Merge branch 'develop' into bugfix/pcg_parallel_directory

CHANGELOG.md

@@ -1,5 +1,22 @@
 # SUNDIALS Changelog
 
+## Changes to SUNDIALS in release 6.6.0
+
+Added the second order IMEX method from Giraldo, Kelly, and Constantinescu 2013
+as the default second order IMEX method in ARKStep. The explicit table is given
+by `ARKODE_ARK2_ERK_3_1_2` and the implicit table by `ARKODE_ARK2_DIRK_3_1_2`.
+
+Updated the F2003 utility routines `SUNDIALSFileOpen` and `SUNDIALSFileClose`
+to support user specification of `stdout` and `stderr` strings for the output
+file names.
+
+Updated CVODE, CVODES and ARKODE default behavior when returning the solution when
+the internal time has reached a user-specified stop time.  Previously, the output
+solution was interpolated to the value of `tstop`; the default is now to copy the
+internal solution vector.  Users who wish to revert to interpolation may call a new
+routine `CVodeSetInterpolateStopTime`, `ARKStepSetInterpolateStopTime`,
+`ERKStepSetInterpolateStopTime`, or `MRIStepSetInterpolateStopTime`.
+
 ## Changes to SUNDIALS in release 6.5.1
 
 Added the functions `ARKStepClearStopTime`, `ERKStepClearStopTime`,

benchmarks/CMakeLists.txt

@@ -26,12 +26,9 @@ sundials_option(BENCHMARK_NVECTOR BOOL "NVector benchmarks are on" ON)
 # Add specific benchmarks
 #----------------------------------------
 
-if(ENABLE_MPI AND ENABLE_RAJA)
-  add_subdirectory(advection_reaction_3D)
-endif()
-
 if(ENABLE_MPI)
-  add_subdirectory(diffusion_2D)
+add_subdirectory(diffusion_2D)
+add_subdirectory(advection_reaction_3D)
 endif()
 
 # Add the nvector benchmarks

benchmarks/advection_reaction_3D/CMakeLists.txt

@@ -1,5 +1,5 @@
 # ---------------------------------------------------------------
-# Programmer(s):  Cody J. Balos @ LLNL
+# Programmer(s): Daniel R. Reynolds @ SMU
 # ---------------------------------------------------------------
 # SUNDIALS Copyright Start
 # Copyright (c) 2002-2023, Lawrence Livermore National Security
@@ -12,135 +12,10 @@
 # SUNDIALS Copyright End
 # ---------------------------------------------------------------
 
-if(BUILD_ARKODE AND BUILD_CVODE AND BUILD_IDA)
-
-  if((RAJA_BACKENDS MATCHES "TARGET_OPENMP") OR (RAJA_BACKENDS MATCHES "OPENMP"))
-    set(OTHER_LIBS OpenMP::OpenMP_CXX)
-  endif()
-
-  # ----------------------------------------------------------------------------
-  # MPI only
-  # ----------------------------------------------------------------------------
-
-  add_executable(advection_reaction_3D
-    advection_reaction_3D.cpp
-    arkode_driver.cpp
-    cvode_driver.cpp
-    ida_driver.cpp
-    rhs3D.hpp
-    ParallelGrid.hpp
-    backends.hpp)
-
-  # ensure the linker language is reset to CXX
-  set_target_properties(advection_reaction_3D PROPERTIES LINKER_LANGUAGE CXX)
-
-  target_include_directories(advection_reaction_3D
-    PRIVATE
-    ${PROJECT_SOURCE_DIR}/utilities
-    ${MPI_CXX_INCLUDE_DIRS})
-
-  target_link_libraries(advection_reaction_3D
-    PRIVATE
-    sundials_arkode
-    sundials_cvode
-    sundials_ida
-    sundials_nvecmpiplusx
-    sundials_nvecserial
-    RAJA
-    ${MPI_CXX_LIBRARIES}
-    ${OTHER_LIBS})
-
-  install(TARGETS advection_reaction_3D
-    DESTINATION "${BENCHMARKS_INSTALL_PATH}/advection_reaction_3D")
-
-  install(FILES README.md
-    DESTINATION "${BENCHMARKS_INSTALL_PATH}/advection_reaction_3D")
-
-  # ----------------------------------------------------------------------------
-  # MPI + CUDA
-  # ----------------------------------------------------------------------------
-
-  if(BUILD_NVECTOR_CUDA)
-
-    set_source_files_properties(advection_reaction_3D.cpp
-      PROPERTIES LANGUAGE CUDA)
-    set_source_files_properties(arkode_driver.cpp PROPERTIES LANGUAGE CUDA)
-    set_source_files_properties(cvode_driver.cpp PROPERTIES LANGUAGE CUDA)
-    set_source_files_properties(ida_driver.cpp PROPERTIES LANGUAGE CUDA)
-
-    add_executable(advection_reaction_3D_mpicuda
-      advection_reaction_3D.cpp
-      arkode_driver.cpp
-      cvode_driver.cpp
-      ida_driver.cpp
-      rhs3D.hpp
-      ParallelGrid.hpp
-      backends.hpp)
-
-    # ensure the linker language is reset to CXX
-    set_target_properties(advection_reaction_3D_mpicuda
-      PROPERTIES LINKER_LANGUAGE CXX)
-
-    target_include_directories(advection_reaction_3D_mpicuda
-      PRIVATE
-      ${PROJECT_SOURCE_DIR}/utilities
-      ${MPI_CXX_INCLUDE_DIRS})
-
-    target_link_libraries(advection_reaction_3D_mpicuda
-      PRIVATE
-      sundials_arkode
-      sundials_cvode
-      sundials_ida
-      sundials_nvecmpiplusx
-      sundials_nveccuda
-      RAJA
-      ${MPI_CXX_LIBRARIES}
-      ${OTHER_LIBS})
-
-    target_compile_definitions(advection_reaction_3D_mpicuda PRIVATE USE_CUDA_NVEC)
-
-    install(TARGETS advection_reaction_3D_mpicuda
-      DESTINATION "${BENCHMARKS_INSTALL_PATH}/advection_reaction_3D")
-
-  endif()
-
-  # ----------------------------------------------------------------------------
-  # MPI + HIP
-  # ----------------------------------------------------------------------------
-
-  if(BUILD_NVECTOR_HIP)
-
-    add_executable(advection_reaction_3D_mpihip
-      advection_reaction_3D.cpp
-      arkode_driver.cpp
-      cvode_driver.cpp
-      ida_driver.cpp
-      rhs3D.hpp
-      ParallelGrid.hpp
-      backends.hpp)
-
-    target_include_directories(advection_reaction_3D_mpihip
-      PRIVATE
-      ${PROJECT_SOURCE_DIR}/utilities
-      ${MPI_CXX_INCLUDE_DIRS})
-
-    target_link_libraries(advection_reaction_3D_mpihip
-      PRIVATE
-      sundials_arkode
-      sundials_cvode
-      sundials_ida
-      sundials_nvecmpiplusx
-      sundials_nvechip
-      RAJA
-      hip::device
-      ${MPI_CXX_LIBRARIES}
-      ${OTHER_LIBS})
-
-    target_compile_definitions(advection_reaction_3D_mpihip PRIVATE USE_HIP_NVEC)
-
-    install(TARGETS advection_reaction_3D_mpihip
-      DESTINATION "${BENCHMARKS_INSTALL_PATH}/advection_reaction_3D")
-
-  endif()
+if(ENABLE_RAJA)
+  add_subdirectory(raja)
+endif()
 
+if(ENABLE_KOKKOS AND BUILD_NVECTOR_KOKKOS)
+  add_subdirectory(kokkos)
 endif()

benchmarks/advection_reaction_3D/kokkos/CMakeLists.txt

@@ -0,0 +1,61 @@
+# ---------------------------------------------------------------
+# Programmer(s):  Daniel R. Reynolds @ SMU
+# ---------------------------------------------------------------
+# SUNDIALS Copyright Start
+# Copyright (c) 2002-2023, Lawrence Livermore National Security
+# and Southern Methodist University.
+# All rights reserved.
+#
+# See the top-level LICENSE and NOTICE files for details.
+#
+# SPDX-License-Identifier: BSD-3-Clause
+# SUNDIALS Copyright End
+# ---------------------------------------------------------------
+
+# Add the build targets for each backend
+if(BUILD_ARKODE AND BUILD_CVODE AND BUILD_IDA)
+  foreach(backend ${KOKKOS_EXAMPLES_BACKENDS})
+
+    # set benchmark target name
+    set(benchmark_target "advection_reaction_3D_kokkos.${backend}")
+
+    # benchmark source files
+    add_executable(${benchmark_target}
+      advection_reaction_3D.cpp
+      arkode_driver.cpp
+      cvode_driver.cpp
+      ida_driver.cpp
+      rhs3D.hpp
+      ParallelGrid.hpp
+      check_retval.h)
+
+      # which backend to use
+      target_compile_definitions(${benchmark_target} PRIVATE USE_${backend})
+
+      # directories to include
+      target_include_directories(${benchmark_target}
+        PRIVATE
+        ${PROJECT_SOURCE_DIR}/utilities
+        ${MPI_CXX_INCLUDE_DIRS}
+      )
+
+      # libraries to link against
+      target_link_libraries(${benchmark_target}
+        PRIVATE
+        sundials_arkode
+        sundials_cvode
+        sundials_ida
+        sundials_nvecmpiplusx
+        sundials_nveckokkos
+        ${MPI_CXX_LIBRARIES}
+        ${EXE_EXTRA_LINK_LIBS}
+      )
+
+    install(TARGETS ${benchmark_target}
+      DESTINATION "${BENCHMARKS_INSTALL_PATH}/advection_reaction_3D/kokkos")
+
+    install(FILES README.md ../scripts/compare_error.py ../scripts/compute_error.py ../scripts/pickle_solution_output.py
+      DESTINATION "${BENCHMARKS_INSTALL_PATH}/advection_reaction_3D/kokkos")
+
+  endforeach()
+endif()