Merge pull request #1020 from su2code/feature_quasi_newton_adjoint

Quasi-Newton convergence acceleration/stabilization of discrete adjoints

Author: pcarruscag

Common/include/CConfig.hpp

@@ -396,7 +396,6 @@ class CConfig {
   unsigned long InnerIter;          /*!< \brief Current inner iterations for multizone problems. */
   unsigned long TimeIter;           /*!< \brief Current time iterations for multizone problems. */
   unsigned long Unst_nIntIter;      /*!< \brief Number of internal iterations (Dual time Method). */
-  unsigned long Dyn_nIntIter;       /*!< \brief Number of internal iterations (Newton-Raphson Method for nonlinear structural analysis). */
   long Unst_RestartIter;            /*!< \brief Iteration number to restart an unsteady simulation (Dual time Method). */
   long Unst_AdjointIter;            /*!< \brief Iteration number to begin the reverse time integration in the direct solver for the unsteady adjoint. */
   long Iter_Avg_Objective;          /*!< \brief Iteration the number of time steps to be averaged, counting from the back */
@@ -412,6 +411,8 @@ class CConfig {
   unsigned short nRKStep;                   /*!< \brief Number of steps of the explicit Runge-Kutta method. */
   su2double *RK_Alpha_Step;                 /*!< \brief Runge-Kutta beta coefficients. */
 
+  unsigned short nQuasiNewtonSamples;  /*!< \brief Number of samples used in quasi-Newton solution methods. */
+
   unsigned short nMGLevels;    /*!< \brief Number of multigrid levels (coarse levels). */
   unsigned short nCFL;         /*!< \brief Number of CFL, one for each multigrid level. */
   su2double
@@ -820,9 +821,9 @@ class CConfig {
   su2double* CpPolyCoefficients;     /*!< \brief Definition of the temperature polynomial coefficients for specific heat Cp. */
   su2double* MuPolyCoefficients;     /*!< \brief Definition of the temperature polynomial coefficients for viscosity. */
   su2double* KtPolyCoefficients;     /*!< \brief Definition of the temperature polynomial coefficients for thermal conductivity. */
-  array<su2double, N_POLY_COEFFS> CpPolyCoefficientsND{0.0};   /*!< \brief Definition of the non-dimensional temperature polynomial coefficients for specific heat Cp. */
-  array<su2double, N_POLY_COEFFS>MuPolyCoefficientsND{0.0};   /*!< \brief Definition of the non-dimensional temperature polynomial coefficients for viscosity. */
-  array<su2double, N_POLY_COEFFS>KtPolyCoefficientsND{0.0};   /*!< \brief Definition of the non-dimensional temperature polynomial coefficients for thermal conductivity. */
+  array<su2double, N_POLY_COEFFS> CpPolyCoefficientsND{{0.0}};  /*!< \brief Definition of the non-dimensional temperature polynomial coefficients for specific heat Cp. */
+  array<su2double, N_POLY_COEFFS> MuPolyCoefficientsND{{0.0}};  /*!< \brief Definition of the non-dimensional temperature polynomial coefficients for viscosity. */
+  array<su2double, N_POLY_COEFFS> KtPolyCoefficientsND{{0.0}};  /*!< \brief Definition of the non-dimensional temperature polynomial coefficients for thermal conductivity. */
   su2double Thermal_Conductivity_Solid,      /*!< \brief Thermal conductivity in solids. */
   Thermal_Diffusivity_Solid,       /*!< \brief Thermal diffusivity in solids. */
   Temperature_Freestream_Solid,    /*!< \brief Temperature in solids at freestream conditions. */
@@ -1016,9 +1017,9 @@ class CConfig {
   su2double FinalRotation_Rate_Z;       /*!< \brief Final rotation rate Z if Ramp rotating frame is activated. */
   su2double FinalOutletPressure;        /*!< \brief Final outlet pressure if Ramp outlet pressure is activated. */
   su2double MonitorOutletPressure;      /*!< \brief Monitor outlet pressure if Ramp outlet pressure is activated. */
-  array<su2double, N_POLY_COEFFS> default_cp_polycoeffs{0.0};     /*!< \brief Array for specific heat polynomial coefficients. */
-  array<su2double, N_POLY_COEFFS> default_mu_polycoeffs{0.0};     /*!< \brief Array for viscosity polynomial coefficients. */
-  array<su2double, N_POLY_COEFFS> default_kt_polycoeffs{0.0};     /*!< \brief Array for thermal conductivity polynomial coefficients. */
+  array<su2double, N_POLY_COEFFS> default_cp_polycoeffs{{0.0}};  /*!< \brief Array for specific heat polynomial coefficients. */
+  array<su2double, N_POLY_COEFFS> default_mu_polycoeffs{{0.0}};  /*!< \brief Array for viscosity polynomial coefficients. */
+  array<su2double, N_POLY_COEFFS> default_kt_polycoeffs{{0.0}};  /*!< \brief Array for thermal conductivity polynomial coefficients. */
   su2double *ExtraRelFacGiles;          /*!< \brief coefficient for extra relaxation factor for Giles BC*/
   bool Body_Force;                      /*!< \brief Flag to know if a body force is included in the formulation. */
   su2double *Body_Force_Vector;         /*!< \brief Values of the prescribed body force vector. */
@@ -2941,12 +2942,6 @@ class CConfig {
    */
   unsigned long GetUnst_nIntIter(void) const { return Unst_nIntIter; }
 
-  /*!
-   * \brief Get the number of internal iterations for the Newton-Raphson Method in nonlinear structural applications.
-   * \return Number of internal iterations.
-   */
-  unsigned long GetDyn_nIntIter(void) const { return Dyn_nIntIter; }
-
   /*!
    * \brief Get the starting direct iteration number for the unsteady adjoint (reverse time integration).
    * \return Starting direct iteration number for the unsteady adjoint.
@@ -4026,6 +4021,11 @@ class CConfig {
    */
   su2double GetRelaxation_Factor_CHT(void) const { return Relaxation_Factor_CHT; }
 
+  /*!
+   * \brief Get the number of samples used in quasi-Newton methods.
+   */
+  unsigned short GetnQuasiNewtonSamples(void) const { return nQuasiNewtonSamples; }
+
   /*!
    * \brief Get the relaxation coefficient of the linear solver for the implicit formulation.
    * \return relaxation coefficient of the linear solver for the implicit formulation.

Common/include/mpi_structure.hpp

@@ -71,18 +71,6 @@ class CBaseMPIWrapper;
 typedef CBaseMPIWrapper SU2_MPI;
 #endif // defined CODI_REVERSE_TYPE || defined CODI_FORWARD_TYPE
 
-/*--- Select the appropriate MPI wrapper based on datatype, to use in templated classes. ---*/
-template<class T> struct SelectMPIWrapper { typedef SU2_MPI W; };
-
-/*--- In AD we specialize for the passive wrapper. ---*/
-#if defined CODI_REVERSE_TYPE
-class CBaseMPIWrapper;
-template<> struct SelectMPIWrapper<passivedouble> { typedef CBaseMPIWrapper W; };
-#if defined USE_MIXED_PRECISION
-template<> struct SelectMPIWrapper<su2mixedfloat> { typedef CBaseMPIWrapper W; };
-#endif
-#endif
-
 /*!
  * \class CMPIWrapper
  * \brief Class for defining the MPI wrapper routines; this class features as a base class for
@@ -326,6 +314,7 @@ class CMediMPIWrapper: public CBaseMPIWrapper {
 #define MPI_UNSIGNED_LONG 1
 #define MPI_LONG 2
 #define MPI_UNSIGNED_SHORT 3
+#define MPI_FLOAT 4
 #define MPI_DOUBLE 4
 #define MPI_ANY_SOURCE 5
 #define MPI_SUM 6
@@ -455,6 +444,17 @@ typedef CBaseMPIWrapper SU2_MPI;
 
 #endif
 
+/*--- Select the appropriate MPI wrapper based on datatype, to use in templated classes. ---*/
+template<class T> struct SelectMPIWrapper { typedef SU2_MPI W; };
+
+/*--- In AD we specialize for the passive wrapper. ---*/
+#if defined CODI_REVERSE_TYPE
+template<> struct SelectMPIWrapper<passivedouble> { typedef CBaseMPIWrapper W; };
+#if defined USE_MIXED_PRECISION
+template<> struct SelectMPIWrapper<su2mixedfloat> { typedef CBaseMPIWrapper W; };
+#endif
+#endif
+
 /* Depending on the compiler, define the correct macro to get the current function name */
 
 #if defined(__GNUC__) || (defined(__ICC) && (__ICC >= 600))

Common/include/omp_structure.hpp

@@ -55,11 +55,6 @@
 /*--- The generic start of OpenMP constructs. ---*/
 #define SU2_OMP(ARGS) PRAGMIZE(omp ARGS)
 
-/*--- Detect SIMD support (version 4+, after Jul 2013). ---*/
-#if _OPENMP >= 201307
-#define HAVE_OMP_SIMD
-#endif
-
 #else // Compile without OpenMP
 
 /*--- Disable pragmas to quiet compilation warnings. ---*/
@@ -98,10 +93,20 @@ inline void omp_set_lock(omp_lock_t*){}
 inline void omp_unset_lock(omp_lock_t*){}
 inline void omp_destroy_lock(omp_lock_t*){}
 
+#endif // end OpenMP detection
+
+/*--- Detect SIMD support (version 4+, after Jul 2013). ---*/
+#ifdef _OPENMP
+#if _OPENMP >= 201307
+#define HAVE_OMP_SIMD
+#define SU2_OMP_SIMD PRAGMIZE(omp simd)
+#endif
+#endif
+#ifndef SU2_OMP_SIMD
+#define SU2_OMP_SIMD
 #endif
 
-/*--- Convenience macros (do not use excessive nesting of macros). ---*/
-#define SU2_OMP_SIMD SU2_OMP(simd)
+/*--- Convenience macros (do not use excessive nesting). ---*/
 
 #define SU2_OMP_MASTER SU2_OMP(master)
 #define SU2_OMP_ATOMIC SU2_OMP(atomic)
@@ -115,12 +120,6 @@ inline void omp_destroy_lock(omp_lock_t*){}
 #define SU2_OMP_FOR_DYN(CHUNK) SU2_OMP(for schedule(dynamic,CHUNK))
 #define SU2_OMP_FOR_STAT(CHUNK) SU2_OMP(for schedule(static,CHUNK))
 
-/*--- Disable some unsupported features. ---*/
-#ifndef HAVE_OMP_SIMD
-#undef SU2_OMP_SIMD
-#define SU2_OMP_SIMD
-#endif
-
 /*--- Convenience functions (e.g. to compute chunk sizes). ---*/
 
 /*!