Named SoA Support

Src/Particle/AMReX_ParticleContainer.H

@@ -60,6 +60,7 @@
 #include <memory>
 #include <numeric>
 #include <random>
+#include <string>
 #include <tuple>
 #include <type_traits>
 #include <utility>
@@ -1144,7 +1145,8 @@ public:
      */
     ParticleTileType& DefineAndReturnParticleTile (int lev, int grid, int tile)
     {
-        m_particles[lev][std::make_pair(grid, tile)].define(NumRuntimeRealComps(), NumRuntimeIntComps());
+        m_particles[lev][std::make_pair(grid, tile)].define(NumRuntimeRealComps(), NumRuntimeIntComps(), &m_soa_rdata_names, &m_soa_idata_names);
+
         return ParticlesAt(lev, grid, tile);
     }
 
@@ -1247,10 +1249,10 @@ public:
 
     Long superParticleSize() const { return superparticle_size; }
 
-    template <typename T,
-              std::enable_if_t<std::is_same_v<T,bool>,int> = 0>
-    void AddRealComp (T communicate=true)
+    void AddRealComp (std::string const & name, bool communicate=true)
     {
+        m_soa_rdata_names.push_back(name);
+
         m_runtime_comps_defined = true;
         m_num_runtime_real++;
         h_redistribute_real_comp.push_back(communicate);
@@ -1270,10 +1272,16 @@ public:
         }
     }
 
-    template <typename T,
-              std::enable_if_t<std::is_same_v<T,bool>,int> = 0>
-    void AddIntComp (T communicate=true)
+    void AddRealComp (bool communicate=true)
     {
+        std::string default_name = "runtime_real" + std::to_string(m_num_runtime_real);
+        AddRealComp(default_name, communicate);
+    }
+
+    void AddIntComp (std::string const & name, bool communicate=true)
+    {
+        m_soa_idata_names.push_back(name);
+
         m_runtime_comps_defined = true;
         m_num_runtime_int++;
         h_redistribute_int_comp.push_back(communicate);
@@ -1293,6 +1301,12 @@ public:
         }
     }
 
+    void AddIntComp (bool communicate=true)
+    {
+        std::string default_name = "runtime_int" + std::to_string(m_num_runtime_int);
+        AddIntComp(default_name, communicate);
+    }
+
     int NumRuntimeRealComps () const { return m_num_runtime_real; }
     int NumRuntimeIntComps  () const { return m_num_runtime_int;  }
 
@@ -1403,6 +1417,15 @@ public:
 #include "AMReX_ParticlesHDF5.H"
 #endif
 
+    /** Overwrite the default names for the compile-time SoA components */
+    void SetSoACompileTimeNames (std::vector<std::string> const & rdata_name, std::vector<std::string> const & idata_name);
+
+    /** Get the names for the real SoA components **/
+    std::vector<std::string> GetRealSoANames () const {return m_soa_rdata_names;}
+
+    /** Get the names for the int SoA components **/
+    std::vector<std::string> GetIntSoANames () const {return m_soa_idata_names;}
+
 protected:
 
     template <class RTYPE>
@@ -1435,6 +1458,10 @@ private:
     size_t particle_size, superparticle_size;
     int num_real_comm_comps, num_int_comm_comps;
     Vector<ParticleLevel> m_particles;
+
+    // names of both compile-time and runtime Real and Int SoA data
+    std::vector<std::string> m_soa_rdata_names;
+    std::vector<std::string> m_soa_idata_names;
 };
 
 template <int T_NStructReal, int T_NStructInt, int T_NArrayReal, int T_NArrayInt, template<class> class Allocator, class CellAssignor>

Src/Particle/AMReX_ParticleContainerI.H

@@ -1,6 +1,10 @@
-#include <type_traits>
 #include <AMReX_MakeParticle.H>
 
+#include <string>
+#include <type_traits>
+#include <vector>
+
+
 template <typename ParticleType, int NArrayReal, int NArrayInt,
           template<class> class Allocator, class CellAssignor>
 void
@@ -60,10 +64,51 @@ ParticleContainer_impl<ParticleType, NArrayReal, NArrayInt, Allocator, CellAssig
         pp.query("do_unlink", doUnlink);
         pp.queryAdd("do_mem_efficient_sort", memEfficientSort);
 
+        // add default names for SoA Real and Int compile-time arguments
+        int first_r_name = 0;
+        // push back x,y,z
+        if constexpr (ParticleType::is_soa_particle) {
+            constexpr int x_in_ascii = 120;
+            for (int i=0; i<AMREX_SPACEDIM; ++i)
+            {
+                std::string const name{char(x_in_ascii+i)};
+                m_soa_rdata_names.push_back(name);
+            }
+            first_r_name = AMREX_SPACEDIM;
+        }
+        for (int i=first_r_name; i<NArrayReal; ++i)
+        {
+            m_soa_rdata_names.push_back("real_comp" + std::to_string(i-first_r_name));
+        }
+        for (int i=0; i<NArrayInt; ++i)
+        {
+            m_soa_idata_names.push_back("int_comp" + std::to_string(i));
+        }
+
         initialized = true;
     }
 }
 
+template <typename ParticleType, int NArrayReal, int NArrayInt,
+        template<class> class Allocator, class CellAssignor>
+void
+ParticleContainer_impl<ParticleType, NArrayReal, NArrayInt, Allocator, CellAssignor> :: SetSoACompileTimeNames (
+    std::vector<std::string> const & rdata_name, std::vector<std::string> const & idata_name
+)
+{
+    AMREX_ALWAYS_ASSERT_WITH_MESSAGE(rdata_name.size() == NArrayReal, "rdata_name must be equal to NArrayReal");
+    AMREX_ALWAYS_ASSERT_WITH_MESSAGE(idata_name.size() == NArrayInt, "idata_name must be equal to NArrayInt");
+
+    for (int i=0; i<NArrayReal; ++i)
+    {
+        m_soa_rdata_names.at(i) = rdata_name.at(i);
+    }
+    for (int i=0; i<NArrayInt; ++i)
+    {
+        m_soa_idata_names.at(i) = idata_name.at(i);
+    }
+}
+
 template <typename ParticleType, int NArrayReal, int NArrayInt,
           template<class> class Allocator, class CellAssignor>
 template <typename P, typename Assignor>
@@ -1161,7 +1206,7 @@ ParticleContainer_impl<ParticleType, NArrayReal, NArrayInt, Allocator, CellAssig
         }
     } else {
         ParticleTileType ptile_tmp;
-        ptile_tmp.define(m_num_runtime_real, m_num_runtime_int);
+        ptile_tmp.define(m_num_runtime_real, m_num_runtime_int, &m_soa_rdata_names, &m_soa_idata_names);
         ptile_tmp.resize(np_total);
         // copy re-ordered particles
         gatherParticles(ptile_tmp, ptile, np, permutations);
@@ -1498,7 +1543,7 @@ ParticleContainer_impl<ParticleType, NArrayReal, NArrayInt, Allocator, CellAssig
             tmp_local[lev][index].resize(num_threads);
             soa_local[lev][index].resize(num_threads);
             for (int t = 0; t < num_threads; ++t) {
-                soa_local[lev][index][t].define(m_num_runtime_real, m_num_runtime_int);
+                soa_local[lev][index][t].define(m_num_runtime_real, m_num_runtime_int, &m_soa_rdata_names, &m_soa_idata_names);
             }
         }
     }

Src/Particle/AMReX_ParticleTile.H

@@ -11,7 +11,10 @@
 #include <AMReX_RealVect.H>
 
 #include <array>
+#include <string>
 #include <type_traits>
+#include <vector>
+
 
 namespace amrex {
 
@@ -730,10 +733,15 @@ struct ParticleTile
     ParticleTile& operator= (ParticleTile &&) noexcept = default;
 #endif
 
-    void define (int a_num_runtime_real, int a_num_runtime_int)
+    void define (
+        int a_num_runtime_real,
+        int a_num_runtime_int,
+        std::vector<std::string>* soa_rdata_names=nullptr,
+        std::vector<std::string>* soa_idata_names=nullptr
+    )
     {
         m_defined = true;
-        GetStructOfArrays().define(a_num_runtime_real, a_num_runtime_int);
+        GetStructOfArrays().define(a_num_runtime_real, a_num_runtime_int, soa_rdata_names, soa_idata_names);
         m_runtime_r_ptrs.resize(a_num_runtime_real);
         m_runtime_i_ptrs.resize(a_num_runtime_int);
         m_runtime_r_cptrs.resize(a_num_runtime_real);

Src/Particle/AMReX_StructOfArrays.H

@@ -6,7 +6,11 @@
 #include <AMReX_Vector.H>
 #include <AMReX_GpuContainers.H>
 
+#include <algorithm>
 #include <array>
+#include <string>
+#include <vector>
+
 
 namespace amrex {
 
@@ -19,11 +23,18 @@
     using RealVector = amrex::PODVector<ParticleReal, Allocator<ParticleReal> >;
     using IntVector = amrex::PODVector<int, Allocator<int> >;
 
-    void define (int a_num_runtime_real, int a_num_runtime_int)
+    void define (
+        int a_num_runtime_real,
+        int a_num_runtime_int,
+        std::vector<std::string>* soa_rdata_names=nullptr,
+        std::vector<std::string>* soa_idata_names=nullptr
+    )
     {
         m_defined = true;
         m_runtime_rdata.resize(a_num_runtime_real);
         m_runtime_idata.resize(a_num_runtime_int );
+        m_rdata_names = soa_rdata_names;
+        m_idata_names = soa_idata_names;
     }
 
     [[nodiscard]] int NumRealComps () const noexcept { return NReal + m_runtime_rdata.size(); }
@@ -79,6 +90,32 @@
         }
     }
 
+    /** Get access to a particle Real component Array (compile-time and runtime component)
+     *
+     * @param name named component component with 0...NReal-1 compile-time and NReal... runtime arguments
+     */
+    [[nodiscard]] RealVector& GetRealData (std::string const & name) {
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(m_rdata_names != nullptr, "SoA Real names were not defined.");
+        auto const pos = std::find(m_rdata_names->begin(), m_rdata_names->end(), name);
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(pos != m_rdata_names->end(), "Soa Real name='" + name + "' was not found components");
+
+        int const index = std::distance(m_rdata_names->begin(), pos);
+        return GetRealData(index);
+    }
+
+    /** Get access to a particle Real component Array (compile-time and runtime component)
+     *
+     * @param name named component component with 0...NReal-1 compile-time and NReal... runtime arguments
+     */
+    [[nodiscard]] const RealVector& GetRealData (std::string const & name) const {
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(m_rdata_names != nullptr, "SoA Real names were not defined.");
+        auto const pos = std::find(m_rdata_names->begin(), m_rdata_names->end(), name);
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(pos != m_rdata_names->end(), "Soa Real name='" + name + "' was not found components");
+
+        int const index = std::distance(m_rdata_names->begin(), pos);
+        return GetRealData(index);
+    }
+
     /** Get access to a particle Int component Array (compile-time and runtime component)
      *
      * @param index component with 0...NInt-1 compile-time and NInt... runtime arguments
@@ -118,6 +155,34 @@
         }
     }
 
+    /** Get access to a particle Int component Array (compile-time and runtime component)
+     *
+     * @param index component with 0...NInt-1 compile-time and NInt... runtime arguments
+     * @return
+     */
+    [[nodiscard]] IntVector& GetIntData (std::string const & name) {
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(m_idata_names != nullptr, "SoA Int names were not defined.");
+        auto const pos = std::find(m_idata_names->begin(), m_idata_names->end(), name);
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(pos != m_idata_names->end(), "Soa Int name='" + name + "' was not found components");
+
+        int const index = std::distance(m_idata_names->begin(), pos);
+        return GetIntData(index);
+    }
+
+    /** Get access to a particle Int component Array (compile-time and runtime component)
+     *
+     * @param index component with 0...NInt-1 compile-time and NInt... runtime arguments
+     * @return
+     */
+    [[nodiscard]] const IntVector& GetIntData (std::string const & name) const {
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(m_idata_names != nullptr, "SoA Int names were not defined.");
+        auto const pos = std::find(m_idata_names->begin(), m_idata_names->end(), name);
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(pos != m_idata_names->end(), "Soa Int name='" + name + "' was not found components");
+
+        int const index = std::distance(m_idata_names->begin(), pos);
+        return GetIntData(index);
+    }
+
     /**
     * \brief Returns the total number of particles (real and neighbor)
     *
@@ -226,13 +291,20 @@
     int m_num_neighbor_particles{0};
 
 private:
+    // compile-time data
     IdCPU m_idcpu;
     std::array<RealVector, NReal> m_rdata;
     std::array< IntVector,  NInt> m_idata;
 
+    // runtime data
     std::vector<RealVector> m_runtime_rdata;
     std::vector<IntVector > m_runtime_idata;
 
+    // names of both compile-time and runtime Real and Int data
+    std::vector<std::string>* m_rdata_names = nullptr;
+    std::vector<std::string>* m_idata_names = nullptr;
+
+    //! whether the runtime components are sized correctly
     bool m_defined{false};
 };
 

Tests/Particles/NamedSoAComponents/CMakeLists.txt

@@ -0,0 +1,10 @@
+foreach(D IN LISTS AMReX_SPACEDIM)
+    set(_sources     main.cpp)
+    #set(_input_files)
+    #set(_input_files inputs)
+
+    setup_test(${D} _sources _input_files NTHREADS 2)
+
+    unset(_sources)
+    unset(_input_files)
+endforeach()

Tests/Particles/NamedSoAComponents/GNUmakefile

@@ -0,0 +1,22 @@
+AMREX_HOME = ../../../
+
+DEBUG	= FALSE
+
+DIM	= 3
+
+COMP    = gcc
+
+USE_MPI   = TRUE
+USE_OMP   = FALSE
+USE_CUDA  = FALSE
+
+#TINY_PROFILE = TRUE
+USE_PARTICLES = TRUE
+
+include $(AMREX_HOME)/Tools/GNUMake/Make.defs
+
+include ./Make.package
+include $(AMREX_HOME)/Src/Base/Make.package
+include $(AMREX_HOME)/Src/Particle/Make.package
+
+include $(AMREX_HOME)/Tools/GNUMake/Make.rules

Tests/Particles/NamedSoAComponents/Make.package

@@ -0,0 +1 @@
+CEXE_sources += main.cpp