Add interface to partitioned DAE integrator (#614)

* Add interface to partitioned DAE integrator

* Add support for partitioned DAE tests in CI (#623)

* Add CMake guards for PARTITIONED_DAE.

* Add ^sundials@partitioned-dae CI jobs.

* Patch out missing partitioned-dae example in SUNDIALS spack package.

---------

Co-authored-by: Steven-Roberts <Steven-Roberts@users.noreply.github.com>
Co-authored-by: Nicholson Koukpaizan <72402802+nkoukpaizan@users.noreply.github.com>

Author: Steven-Roberts

.github/workflows/spack_default_build.yaml

@@ -101,9 +101,17 @@ jobs:
         spack_spec:
           - gridkit@develop ~asan~enzyme~ipopt~klu~resolve~sundials~ubsan
           - gridkit@develop ~asan~enzyme~ipopt~klu~resolve+sundials~ubsan
+            ^sundials@7.8.0
           - gridkit@develop +asan+enzyme+ipopt+klu+resolve+sundials~ubsan build_type=RelWithDebInfo
             ^enzyme@0.0.206
+            ^sundials@7.8.0
           - gridkit@develop +asan~enzyme+ipopt+klu+resolve+sundials+ubsan
+            ^sundials@7.8.0
+          - gridkit@develop +asan+enzyme+ipopt+klu+resolve+sundials~ubsan build_type=RelWithDebInfo
+            ^enzyme@0.0.206
+            ^sundials@partitioned-dae
+          - gridkit@develop +asan~enzyme+ipopt+klu+resolve+sundials+ubsan
+            ^sundials@partitioned-dae
 
     steps:
       - name: Add LLVM

CMakeLists.txt

@@ -147,6 +147,23 @@ if(GRIDKIT_ENABLE_SUNDIALS)
         CACHE INTERNAL BOOL "Sparse solver enabled in SUNDIALS.")
     message(STATUS "KLU support enabled in SUNDIALS.")
   endif()
+  # SUNDIALS::arkode is an alias without include directories. Revisit once SUNDIALS reports partitioned DAE
+  # support itself.
+  if(TARGET SUNDIALS::arkode_shared)
+    get_target_property(_sundials_arkode_includes SUNDIALS::arkode_shared
+                        INTERFACE_INCLUDE_DIRECTORIES)
+  else()
+    get_target_property(_sundials_arkode_includes SUNDIALS::arkode_static
+                        INTERFACE_INCLUDE_DIRECTORIES)
+  endif()
+  find_file(
+    GRIDKIT_SUNDIALS_PDAESTEP_HEADER arkode/arkode_pdaestep.h
+    PATHS ${_sundials_arkode_includes}
+    NO_DEFAULT_PATH)
+  if(GRIDKIT_SUNDIALS_PDAESTEP_HEADER)
+    set(GRIDKIT_ENABLE_SUNDIALS_PARTITIONED_DAE ON)
+    message(STATUS "Partitioned DAE support enabled in SUNDIALS.")
+  endif()
 endif()
 
 if(GRIDKIT_ENABLE_ZMQ)

GridKit/Definitions.hpp.in

@@ -4,6 +4,7 @@
 #cmakedefine GRIDKIT_ENABLE_OPENMP
 #cmakedefine GRIDKIT_ENABLE_THREADS
 #cmakedefine GRIDKIT_ENABLE_SUNDIALS_SPARSE
+#cmakedefine GRIDKIT_ENABLE_SUNDIALS_PARTITIONED_DAE
 #cmakedefine GRIDKIT_ENABLE_DEVELOPER_MODE
 
 #define GRIDKIT_VERSION "@GridKit_VERSION@"

GridKit/Solver/Dynamic/CMakeLists.txt

@@ -5,35 +5,54 @@
 #    - Cameron Rutherford <cameron.rutherford@pnnl.gov>
 #]]
 
+set(_dynamic_solver_sources Ida.cpp)
+set(_dynamic_solver_headers Ida.hpp DynamicSolver.hpp)
+set(_dynamic_solver_libraries
+    PUBLIC
+    SUNDIALS::nvecserial
+    PUBLIC
+    SUNDIALS::idas
+    PUBLIC
+    GridKit::definitions
+    PUBLIC
+    GridKit::utilities_logger
+    PUBLIC
+    GridKit::sparse_matrix
+    GridKit::dense_vector)
+
 if(GRIDKIT_ENABLE_SUNDIALS_SPARSE)
+  list(
+    APPEND
+    _dynamic_solver_libraries
+    PUBLIC
+    SUNDIALS::sunlinsolklu)
+endif()
+
+gridkit_add_library(
+  solvers_dyn
+  SOURCES ${_dynamic_solver_sources}
+  HEADERS ${_dynamic_solver_headers}
+  LINK_LIBRARIES ${_dynamic_solver_libraries})
+
+# PDAEStep creates IDA memory, whereas Ida.cpp requires IDAS for adjoints.
+# IDA and IDAS export the same IDA* symbols but have incompatible memory layouts.
+# Keep their dependencies separate so partition calls bind to the IDA backend.
+if(GRIDKIT_ENABLE_SUNDIALS_PARTITIONED_DAE)
   gridkit_add_library(
-    solvers_dyn
-    SOURCES Ida.cpp
-    HEADERS Ida.hpp DynamicSolver.hpp
+    solvers_partitioned
+    SOURCES Partitioned.cpp
+    HEADERS Partitioned.hpp
     LINK_LIBRARIES
       PUBLIC
-      SUNDIALS::nvecserial
-      PUBLIC
-      SUNDIALS::idas
-      PUBLIC
-      SUNDIALS::sunlinsolklu
-      PUBLIC
-      GridKit::definitions
-      PUBLIC
-      GridKit::utilities_logger
+      SUNDIALS::ida
       PUBLIC
-      GridKit::sparse_matrix
-      GridKit::dense_vector)
-else()
-  gridkit_add_library(
-    solvers_dyn
-    SOURCES Ida.cpp
-    HEADERS Ida.hpp DynamicSolver.hpp
-    LINK_LIBRARIES
+      SUNDIALS::arkode
       PUBLIC
       SUNDIALS::nvecserial
       PUBLIC
-      SUNDIALS::idas
+      SUNDIALS::nvecmanyvector
+      PUBLIC
+      SUNDIALS::sunlinsolspgmr
       PUBLIC
       GridKit::definitions
       PUBLIC