Automate State Initialization

single-node-refactor/input-sgtm-test.yaml

@@ -0,0 +1,109 @@
+# num_dims: 3
+
+dynamic_options:
+    time_final: 1.0
+    dt_min: 1.e-8
+    dt_max: 1.e-2
+    dt_start: 1.e-5
+    cycle_stop: 1
+
+
+# mesh_options:
+#     source: file
+#     file_path: /var/tmp/repos/Fierro/fork/Fierro/testing/meshes/mesh_Sedov_8.geo
+
+mesh_options:
+    source: generate
+    num_dims: 3
+    type: box
+    origin: [0.0, 0.0, 0.0]
+    length: [10.0, 10.0, 10.0]
+    num_elems: [10, 10, 10]
+
+
+output_options:
+    timer_output_level: thorough
+    output_file_format: vtk
+    graphics_time_step: 1.0
+    # graphics_iteration_step: 10
+
+solver_options:
+  - solver:
+        method: SGTM3D
+        # solver_vars:
+        #  - blah
+        #  - blah
+        #  - blah
+
+# boundary_conditions:
+#     # Tag X plane
+#     - boundary_condition:
+#         solver: SGH3D
+#         geometry: x_plane
+#         direction: x_dir
+#         value: 0.0
+#         type: reflected_velocity
+
+
+#     # Tag Y plane
+#     - boundary_condition:
+#         solver: SGH3D
+#         geometry: y_plane
+#         direction: y_dir
+#         value: 0.0
+#         type: reflected_velocity
+
+#     # Tag z plane
+#     - boundary_condition:
+#         solver: SGH3D
+#         geometry: z_plane
+#         direction: z_dir
+#         value: 0.0
+#         type: reflected_velocity
+
+
+
+materials:
+    - material:
+        id: 0
+        eos_model_type: decoupled
+        eos_model: gamma_law_gas
+        # strength_model: none
+        q1: 1.0
+        q2: 1.333
+        q1ex: 1.0
+        q2ex: 1.333
+        eos_global_vars:
+            - 1.666666666666667
+            - 1.0E-14
+            - 1.0
+
+regions:
+    - fill_volume:
+        type: global
+        material_id: 0
+        den: 1.0
+        sie: 1.e-10
+        velocity: cartesian
+        u: 0.0
+        v: 0.0
+        w: 0.0
+
+
+
+    # energy source initial conditions
+    # - fill_volume:
+    #     type: sphere
+    #     origin: [0.0, 0.0, 0.0]
+    #     radius1: 0.0
+    #     radius2: 0.1
+    #     material_id: 0
+    #     den: 1.0
+    #     # ie: 0.25833839995946534
+    #     sie: 61.67375002 # 963.652344
+    #     velocity: cartesian
+    #     u: 0.0
+    #     v: 0.0
+    #     w: 0.0
+
+

single-node-refactor/src/CMakeLists.txt

@@ -69,5 +69,9 @@ add_subdirectory(Solvers/SGH_solver_3D)
 include_directories(Solvers/SGH_solver_rz/include)
 add_subdirectory(Solvers/SGH_solver_rz)
 
-add_executable(Fierro main.cpp driver.cpp solver.cpp ${COMMON_Files} ${YAML_SRC_Files} ${SGH_3D_SRC_Files} ${SGH_RZ_SRC_Files})
+# Add SGTM Solver
+include_directories(Solvers/SGTM_solver_3D/include)
+add_subdirectory(Solvers/SGTM_solver_3D)
+
+add_executable(Fierro main.cpp driver.cpp solver.cpp ${COMMON_Files} ${YAML_SRC_Files} ${SGH_3D_SRC_Files} ${SGH_RZ_SRC_Files} ${SGTM_3D_SRC_Files})
 target_link_libraries(Fierro PRIVATE matar Kokkos::kokkos) 

single-node-refactor/src/Solvers/SGH_solver_3D/CMakeLists.txt

@@ -29,6 +29,7 @@ ${CMAKE_CURRENT_SOURCE_DIR}/src/momentum.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/src/properties.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/src/sgh_execute.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/src/time_integration.cpp
+${CMAKE_CURRENT_SOURCE_DIR}/src/sgh_initialize.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/src/sgh_setup.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/include/sgh_solver_3D.h
 PARENT_SCOPE

single-node-refactor/src/Solvers/SGH_solver_3D/include/sgh_solver_3D.h

@@ -36,19 +36,66 @@ ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 #define SGH3D_SOLVER_H
 
 #include "solver.h"
+#include "state.h"
 
 // Forward declare structs
 struct SimulationParameters_t;
 struct Material_t;
 struct Mesh_t;
 struct BoundaryCondition_t;
-struct State_t;
+// struct State_t;
 struct RegionFill_t;
 struct RegionFill_host_t;
-struct corners_in_mat_t;
+// struct corners_in_mat_t;
 
 using namespace mtr; // matar namespace
 
+
+namespace SGH3D_State
+{
+    // Node state to be initialized for the SGH solver
+    static const std::vector<node_state> required_node_state = 
+    { 
+        node_state::coords,
+        node_state::velocity,
+        node_state::mass,
+        node_state::temp // Note, remove this, unused WIP
+    };
+
+    // Gauss point state to be initialized for the SGH solver
+    static const std::vector<gauss_pt_state> required_gauss_pt_state = 
+    { 
+        gauss_pt_state::volume,
+        gauss_pt_state::divergence_velocity
+    };
+
+    // Material point state to be initialized for the SGH solver
+    static const std::vector<material_pt_state> required_material_pt_state = 
+    { 
+        material_pt_state::density,
+        material_pt_state::pressure,
+        material_pt_state::stress,
+        material_pt_state::sound_speed,
+        material_pt_state::mass,
+        material_pt_state::volume_fraction,
+        material_pt_state::specific_internal_energy,
+        material_pt_state::eroded_flag
+    };
+
+    // Material corner state to be initialized for the SGH solver
+    static const std::vector<material_corner_state> required_material_corner_state = 
+    { 
+        material_corner_state::force
+    };
+
+    // Corner state to be initialized for the SGH solver
+    static const std::vector<corner_state> required_corner_state = 
+    { 
+        corner_state::force,
+        corner_state::mass
+    };
+}
+
 /////////////////////////////////////////////////////////////////////////////
 ///
 /// \class SGH3D
@@ -75,10 +122,7 @@ class SGH3D : public Solver
                     Material_t& Materials, 
                     Mesh_t& mesh, 
                     BoundaryCondition_t& Boundary,
-                    State_t& State) const override
-    {
-        // stuff goes here
-    }
+                    State_t& State) const override;
 
     /////////////////////////////////////////////////////////////////////////////
     ///

single-node-refactor/src/Solvers/SGH_solver_3D/src/sgh_execute.cpp

@@ -144,7 +144,18 @@ void SGH3D::execute(SimulationParameters_t& SimulationParamaters,
 
     // Write initial state at t=0
     printf("Writing outputs to file at %f \n", graphics_time);
-    mesh_writer.write_mesh(mesh, State, SimulationParamaters, time_value, graphics_times);
+    mesh_writer.write_mesh(
+        mesh, 
+        State, 
+        SimulationParamaters, 
+        time_value, 
+        graphics_times,
+        SGH3D_State::required_node_state,
+        SGH3D_State::required_gauss_pt_state,
+        SGH3D_State::required_material_pt_state);
+
+
+
     graphics_time = time_value + graphics_dt_ival;
 
     // loop over the max number of time integration cycles
@@ -360,7 +371,10 @@ void SGH3D::execute(SimulationParameters_t& SimulationParamaters,
                                    State,
                                    SimulationParamaters,
                                    time_value,
-                                   graphics_times);
+                                   graphics_times,
+                                   SGH3D_State::required_node_state,
+                                   SGH3D_State::required_gauss_pt_state,
+                                   SGH3D_State::required_material_pt_state);
 
             graphics_time = time_value + graphics_dt_ival;
 

single-node-refactor/src/Solvers/SGH_solver_3D/src/sgh_initialize.cpp

@@ -0,0 +1,58 @@
+/**********************************************************************************************
+© 2020. Triad National Security, LLC. All rights reserved.
+This program was produced under U.S. Government contract 89233218CNA000001 for Los Alamos
+National Laboratory (LANL), which is operated by Triad National Security, LLC for the U.S.
+Department of Energy/National Nuclear Security Administration. All rights in the program are
+reserved by Triad National Security, LLC, and the U.S. Department of Energy/National Nuclear
+Security Administration. The Government is granted for itself and others acting on its behalf a
+nonexclusive, paid-up, irrevocable worldwide license in this material to reproduce, prepare
+derivative works, distribute copies to the public, perform publicly and display publicly, and
+to permit others to do so.
+This program is open source under the BSD-3 License.
+Redistribution and use in source and binary forms, with or without modification, are permitted
+provided that the following conditions are met:
+1.  Redistributions of source code must retain the above copyright notice, this list of
+conditions and the following disclaimer.
+2.  Redistributions in binary form must reproduce the above copyright notice, this list of
+conditions and the following disclaimer in the documentation and/or other materials
+provided with the distribution.
+3.  Neither the name of the copyright holder nor the names of its contributors may be used
+to endorse or promote products derived from this software without specific prior
+written permission.
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS
+IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
+PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR
+CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
+EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
+PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
+OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
+WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
+OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
+ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+**********************************************************************************************/
+
+#include "sgh_solver_3D.h"
+#include "state.h"
+#include "mesh.h"
+#include "simulation_parameters.h"
+
+void SGH3D::initialize(SimulationParameters_t& SimulationParamaters, 
+                	   Material_t& Materials, 
+                	   Mesh_t& mesh, 
+                	   BoundaryCondition_t& Boundary,
+                	   State_t& State) const
+{
+	int num_nodes = mesh.num_nodes;
+    int num_gauss_pts = mesh.num_elems;
+    int num_corners = mesh.num_corners;
+    int rk_num_bins = SimulationParamaters.dynamic_options.rk_num_stages;
+    int num_dim = mesh.num_dims;
+
+    State.node.initialize(rk_num_bins, num_nodes, num_dim, SGH3D_State::required_node_state);
+    State.GaussPoints.initialize(rk_num_bins, num_gauss_pts, num_dim, SGH3D_State::required_gauss_pt_state);
+    State.corner.initialize(num_corners, num_dim, SGH3D_State::required_corner_state);
+
+    // NOTE: Material points and material corners are initialize in sgh_setup after calculating the material->mesh maps
+
+}

single-node-refactor/src/Solvers/SGH_solver_3D/src/sgh_setup.cpp

@@ -39,6 +39,7 @@ ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
 #include "boundary_conditions.h"
 #include "state.h"
 #include "simulation_parameters.h"
+#include "geometry_new.h"
 
 /////////////////////////////////////////////////////////////////////////////
 ///
@@ -265,6 +266,9 @@ void SGH3D::setup(SimulationParameters_t& SimulationParamaters,
 
     const size_t rk_num_bins = SimulationParamaters.dynamic_options.rk_num_bins;
 
+    // Calculate element volume
+    geometry::get_vol(State.GaussPoints.vol, State.node.coords, mesh);
+
     // create temporary state fields
     // Painting routine requires only 1 material per GaussPoint
     DCArrayKokkos<double> GaussPoint_den(num_elems);
@@ -345,8 +349,8 @@ void SGH3D::setup(SimulationParameters_t& SimulationParamaters,
         size_t num_corners_for_mat = num_elems_for_mat * mesh.num_nodes_in_elem;
 
         State.MaterialToMeshMaps(mat_id).initialize(num_elems_for_mat);
-        State.MaterialPoints(mat_id).initialize(rk_num_bins, num_points_for_mat, 3); // aways 3D, even for 2D-RZ calcs
-        State.MaterialCorners(mat_id).initialize(num_corners_for_mat, mesh.num_dims);
+        State.MaterialPoints(mat_id).initialize(rk_num_bins, num_points_for_mat, mesh.num_dims, SGH3D_State::required_material_pt_state);
+        State.MaterialCorners(mat_id).initialize(num_corners_for_mat, mesh.num_dims, SGH3D_State::required_material_corner_state);
         // zones are not used
     } // end for mat_id
 

single-node-refactor/src/Solvers/SGH_solver_rz/CMakeLists.txt

@@ -30,6 +30,7 @@ ${CMAKE_CURRENT_SOURCE_DIR}/src/properties_rz.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/src/sgh_execute_rz.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/src/time_integration_rz.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/src/sgh_setup_rz.cpp
+${CMAKE_CURRENT_SOURCE_DIR}/src/sgh_initialize_rz.cpp
 ${CMAKE_CURRENT_SOURCE_DIR}/include/sgh_solver_rz.h
 PARENT_SCOPE
 )