Add more idaklu solver options (number 2) (pybamm-team#4282)

* IDAKLU options updates * format * update defaults and docstrings * Update CHANGELOG.md * Update test_idaklu_solver.py * Move changelog to `Unreleased` * Update CHANGELOG.md --------- Co-authored-by: kratman <[email protected]> Co-authored-by: Eric G. Kratz <[email protected]>
js1tr3 · Jul 24, 2024 · ba39170 · ba39170
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -1,5 +1,9 @@
 # [Unreleased](https://github.com/pybamm-team/PyBaMM/)
 
+## Features
+
+- Added additional user-configurable options to the (`IDAKLUSolver`) and adjusted the default values to improve performance. ([#4282](https://github.com/pybamm-team/PyBaMM/pull/4282))
+
 # [v24.5rc2](https://github.com/pybamm-team/PyBaMM/tree/v24.5rc2) - 2024-07-12
 
 ## Features

diff --git a/pybamm/solvers/c_solvers/idaklu/Expressions/Base/ExpressionSet.hpp b/pybamm/solvers/c_solvers/idaklu/Expressions/Base/ExpressionSet.hpp
@@ -31,7 +31,7 @@ class ExpressionSet
     const int n_s,
     const int n_e,
     const int n_p,
-    const Options& options)
+    const SetupOptions& options)
       : number_of_states(n_s),
         number_of_events(n_e),
         number_of_parameters(n_p),
@@ -46,7 +46,7 @@ class ExpressionSet
         events(events),
         tmp_state_vector(number_of_states),
         tmp_sparse_jacobian_data(jac_times_cjmass_nnz),
-        options(options)
+        setup_opts(options)
       {};
 
   int number_of_states;
@@ -73,7 +73,7 @@ class ExpressionSet
   std::vector<int64_t> jac_times_cjmass_colptrs;  // cppcheck-suppress unusedStructMember
   std::vector<realtype> inputs;  // cppcheck-suppress unusedStructMember
 
-  Options options;
+  SetupOptions setup_opts;
 
   virtual realtype *get_tmp_state_vector() = 0;
   virtual realtype *get_tmp_sparse_jacobian_data() = 0;

diff --git a/pybamm/solvers/c_solvers/idaklu/Expressions/Casadi/CasadiFunctions.hpp b/pybamm/solvers/c_solvers/idaklu/Expressions/Casadi/CasadiFunctions.hpp
@@ -76,7 +76,7 @@ class CasadiFunctions : public ExpressionSet<CasadiFunction>
     const std::vector<BaseFunctionType*>& var_fcns,
     const std::vector<BaseFunctionType*>& dvar_dy_fcns,
     const std::vector<BaseFunctionType*>& dvar_dp_fcns,
-    const Options& options
+    const SetupOptions& setup_opts
   ) :
     rhs_alg_casadi(rhs_alg),
     jac_times_cjmass_casadi(jac_times_cjmass),
@@ -98,7 +98,7 @@ class CasadiFunctions : public ExpressionSet<CasadiFunction>
       static_cast<Expression*>(&sens_casadi),
       static_cast<Expression*>(&events_casadi),
       n_s, n_e, n_p,
-      options)
+      setup_opts)
   {
     // convert BaseFunctionType list to CasadiFunction list
     // NOTE: You must allocate ALL std::vector elements before taking references

diff --git a/pybamm/solvers/c_solvers/idaklu/Expressions/IREE/IREEFunctions.hpp b/pybamm/solvers/c_solvers/idaklu/Expressions/IREE/IREEFunctions.hpp
@@ -59,7 +59,7 @@ class IREEFunctions : public ExpressionSet<IREEFunction>
     const std::vector<BaseFunctionType*>& var_fcns,
     const std::vector<BaseFunctionType*>& dvar_dy_fcns,
     const std::vector<BaseFunctionType*>& dvar_dp_fcns,
-    const Options& options
+    const SetupOptions& setup_opts
   ) :
     iree_init_status(iree_init()),
     rhs_alg_iree(rhs_alg),
@@ -82,7 +82,7 @@ class IREEFunctions : public ExpressionSet<IREEFunction>
       static_cast<Expression*>(&sens_iree),
       static_cast<Expression*>(&events_iree),
       n_s, n_e, n_p,
-      options)
+      setup_opts)
   {
     // convert BaseFunctionType list to IREEFunction list
     // NOTE: You must allocate ALL std::vector elements before taking references

diff --git a/pybamm/solvers/c_solvers/idaklu/IDAKLUSolverOpenMP.hpp b/pybamm/solvers/c_solvers/idaklu/IDAKLUSolverOpenMP.hpp
@@ -64,7 +64,8 @@ class IDAKLUSolverOpenMP : public IDAKLUSolver
   std::vector<realtype> res;
   std::vector<realtype> res_dvar_dy;
   std::vector<realtype> res_dvar_dp;
-  Options options;
+  SetupOptions setup_opts;
+  SolverOptions solver_opts;
 
 #if SUNDIALS_VERSION_MAJOR >= 6
   SUNContext sunctx;
@@ -84,7 +85,9 @@ class IDAKLUSolverOpenMP : public IDAKLUSolver
     int jac_bandwidth_lower,
     int jac_bandwidth_upper,
     std::unique_ptr<ExprSet> functions,
-    const Options& options);
+    const SetupOptions &setup_opts,
+    const SolverOptions &solver_opts
+  );
 
   /**
    * @brief Destructor
@@ -139,6 +142,16 @@ class IDAKLUSolverOpenMP : public IDAKLUSolver
    * @brief Allocate memory for matrices (noting appropriate matrix format/types)
    */
   void SetMatrix();
+
+  /**
+   * @brief Apply user-configurable IDA options
+   */
+  void SetSolverOptions();
+
+  /**
+   * @brief Check the return flag for errors
+   */
+  void CheckErrors(int const & flag);
 };
 
 #include "IDAKLUSolverOpenMP.inl"