New radiation test cases

.github/workflows/c-cpp.yml

@@ -28,8 +28,10 @@ jobs:
       - name: Run unit tests
         run: |
           cd build
+          ./unit_tests 
+
           OMP_NUM_THREADS=1 ./unit_tests -r junit > unit_tests_report.xml
 
       - name: Code coverage
         run: |
-          cpp-coveralls -r . -b "build/" -i "src/" -i "include/" --exclude "ext/" --gcov-options "\-lp" --verbose
+          cpp-coveralls -r . -b "build/" -i "src/" -i "include/" --exclude "ext/" --gcov-options "\-lp" --verbose

.gitignore

@@ -1,4 +1,5 @@
 ### Project specific ###
+*.con
 *.cfg
 bin/*
 *.su2

CMakeLists.txt

@@ -8,6 +8,7 @@ option( BUILD_DOC "builds Doxygen and Sphinx documentation" OFF )
 option( BUILD_UNITY "enables unity build for faster compile times" ON )
 option( BUILD_CODE_COV "enables compiler option required for code coverage analysis" OFF )
 option( BUILD_ML "enables build with tensorflow backend access" OFF )
+option( BUILD_MPI "enables build with MPI access" OFF )
 
 #################################################
 
@@ -31,8 +32,10 @@ set(CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake ${CMAKE_MODULE_PATH})
 
 find_package( OpenMP REQUIRED )
 
-find_package( MPI REQUIRED )
-include_directories( ${MPI_INCLUDE_PATH} )
+if( BUILD_MPI )
+    find_package( MPI REQUIRED )
+    include_directories( ${MPI_INCLUDE_PATH} )
+endif()
 
 find_package( LAPACK REQUIRED )
 include_directories( ${LAPACK_INCLUDE_DIR} )
@@ -41,9 +44,6 @@ find_package( BLAS )
 
 find_package( VTK COMPONENTS vtkIOGeometry vtkFiltersCore REQUIRED )
 
-find_package( Python3 COMPONENTS Interpreter Development NumPy REQUIRED )
-include_directories( ${Python3_INCLUDE_DIRS} ${Python3_NumPy_INCLUDE_DIRS} )
-
 add_compile_definitions( KITRT_PYTHON_PATH="${CMAKE_SOURCE_DIR}/python" )
 add_compile_definitions( BLAZE_USE_SHARED_MEMORY_PARALLELIZATION=0 )
 message( STATUS "Blaze: Shared memory parallelization disabled" )
@@ -61,7 +61,11 @@ include_directories( ${CMAKE_SOURCE_DIR}/ext/blaze )
 include_directories( ${CMAKE_SOURCE_DIR}/ext/cpptoml/include )
 include_directories( ${CMAKE_SOURCE_DIR}/ext/spdlog/include )
 
-set( CORE_LIBRARIES ${Python3_LIBRARIES} ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} ${MPI_LIBRARIES} ${VTK_LIBRARIES} OpenMP::OpenMP_CXX -lstdc++fs )
+if( BUILD_MPI )
+    set( CORE_LIBRARIES ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES} ${MPI_LIBRARIES} ${VTK_LIBRARIES} OpenMP::OpenMP_CXX -lstdc++fs )
+else()
+    set( CORE_LIBRARIES ${LAPACK_LIBRARIES} ${BLAS_LIBRARIES}  ${VTK_LIBRARIES} OpenMP::OpenMP_CXX -lstdc++fs )
+endif()
 
 
 #################################################
@@ -106,30 +110,6 @@ target_compile_options( ${CMAKE_PROJECT_NAME} PUBLIC "$<$<CONFIG:RELWITHDEBINFO>
 target_compile_options( ${CMAKE_PROJECT_NAME} PUBLIC "$<$<CONFIG:RELEASE>:${KITRT_RELEASE_OPTIONS}>" )
 #################################################
 
-
-### BUILD ML ###################################
-# Standalone ML Build (legacy)
-#if( BUILD_ML )
-#    # Tensorflow
-#    include_directories( ${CMAKE_SOURCE_DIR}/ext/cppflow/include/ )
-#    find_library(TENSORFLOW_LIB tensorflow)
-#    add_executable( ${CMAKE_PROJECT_NAME} ${SRCS} ${EXT_SRCS} )
-#
-#    # Specify Path for tensorflow models
-#    add_compile_definitions( TENSORFLOW_MODEL_PATH="${CMAKE_SOURCE_DIR}/tfmodels" )
-#
-#    target_compile_definitions( ${CMAKE_PROJECT_NAME} PUBLIC BUILD_ML )
-#    target_link_libraries( ${CMAKE_PROJECT_NAME} ${CORE_LIBRARIES} ${TENSORFLOW_LIB})
-#    set_target_properties( ${CMAKE_PROJECT_NAME} PROPERTIES RUNTIME_OUTPUT_DIRECTORY "${CMAKE_SOURCE_DIR}/bin" )
-#
-#    target_compile_options( ${CMAKE_PROJECT_NAME} PUBLIC "$<$<CONFIG:DEBUG>:${KITRT_DEBUG_OPTIONS}>" )
-#    target_compile_options( ${CMAKE_PROJECT_NAME} PUBLIC "$<$<CONFIG:RELWITHDEBINFO>:${KITRT_RELWITHDEBINFO_OPTIONS}>" )
-#    target_compile_options( ${CMAKE_PROJECT_NAME} PUBLIC "$<$<CONFIG:RELEASE>:${KITRT_RELEASE_OPTIONS}>" )
-#
-#endif()
-#################################################
-
-
 ### BUILD UNIT TESTS ############################
 if( BUILD_TESTING )
     include( CTest )

LICENSE

@@ -1,7 +1,8 @@
-Copyright 2020 Karlsruhe Institute of Technology - Steinbuch Centre for Computing
+Copyright 2024 Steffen Schotthoefer, Pia Stammer, Jonas Kusch.
 
-Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
+Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including the rights to use, copy, modify, merge, publish, the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
 
-The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
+The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. 
+It is prohibited to sell copies of the software or use the software in any commerical context.
 
 THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

examples/cascade_lattice.py

@@ -0,0 +1,123 @@
+import os
+import subprocess
+
+
+def main():
+    # Example usage:
+    quad_order = 19
+    cl_fine_vals = [0.02, 0.02, 0.01, 0.005]
+    cl_coarse = 0.05
+    cl_boundary = 0.2
+    length = 0.05
+
+    for i in range(len(cl_fine_vals)):
+        cl_fine = cl_fine_vals[i]
+        modify_and_run_geo_file(
+            cl_fine=cl_fine, cl_coarse=cl_coarse, cl_boundary=cl_boundary, length=length
+        )
+        modify_quad_order(quad_order=quad_order)
+        new_log_file, log_dir = modify_and_save_log_file(
+            quad_order, cl_fine, cl_coarse, cl_boundary, length
+        )
+        print(f"New log file name: {new_log_file}")
+        print(f"Log directory: {log_dir}")
+        run_cpp_program(config_file_path="lattice.cfg")
+
+    return 0
+
+
+def modify_and_run_geo_file(cl_fine, cl_coarse, cl_boundary, length):
+    # Define the file path
+    geo_file_path = "meshes/geo_files/lattice_refined.geo"
+
+    # Read the contents of the .geo file
+    with open(geo_file_path, "r") as file:
+        lines = file.readlines()
+
+    # Modify the variables in the first 4 lines
+    lines[0] = f"cl_fine = {cl_fine};\n"
+    lines[1] = f"cl_coarse = {cl_coarse};\n"
+    lines[2] = f"cl_boundary = {cl_boundary};\n"
+    lines[3] = f"length = {length};\n"
+
+    # Save the modified .geo file
+    with open(geo_file_path, "w") as file:
+        file.writelines(lines)
+
+    # Execute the command
+    command = f"gmsh {geo_file_path} -2 -format su2 -save_all"
+    os.system(command)
+
+
+def modify_quad_order(quad_order):
+    # Define the file path
+    cfg_file_path = "lattice.cfg"
+
+    # Read the contents of the lattice.cfg file
+    with open(cfg_file_path, "r") as file:
+        lines = file.readlines()
+
+    # Find the line containing "QUAD_ORDER" and modify it
+    for i, line in enumerate(lines):
+        if "QUAD_ORDER" in line:
+            lines[i] = f"QUAD_ORDER = {quad_order}\n"
+            break
+
+    # Save the modified lattice.cfg file
+    with open(cfg_file_path, "w") as file:
+        file.writelines(lines)
+
+
+def modify_and_save_log_file(quad_order, cl_fine, cl_coarse, cl_boundary, length):
+    # Define the file path
+    cfg_file_path = "lattice.cfg"
+
+    # Read the contents of the lattice.cfg file
+    with open(cfg_file_path, "r") as file:
+        lines = file.readlines()
+
+    # Identify the lines containing "LOG_DIR" and "LOG_FILE"
+    log_dir_line = next(line for line in lines if "LOG_DIR" in line)
+    log_file_line = next(line for line in lines if "LOG_FILE" in line)
+    vtk_file_line = next(line for line in lines if "OUTPUT_FILE" in line)
+
+    print(log_file_line)
+    # Extract the current log directory and file name
+    current_log_dir = log_dir_line.split("=")[1].strip()
+    current_log_file = log_file_line.split("=")[1].strip()
+
+    # Construct the new log file name
+    new_log_file = f"lattice_quad_order_{quad_order}_cl_fine_{cl_fine}_cl_coarse_{cl_coarse}_cl_boundary_{cl_boundary}_length_{length}"
+    new_vtk_file = f"lattice_quad_order_{quad_order}_cl_fine_{cl_fine}_cl_coarse_{cl_coarse}_cl_boundary_{cl_boundary}_length_{length}"
+
+    # Update the log file name in the lines list
+    log_file_line_new = f"LOG_FILE = {new_log_file}\n"
+    vtk_file_line_new = f"OUTPUT_FILE = {new_vtk_file}\n"
+    lines[lines.index(log_file_line)] = log_file_line_new
+    lines[lines.index(vtk_file_line)] = vtk_file_line_new
+
+    # Save the modified lattice.cfg file
+    with open(cfg_file_path, "w") as file:
+        file.writelines(lines)
+
+    # Return the new log file name and log directory
+    return new_log_file, current_log_dir
+
+
+def run_cpp_program(config_file_path):
+    # Define the path to the C++ program
+    cpp_program_path = "../build/KiT-RT"
+
+    # Construct the command to run the C++ program with the specified configuration file
+    command = [cpp_program_path, config_file_path]
+
+    try:
+        # Run the C++ program
+        subprocess.run(command, check=True)
+        print("C++ program executed successfully.")
+    except subprocess.CalledProcessError as e:
+        print(f"Error running C++ program: {e}")
+
+
+if __name__ == "__main__":
+    main()

examples/configs/lattice_SN.cfg

@@ -0,0 +1,48 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%  Lattice Benchmarking File SN   %
+%  Author <Steffen Schotthöfer>		   %
+%  Date   08.01.2024                   %
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+%
+% ----IO specification ----
+%
+OUTPUT_DIR = result_lattice
+OUTPUT_FILE = lattice_quad_order_19_grid_20
+LOG_DIR = result_lattice/logs
+LOG_FILE = lattice_quad_order_19_grid_20
+MESH_FILE = meshes/testcases/lattice/lattice_rectangular.su2
+%
+% --- Problem definition ---
+%
+PROBLEM = LATTICE
+TIME_FINAL = 2.8
+SPATIAL_DIM = 3
+SOURCE_MAGNITUDE = 1.0
+%
+% ---- Solver specifications ----
+%
+% Solver type
+SOLVER = SN_SOLVER
+% CFL number
+CFL_NUMBER = 0.95
+% Reconstruction order
+RECONS_ORDER = 2
+%
+% ---- Boundary Conditions ----
+%
+BC_NEUMANN = ( void )
+%
+% ----- Quadrature Specification ---
+%
+QUAD_TYPE = LEBEDEV
+QUAD_ORDER = 19
+%
+% ----- Output ---- 
+%
+VOLUME_OUTPUT = (MINIMAL)
+VOLUME_OUTPUT_FREQUENCY = 0
+SCREEN_OUTPUT = (ITER, MASS,RMS_FLUX, VTK_OUTPUT, CSV_OUTPUT, CUR_OUTFLOW, TOTAL_OUTFLOW, MAX_OUTFLOW, CUR_PARTICLE_ABSORPTION, TOTAL_PARTICLE_ABSORPTION, MAX_PARTICLE_ABSORPTION )
+SCREEN_OUTPUT_FREQUENCY = 10
+HISTORY_OUTPUT = (ITER, MASS, RMS_FLUX, VTK_OUTPUT, CSV_OUTPUT, TOTAL_OUTFLOW, MAX_OUTFLOW, CUR_PARTICLE_ABSORPTION, TOTAL_PARTICLE_ABSORPTION, MAX_PARTICLE_ABSORPTION)
+HISTORY_OUTPUT_FREQUENCY = 1