FluxEngineType refactor (#195)

* Refactor FluxEngineType and improve GPU build configuration
- Move FluxEngineType to psUtil.hpp to fix circular deps
- Expose FluxEngineType to Python bindings
- Update DRAMWiggling example to parameterize flux engine

* refactor FluxEngineType

* revert CMakeLists.txt (accidental local version commit) and format

* slight fix in DRAM Wiggle example

Author: FilipovicLado

examples/DRAMWiggling/DRAMWiggling.cpp

@@ -6,6 +6,9 @@ int main(int argc, char **argv) {
   using NumericType = double;
   constexpr int D = 3;
 
+  Logger::setLogLevel(LogLevel::INFO);
+  omp_set_num_threads(12);
+
   // Parse the parameters
   util::Parameters params;
   if (argc > 1) {
@@ -59,25 +62,30 @@ int main(int argc, char **argv) {
   RayTracingParameters rayParams;
   rayParams.raysPerPoint = params.get<int>("raysPerPoint");
 
+  const std::string fluxEngineStr = params.get<std::string>("fluxEngine");
+  const auto fluxEngine = util::convertFluxEngineType(fluxEngineStr);
+
   CoverageParameters coverageParams;
-  coverageParams.maxIterations = 10;
+  coverageParams.tolerance = 1e-5;
 
   // Process setup
   Process<NumericType, D> process(geometry, model, params.get("processTime"));
   process.setParameters(advectionParams);
   process.setParameters(rayParams);
   process.setParameters(coverageParams);
 
+  process.setFluxEngineType(fluxEngine);
   // print initial surface
-  geometry->saveSurfaceMesh("DRAM_Initial.vtp");
+  geometry->saveSurfaceMesh("DRAM_Initial_" + fluxEngineStr + ".vtp");
 
   const int numSteps = params.get("numSteps");
   for (int i = 0; i < numSteps; ++i) {
     process.apply();
-    geometry->saveSurfaceMesh("DRAM_Etched_" + std::to_string(i + 1) + ".vtp");
+    geometry->saveSurfaceMesh("DRAM_Etched_" + fluxEngineStr + "_" +
+                              std::to_string(i + 1) + ".vtp");
   }
 
-  geometry->saveHullMesh("DRAM_Final");
+  geometry->saveHullMesh("DRAM_Final_" + fluxEngineStr);
 
   return 0;
 }

examples/DRAMWiggling/DRAMWiggling.py

@@ -35,6 +35,9 @@
 # Add plane
 ps.MakePlane(geometry, 0.0, ps.Material.Si, True).apply()
 
+# print intermediate output surfaces during the process
+ps.Logger.setLogLevel(ps.LogLevel.INFO)
+
 ps.Length.setUnit(params["lengthUnit"])
 ps.Time.setUnit(params["timeUnit"])
 
@@ -46,33 +49,38 @@
 modelParams.Ions.sigmaEnergy = params["sigmaEnergy"]
 modelParams.Ions.exponent = params["ionExponent"]
 modelParams.Ions.n_l = 200
-modelParams.Substrate.B_sp = 0.75
 model = ps.HBrO2Etching(modelParams)
 
 coverageParameters = ps.CoverageParameters()
-coverageParameters.maxIterations = 10
+coverageParameters.tolerance = 1e-5
 
 rayTracingParams = ps.RayTracingParameters()
 rayTracingParams.raysPerPoint = int(params["raysPerPoint"])
 
 advectionParams = ps.AdvectionParameters()
-advectionParams.spatialScheme = ps.util.convertSpatialScheme(params["spatialScheme"])
+advectionParams.spatialScheme = ps.util.convertSpatialScheme(
+    params["spatialScheme"]
+)
+
+fluxEngineStr = params["fluxEngine"]
+fluxEngine = ps.util.convertFluxEngineType(fluxEngineStr)
 
 # process setup
 process = ps.Process(geometry, model)
 process.setProcessDuration(params["processTime"])  # seconds
 process.setParameters(coverageParameters)
 process.setParameters(rayTracingParams)
 process.setParameters(advectionParams)
+process.setFluxEngineType(fluxEngine)
 
 # print initial surface
-geometry.saveSurfaceMesh(filename="DRAM_Initial.vtp")
+geometry.saveSurfaceMesh(filename=f"DRAM_Initial_{fluxEngineStr}.vtp")
 
 numSteps = int(params["numSteps"])
 for i in range(numSteps):
     # run the process
     process.apply()
-    geometry.saveSurfaceMesh(filename=f"DRAM_Etched_{i + 1}.vtp")
+    geometry.saveSurfaceMesh(filename=f"DRAM_Etched_{fluxEngineStr}_{i + 1}.vtp")
 
 # print final volume
-geometry.saveHullMesh("DRAM_Final")
+geometry.saveHullMesh(f"DRAM_Final_{fluxEngineStr}")

examples/DRAMWiggling/config.txt

@@ -21,4 +21,6 @@ spatialScheme=LF_2
 
 numSteps=20
 raysPerPoint=1000
+fluxEngine=CD
+
 gdsFile=wiggle_full.gds

include/viennaps/process/psFluxEngine.hpp

@@ -6,36 +6,6 @@
 
 namespace viennaps {
 
-enum class FluxEngineType {
-  // Platform, Surface representation
-  AUTO,         // Automatic selection
-  CPU_DISK,     // CPU, Disk-based
-  CPU_TRIANGLE, // CPU, Triangle-based
-  GPU_DISK,     // GPU, Disk-based
-  GPU_TRIANGLE, // GPU, Triangle-based
-  GPU_LINE,     // GPU, Line-based
-  // GPU_LEVEL_SET // Future implementations
-};
-
-inline std::string to_string(const FluxEngineType type) {
-  switch (type) {
-  case FluxEngineType::AUTO:
-    return "AUTO";
-  case FluxEngineType::CPU_DISK:
-    return "CPU_DISK";
-  case FluxEngineType::CPU_TRIANGLE:
-    return "CPU_TRIANGLE";
-  case FluxEngineType::GPU_TRIANGLE:
-    return "GPU_TRIANGLE";
-  case FluxEngineType::GPU_DISK:
-    return "GPU_DISK";
-  case FluxEngineType::GPU_LINE:
-    return "GPU_LINE";
-  default:
-    return "UNKNOWN";
-  }
-}
-
 template <typename NumericType, int D> class FluxEngine {
 protected:
   viennacore::Timer<> timer_;

include/viennaps/psUtil.hpp

@@ -12,6 +12,17 @@
 
 #include "psMaterials.hpp"
 
+namespace viennaps {
+enum class FluxEngineType {
+  AUTO,         // Automatic selection
+  CPU_DISK,     // CPU, Disk-based
+  CPU_TRIANGLE, // CPU, Triangle-based
+  GPU_DISK,     // GPU, Disk-based
+  GPU_TRIANGLE, // GPU, Triangle-based
+  GPU_LINE      // GPU, Line-based
+};
+}
+
 // Use viennacore here to avoid conflicts with other namespaces
 namespace viennacore::util {
 [[nodiscard]] inline viennals::SpatialSchemeEnum
@@ -63,6 +74,23 @@ convertIntegrationScheme(const std::string &s) {
   return convertSpatialScheme(s);
 }
 
+[[nodiscard]] inline viennaps::FluxEngineType
+convertFluxEngineType(const std::string &s) {
+  if (s == "AUTO")
+    return viennaps::FluxEngineType::AUTO;
+  if (s == "CPU_DISK" || s == "CD")
+    return viennaps::FluxEngineType::CPU_DISK;
+  if (s == "CPU_TRIANGLE" || s == "CT")
+    return viennaps::FluxEngineType::CPU_TRIANGLE;
+  if (s == "GPU_DISK" || s == "GD")
+    return viennaps::FluxEngineType::GPU_DISK;
+  if (s == "GPU_TRIANGLE" || s == "GT")
+    return viennaps::FluxEngineType::GPU_TRIANGLE;
+  if (s == "GPU_LINE" || s == "GL")
+    return viennaps::FluxEngineType::GPU_LINE;
+  throw std::invalid_argument("Unknown FluxEngineType: " + s);
+}
+
 [[nodiscard]] inline viennals::TemporalSchemeEnum
 convertTemporalScheme(const std::string &s) {
   if (s == "FORWARD_EULER" || s == "FE")
@@ -106,6 +134,26 @@ convertSpatialSchemeToString(viennals::SpatialSchemeEnum scheme) {
   }
 }
 
+[[nodiscard]] inline std::string
+convertFluxEngineTypeToString(viennaps::FluxEngineType type) {
+  switch (type) {
+  case viennaps::FluxEngineType::AUTO:
+    return "AUTO";
+  case viennaps::FluxEngineType::CPU_DISK:
+    return "CPU_DISK";
+  case viennaps::FluxEngineType::CPU_TRIANGLE:
+    return "CPU_TRIANGLE";
+  case viennaps::FluxEngineType::GPU_DISK:
+    return "GPU_DISK";
+  case viennaps::FluxEngineType::GPU_TRIANGLE:
+    return "GPU_TRIANGLE";
+  case viennaps::FluxEngineType::GPU_LINE:
+    return "GPU_LINE";
+  default:
+    return "UNKNOWN";
+  }
+}
+
 [[nodiscard]] inline std::string
 convertTemporalSchemeToString(viennals::TemporalSchemeEnum scheme) {
   switch (scheme) {
@@ -151,6 +199,8 @@ template <typename T> [[nodiscard]] std::string toString(const T &value) {
   else if constexpr (std::is_same_v<T, viennaps::Material>) {
     std::string mat = viennaps::to_string_view(value);
     return mat;
+  } else if constexpr (std::is_same_v<T, viennaps::FluxEngineType>) {
+    return convertFluxEngineTypeToString(value);
   } else if constexpr (std::is_same_v<T, std::string>)
     return value;
   else
@@ -178,3 +228,9 @@ hexToRGBArray(const uint32_t hexColor) {
   return rgb;
 }
 }; // namespace viennacore::util
+
+namespace viennaps {
+[[nodiscard]] inline std::string to_string(FluxEngineType type) {
+  return viennacore::util::convertFluxEngineTypeToString(type);
+}
+} // namespace viennaps

python/pyWrap.cpp

@@ -594,6 +594,8 @@ PYBIND11_MODULE(VIENNAPS_MODULE_NAME, module) {
              "Convert a string to an discretization scheme.");
   // convertIntegrationScheme is deprecated
   m_util.attr("convertIntegrationScheme") = m_util.attr("convertSpatialScheme");
+  m_util.def("convertFluxEngineType", &util::convertFluxEngineType,
+             "Convert a string to a flux engine type.");
   m_util.def("convertTemporalScheme", &util::convertTemporalScheme,
              "Convert a string to a time integration scheme.");