_PROFILE BOOL
   "Use Caliper to profile SUNDIALS tests" OFF ADVANCED)
 
 sundials_option(SUNDIALS_TEST_NODIFF BOOL
   "Disable output comparison in the regression test suite" OFF ADVANCED)
-
+
+sundials_option(SUNDIALS_TEST_CONTAINER_EXE PATH
+  "Path to docker or podman" "" ADVANCED)
+
+sundials_option(SUNDIALS_TEST_CONTAINER_RUN_EXTRA_ARGS STRING
+  "Extra arguments to pass to docker/podman run command" "--tls-verify=false" ADVANCED)
+
+sundials_option(SUNDIALS_TEST_CONTAINER_MNT STRING
+  "Path to project root inside the container" "/sundials" ADVANCED)
+
 # Include development examples in regression tests
 sundials_option(SUNDIALS_TEST_DEVTESTS BOOL
   "Include development tests in make test" OFF ADVANCED)
@@ -291,6 +317,11 @@ sundials_option(SUNDIALS_TEST_DEVTESTS BOOL
 sundials_option(SUNDIALS_TEST_UNITTESTS BOOL
   "Include unit tests in make test" OFF ADVANCED)
 
+# Include unit tests in regression tests
+sundials_option(SUNDIALS_TEST_ENABLE_GTEST BOOL
+  "Disable GTest unit tests" ON ADVANCED)
+
+
 sundials_option(SUNDIALS_SCHEDULER_COMMAND STRING "Job scheduler command to use to launch SUNDIALS MPI tests" "" ADVANCED)
 
 sundials_option(SUNDIALS_CALIPER_OUTPUT_DIR PATH "Location to write caliper output files" "" ADVANCED)