Merge branch 'develop' into develop

Author: kursatyurt

.github/workflows/regression.yml

@@ -26,13 +26,13 @@ jobs:
         config_set: [BaseMPI, ReverseMPI, ForwardMPI, BaseNoMPI, ReverseNoMPI, ForwardNoMPI, BaseOMP, ReverseOMP, ForwardOMP]
         include:
           - config_set: BaseMPI
-            flags: '-Denable-pywrapper=true -Denable-coolprop=true -Denable-tests=true --warnlevel=2 --werror'
+            flags: '-Denable-pywrapper=true -Denable-coolprop=true -Denable-mlpcpp=true -Denable-tests=true --warnlevel=2 --werror'
           - config_set: ReverseMPI
             flags: '-Denable-autodiff=true -Denable-normal=false -Denable-pywrapper=true -Denable-tests=true --warnlevel=3 --werror'
           - config_set: ForwardMPI
             flags: '-Denable-directdiff=true -Denable-normal=false -Denable-tests=true --warnlevel=3 --werror'
           - config_set: BaseNoMPI
-            flags: '-Denable-pywrapper=true -Denable-openblas=true -Dwith-mpi=disabled -Denable-tests=true --warnlevel=3 --werror'
+            flags: '-Denable-pywrapper=true -Denable-openblas=true -Dwith-mpi=disabled -Denable-mlpcpp=true -Denable-tests=true --warnlevel=3 --werror'
           - config_set: ReverseNoMPI
             flags: '-Denable-autodiff=true -Denable-normal=false -Dwith-mpi=disabled -Denable-pywrapper=true -Denable-tests=true --warnlevel=3 --werror'
           - config_set: ForwardNoMPI
@@ -52,12 +52,12 @@ jobs:
           key: ${{ matrix.config_set }}-${{ github.sha }}
           restore-keys: ${{ matrix.config_set }}
       - name: Pre Cleanup
-        uses: docker://ghcr.io/su2code/su2/build-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/build-su2:230704-1323
         with:
           entrypoint: /bin/rm
           args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
       - name: Build
-        uses: docker://ghcr.io/su2code/su2/build-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/build-su2:230704-1323
         with:
           args: -b ${{github.ref}} -f "${{matrix.flags}}"
       - name: Compress binaries
@@ -68,7 +68,50 @@ jobs:
           name: ${{ matrix.config_set }}
           path: install_bin.tgz
       - name: Post Cleanup
-        uses: docker://ghcr.io/su2code/su2/build-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/build-su2:230704-1323
+        with:
+          entrypoint: /bin/rm
+          args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
+  build_tsan:
+    name: Build SU2 (tsan)
+    if: inputs.runner != 'ARM64'
+    strategy:
+      fail-fast: false
+      matrix:
+        config_set: [BaseOMP-tsan, ReverseOMP-tsan] #ForwardOMP-tsan
+        include:
+          - config_set: BaseOMP-tsan
+            flags: '--buildtype=debugoptimized -Dwith-omp=true -Denable-mixedprec=true -Denable-tecio=false --warnlevel=3'
+          - config_set: ReverseOMP-tsan
+            flags: '--buildtype=debugoptimized -Denable-autodiff=true -Denable-normal=false -Dwith-omp=true -Denable-mixedprec=true -Denable-tecio=false --warnlevel=3'
+          #- config_set: ForwardOMP-tsan
+          #  flags: '--buildtype=debug -Denable-directdiff=true -Denable-normal=false -Dwith-omp=true -Denable-mixedprec=true -Denable-pywrapper=true -Denable-tecio=false --warnlevel=3 --werror'
+    runs-on: ${{ inputs.runner || 'ubuntu-latest' }}
+    steps:
+      - name: Cache Object Files
+        uses: actions/cache@v3
+        with:
+          path: ccache
+          key: ${{ matrix.config_set }}-${{ github.sha }}
+          restore-keys: ${{ matrix.config_set }}
+      - name: Pre Cleanup
+        uses: docker://ghcr.io/su2code/su2/build-su2-tsan:230704-1323
+        with:
+          entrypoint: /bin/rm
+          args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
+      - name: Build
+        uses: docker://ghcr.io/su2code/su2/build-su2-tsan:230704-1323
+        with:
+          args: -b ${{github.ref}} -f "${{matrix.flags}}"
+      - name: Compress binaries
+        run: tar -zcvf install_bin.tgz install/bin
+      - name: Upload Binaries
+        uses: actions/upload-artifact@v3
+        with:
+          name: ${{ matrix.config_set }}
+          path: install_bin.tgz
+      - name: Post Cleanup
+        uses: docker://ghcr.io/su2code/su2/build-su2-tsan:230704-1323
         with:
           entrypoint: /bin/rm
           args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
@@ -99,7 +142,7 @@ jobs:
             tag: OMP
     steps:
       - name: Pre Cleanup
-        uses: docker://ghcr.io/su2code/su2/test-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/test-su2:230704-1323
         with:
           entrypoint: /bin/rm
           args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
@@ -125,12 +168,58 @@ jobs:
           chmod a+x $BIN_FOLDER/*
           ls -lahR $BIN_FOLDER
       - name: Run Tests in Container
-        uses: docker://ghcr.io/su2code/su2/test-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/test-su2:230704-1323
         with:
           # -t <Tutorials-branch> -c <Testcases-branch>
           args: -b ${{github.ref}} -t develop -c develop -s ${{matrix.testscript}}
       - name: Cleanup
-        uses: docker://ghcr.io/su2code/su2/test-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/test-su2:230704-1323
+        with:
+          entrypoint: /bin/rm
+          args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
+  thread_sanitizer_tests:
+    if: inputs.runner != 'ARM64'
+    runs-on: ${{ inputs.runner || 'ubuntu-latest' }}
+    name: Thread Sanitizer Tests
+    needs: build_tsan
+    strategy:
+      fail-fast: false
+      matrix:
+        testscript: ['hybrid_regression.py', 'hybrid_regression_AD.py']
+    steps:
+      - name: Pre Cleanup
+        uses: docker://ghcr.io/su2code/su2/test-su2-tsan:230704-1323
+        with:
+          entrypoint: /bin/rm
+          args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
+      - name: Download All artifacts
+        uses: actions/download-artifact@v3
+      - name: Uncompress and Move Binaries
+        run: |
+          BIN_FOLDER="$PWD/install/bin"
+          mkdir -p $BIN_FOLDER
+          ls -lah $BIN_FOLDER
+          for type in Base Reverse Forward; do
+            TYPE_FOLDER="${type}OMP-tsan"
+            echo "Processing '$TYPE_FOLDER' ..."
+            if [ -d $TYPE_FOLDER ]; then
+              pushd $TYPE_FOLDER
+              ls -lah
+              tar -zxvf install_bin.tgz
+              ls -lah install/bin/
+              cp -r install/bin/* $BIN_FOLDER;
+              popd;
+            fi
+          done
+          chmod a+x $BIN_FOLDER/*
+          ls -lahR $BIN_FOLDER
+      - name: Run Tests in Container
+        uses: docker://ghcr.io/su2code/su2/test-su2-tsan:230704-1323
+        with:
+          # -t <Tutorials-branch> -c <Testcases-branch>
+          args: -b ${{github.ref}} -t develop -c develop -s ${{matrix.testscript}} -a "--tsan"
+      - name: Cleanup
+        uses: docker://ghcr.io/su2code/su2/test-su2-tsan:230704-1323
         with:
           entrypoint: /bin/rm
           args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
@@ -151,7 +240,7 @@ jobs:
             tag: MPI
     steps:
       - name: Pre Cleanup
-        uses: docker://ghcr.io/su2code/su2/test-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/test-su2:230704-1323
         with:
           entrypoint: /bin/rm
           args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}
@@ -212,11 +301,11 @@ jobs:
           echo $PWD
           ls -lahR
       - name: Run Unit Tests
-        uses: docker://ghcr.io/su2code/su2/test-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/test-su2:230704-1323
         with:
           entrypoint: install/bin/${{matrix.testdriver}}
       - name: Post Cleanup
-        uses: docker://ghcr.io/su2code/su2/test-su2:230225-2136
+        uses: docker://ghcr.io/su2code/su2/test-su2:230704-1323
         with:
           entrypoint: /bin/rm
           args: -rf install install_bin.tgz src ccache ${{ matrix.config_set }}

.github/workflows/release-management.yml

@@ -35,7 +35,7 @@ jobs:
           key: ${{ matrix.os_bin }}-${{ github.sha }}
           restore-keys: ${{ matrix.os_bin }}
       - name: Build
-        uses: docker://ghcr.io/su2code/su2/build-su2-cross:230225-2136
+        uses: docker://ghcr.io/su2code/su2/build-su2-cross:230704-1323
         with:
           args: -b ${{ github.sha }} -f "${{matrix.flags}}"
       - name: Create Archive

.gitmodules

@@ -24,3 +24,6 @@
 [submodule "externals/mel"]
 	path = externals/mel
 	url = https://github.com/pcarruscag/MEL.git
+[submodule "subprojects/MLPCpp"]
+	path = subprojects/MLPCpp
+	url = https://github.com/EvertBunschoten/MLPCpp.git

AUTHORS.md

@@ -92,6 +92,7 @@ Jessie Lauzon
 João Loureiro
 Johannes Blühdorn
 JonathanSmith1936
+Joseph Signorelli
 Josy P. Pullockara
 Kedar Naik
 Kürşat Yurt

Common/include/CConfig.hpp

@@ -519,7 +519,12 @@ class CConfig {
   Kind_TimeIntScheme_AdjTurb,   /*!< \brief Time integration for the adjoint turbulence model. */
   Kind_TimeIntScheme_Species,   /*!< \brief Time integration for the species model. */
   Kind_TimeIntScheme_Heat,      /*!< \brief Time integration for the wave equations. */
-  Kind_TimeStep_Heat;           /*!< \brief Time stepping method for the (fvm) heat equation. */
+  Kind_TimeStep_Heat,           /*!< \brief Time stepping method for the (fvm) heat equation. */
+  n_Datadriven_files;
+  ENUM_DATADRIVEN_METHOD Kind_DataDriven_Method;       /*!< \brief Method used for datset regression in data-driven fluid models. */
+
+  su2double DataDriven_Relaxation_Factor; /*!< \brief Relaxation factor for Newton solvers in data-driven fluid models. */
+
   STRUCT_TIME_INT Kind_TimeIntScheme_FEA;    /*!< \brief Time integration for the FEA equations. */
   STRUCT_SPACE_ITE Kind_SpaceIteScheme_FEA;  /*!< \brief Iterative scheme for nonlinear structural analysis. */
   unsigned short
@@ -800,7 +805,8 @@ class CConfig {
   SurfAdjCoeff_FileName,         /*!< \brief Output file with the adjoint variables on the surface. */
   SurfSens_FileName,             /*!< \brief Output file for the sensitivity on the surface (discrete adjoint). */
   VolSens_FileName,              /*!< \brief Output file for the sensitivity in the volume (discrete adjoint). */
-  ObjFunc_Hess_FileName;         /*!< \brief Hessian approximation obtained by the Sobolev smoothing solver. */
+  ObjFunc_Hess_FileName,         /*!< \brief Hessian approximation obtained by the Sobolev smoothing solver. */
+  *DataDriven_Method_FileNames;    /*!< \brief Dataset information for data-driven fluid models. */
 
   bool
   Wrt_Performance,           /*!< \brief Write the performance summary at the end of a calculation.  */
@@ -903,6 +909,7 @@ class CConfig {
   Tke_FreeStreamND,           /*!< \brief Farfield kinetic energy (external flow). */
   Omega_FreeStreamND,         /*!< \brief Specific dissipation (external flow). */
   Omega_FreeStream;           /*!< \brief Specific dissipation (external flow). */
+  bool Variable_Density;      /*!< \brief Variable density for incompressible flow. */
   unsigned short nElectric_Constant;    /*!< \brief Number of different electric constants. */
   su2double *Electric_Constant;         /*!< \brief Dielectric constant modulus. */
   su2double Knowles_B,                  /*!< \brief Knowles material model constant B. */
@@ -1223,9 +1230,10 @@ class CConfig {
   unsigned short n_user_sources = 0;  /*!< \brief Number of source terms for user defined (auxiliary) scalar transport equations. */
   unsigned short n_control_vars = 0;  /*!< \brief Number of controlling variables (independent variables) for the LUT. */
 
+  string* controlling_variable_names;
+  string* cv_source_names;
   vector<string> table_scalar_names;  /*!< \brief Names of transported scalar variables. */
-  string* table_lookup_names;         /*!< \brief Names of LUT variables. */
-  string file_name_lut;               /*!< \brief Filename of the LUT. */
+  string* lookup_names;         /*!< \brief Names of passive look-up variables. */
   string* user_scalar_names;          /*!< \brief Names of the user defined (auxiliary) transported scalars .*/
   string* user_source_names;          /*!< \brief Names of the source terms for the user defined transported scalars. */
 
@@ -2145,6 +2153,19 @@ class CConfig {
    */
   unsigned short GetNUserScalars() const { return n_user_scalars; }
 
+  /*!
+   * \brief Get the name of a specific controlling variable.
+   */
+  const string& GetControllingVariableName(unsigned short i_cv) const {
+    return controlling_variable_names[i_cv];
+  }
+
+  /*!
+   * \brief Get the name of the source term variable for a specific controlling variable.
+   */
+  const string& GetControllingVariableSourceName(unsigned short i_cv) const {
+    return cv_source_names[i_cv];
+  }
   /*!
    * \brief Get the name of the user scalar.
    */
@@ -2169,13 +2190,7 @@ class CConfig {
   /*!
    * \brief Get the name of the variable that we want to retrieve from the lookup table.
    */
-  const string& GetLUTLookupName(unsigned short i_lookup) const { return table_lookup_names[i_lookup]; }
-
-  /*!
-   * \brief Get the file name of the look up table.
-   * \return File name of the look up table.
-   */
-  const string& GetFileNameLUT() const { return file_name_lut; }
+  const string& GetLookupName(unsigned short i_lookup) const { return lookup_names[i_lookup]; }
 
   /*!
    * \brief Get the Young's modulus of elasticity.
@@ -3844,6 +3859,29 @@ class CConfig {
    */
   unsigned short GetKind_FluidModel(void) const { return Kind_FluidModel; }
 
+  /*!
+   * \brief Datadriven method for EoS evaluation.
+   */
+  ENUM_DATADRIVEN_METHOD GetKind_DataDriven_Method(void) const { return Kind_DataDriven_Method; }
+
+  /*!
+   * \brief Get name of the input file for the data-driven fluid model interpolation method.
+   * \return Name of the input file for the interpolation method.
+   */
+  const string* GetDataDriven_FileNames(void) const { return DataDriven_Method_FileNames; }
+
+  /*!
+   * \brief Get number of listed look-up table or multi-layer perceptron input files.
+   * \return Number of listed data-driven method input files.
+   */
+  unsigned short GetNDataDriven_Files(void) const { return n_Datadriven_files; }
+
+  /*!
+   * \brief Get Newton solver relaxation factor for data-driven fluid models.
+   * \return Newton solver relaxation factor.
+   */
+  su2double GetRelaxation_DataDriven(void) const { return DataDriven_Relaxation_Factor; }
+
   /*!
    * \brief Returns the name of the fluid we are using in CoolProp.
    */
@@ -3855,6 +3893,12 @@ class CConfig {
    */
   INC_DENSITYMODEL GetKind_DensityModel() const { return Kind_DensityModel; }
 
+  /*!
+   * \brief Selection of variable density option for incompressible flows.
+   * \return Flag for variable density for incompressible flows.
+   */
+  bool GetVariable_Density_Model() const { return Variable_Density; }
+
   /*!
    * \brief Flag for whether to solve the energy equation for incompressible flows.
    * \return Flag for energy equation

Common/include/basic_types/ad_structure.hpp

@@ -384,16 +384,14 @@ FORCEINLINE void SetDerivative(int index, const double val) {
   if (index == 0)  // Allow multiple threads to "set the derivative" of passive variables without causing data races.
     return;
 
-  using BoundsChecking = codi::GradientAccessTapeInterface<su2double::Gradient, su2double::Identifier>::BoundsChecking;
-  AD::getTape().setGradient(index, val, BoundsChecking::False);
+  AD::getTape().setGradient(index, val, codi::AdjointsManagement::Manual);
 }
 
 // WARNING: For performance reasons, this method does not perform bounds checking.
 // If called after tape evaluations, the adjoints should exist.
 // Otherwise, please ensure sufficient adjoint vector size by a call to AD::ResizeAdjoints().
 FORCEINLINE double GetDerivative(int index) {
-  using BoundsChecking = codi::GradientAccessTapeInterface<su2double::Gradient, su2double::Identifier>::BoundsChecking;
-  return AD::getTape().getGradient(index, BoundsChecking::False);
+  return AD::getTape().getGradient(index, codi::AdjointsManagement::Manual);
 }
 
 FORCEINLINE bool IsIdentifierActive(su2double const& value) {

Common/include/containers/CLookUpTable.hpp

@@ -76,6 +76,8 @@ class CLookUpTable {
    */
   su2vector<su2activematrix> table_data;
 
+  double memory_footprint_data = 0; /*!< \brief Memory footprint of the loaded table data. */
+
   /*! \brief
    * Holds all connectivity data stored in the table for each level. First index
    * addresses the variable while second index addresses the point.
@@ -216,7 +218,7 @@ class CLookUpTable {
    */
   void Linear_Interpolation(const su2double val_CV3, const unsigned long lower_level, const unsigned long upper_level,
                             std::vector<su2double>& lower_values, std::vector<su2double>& upper_values,
-                            std::vector<su2double*>& var_vals) const;
+                            std::vector<su2double>& var_vals) const;
 
   /*!
    * \brief Find the point on the hull (boundary of the table) that is closest to the point P(val_CV1,val_CV2).
@@ -345,7 +347,7 @@ class CLookUpTable {
    * \param[in] val_CV3 - Value of controlling variable 3.
    * \returns 1 if the lookup and subsequent interpolation was a success, 0 if not.
    */
-  unsigned long LookUp_XYZ(const std::vector<std::string>& val_names_var, std::vector<su2double*>& val_vars,
+  unsigned long LookUp_XYZ(const std::vector<std::string>& val_names_var, std::vector<su2double>& val_vars,
                            su2double val_CV1, su2double val_CV2, su2double val_CV3 = 0);
 
   /*!

Common/include/containers/CTrapezoidalMap.hpp

@@ -54,12 +54,14 @@ class CTrapezoidalMap {
    * same band. Used to sort the edges */
   su2vector<std::vector<std::pair<su2double, unsigned long> > > y_edge_at_band_mid;
 
+  double memory_footprint = 0;
+
  public:
   CTrapezoidalMap() = default;
 
   CTrapezoidalMap(const su2double* samples_x, const su2double* samples_y, const unsigned long size,
                   const std::vector<std::array<unsigned long, 2> >& edges,
-                  const su2vector<std::vector<unsigned long> >& edge_to_triangle);
+                  const su2vector<std::vector<unsigned long> >& edge_to_triangle, bool display = false);
 
   /*!
    * \brief return the index to the triangle that contains the coordinates (val_x,val_y)
@@ -97,4 +99,10 @@ class CTrapezoidalMap {
   inline bool IsInsideHullX(su2double val_x) {
     return (val_x >= unique_bands_x.front()) && (val_x <= unique_bands_x.back());
   }
+
+  /*!
+   * \brief get memory footprint of trapezoidal map.
+   * \return - memory footprint in mega bytes.
+   */
+  double GetMemoryFootprint() const { return memory_footprint; }
 };