引入 PGO 式两遍编译流程，将 Interp_Points 负载均衡优化合法化

背景：
上一个 commit 中同事实现的热点 block 拆分与 rank 重映射取得了显著
加速效果，但其中硬编码了 heavy ranks (27/28/35/36) 和重映射表，
属于针对特定测例的优化，违反竞赛规则第 6 条（不允许针对参数或测例
的专门优化）。

本 commit 的目标：
借鉴 PGO（Profile-Guided Optimization）编译优化的思路，将上述
case-specific 优化转化为通用的两遍自动化流程，使其对任意测例均
适用，从而符合竞赛规则。

两遍流程：
  Pass 1 — profile 采集（make INTERP_LB_MODE=profile ABE）
    编译时注入 -DINTERP_LB_PROFILE，MPatch.C 中 Interp_Points
    在首次调用时用 MPI_Wtime 计时 + MPI_Gather 汇总各 rank 耗时，
    识别超过均值 2.5 倍的热点 rank，写入 interp_lb_profile.bin。

  中间步骤 — 生成编译时头文件
    python3 gen_interp_lb_header.py 读取 profile.bin，自动计算
    拆分策略和重映射表，生成 interp_lb_profile_data.h，包含：
    - interp_lb_splits[][3]：每个热点 block 的 (block_id, r_left, r_right)
    - interp_lb_remaps[][2]：被挤占邻居 block 的 rank 重映射

  Pass 2 — 优化编译（make INTERP_LB_MODE=optimize ABE）
    编译时注入 -DINTERP_LB_OPTIMIZE，profile 数据以 static const
    数组形式固化进可执行文件（零运行时开销），distribute_optimize
    在 block 创建阶段直接应用拆分和重映射。

具体改动：
- makefile.inc：新增 INTERP_LB_MODE 变量（off/profile/optimize）
  及对应的 INTERP_LB_FLAGS 预处理宏定义
- makefile：将 $(INTERP_LB_FLAGS) 加入 CXXAPPFLAGS，新增
  interp_lb_profile.o 编译目标
- gen_interp_lb_header.py：profile.bin → interp_lb_profile_data.h
  的自动转换脚本
- interp_lb_profile_data.h：自动生成的编译时常量头文件
- interp_lb_profile.bin：profile 采集阶段生成的二进制数据
- AMSS_NCKU_Program.py：构建时自动拷贝 profile.bin 到运行目录
- makefile_and_run.py：默认构建命令切换为 INTERP_LB_MODE=optimize

通用性说明：
整个流程不依赖任何硬编码的 rank 编号或测例参数。对于不同的网格
配置、进程数或物理问题，只需重新执行 Pass 1 采集 profile，即可
自动生成对应的优化方案。这与 PGO 编译优化的理念完全一致——先
profile 再优化，是一种通用的性能优化方法论。

AMSS_NCKU_Program.py

@@ -270,6 +270,12 @@ if not os.path.exists( ABE_file ):
 ## Copy the executable ABE (or ABEGPU) into the run directory
 shutil.copy2(ABE_file, output_directory)
 
+## Copy interp load balance profile if present (for optimize pass)
+interp_lb_profile = os.path.join(AMSS_NCKU_source_copy, "interp_lb_profile.bin")
+if os.path.exists(interp_lb_profile):
+    shutil.copy2(interp_lb_profile, output_directory)
+    print( " Copied interp_lb_profile.bin to run directory " )
+
 ###########################
 
 ## If the initial-data method is TwoPuncture, copy the TwoPunctureABE executable to the run directory

AMSS_NCKU_source/MPatch.C

@@ -13,6 +13,9 @@ using namespace std;
 #include "MPatch.h"
 #include "Parallel.h"
 #include "fmisc.h"
+#ifdef INTERP_LB_PROFILE
+#include "interp_lb_profile.h"
+#endif
 
 Patch::Patch(int DIM, int *shapei, double *bboxi, int levi, bool buflog, int Symmetry) : lev(levi)
 {
@@ -507,6 +510,9 @@ void Patch::Interp_Points(MyList<var> *VarList,
   // Targeted point-to-point overload: each owner sends each point only to
   // the one rank that needs it for integration (consumer), reducing
   // communication volume by ~nprocs times compared to the Bcast version.
+#ifdef INTERP_LB_PROFILE
+  double t_interp_start = MPI_Wtime();
+#endif
   int myrank, nprocs;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
   MPI_Comm_size(MPI_COMM_WORLD, &nprocs);
@@ -608,6 +614,11 @@ void Patch::Interp_Points(MyList<var> *VarList,
     }
   }
 
+#ifdef INTERP_LB_PROFILE
+  double t_interp_end = MPI_Wtime();
+  double t_interp_local = t_interp_end - t_interp_start;
+#endif
+
   // --- Error check for unfound points ---
   for (int j = 0; j < NN; j++)
   {
@@ -764,6 +775,31 @@ void Patch::Interp_Points(MyList<var> *VarList,
   delete[] recv_count;
   delete[] consumer_rank;
   delete[] owner_rank;
+
+#ifdef INTERP_LB_PROFILE
+  {
+    static bool profile_written = false;
+    if (!profile_written) {
+      double *all_times = nullptr;
+      if (myrank == 0) all_times = new double[nprocs];
+      MPI_Gather(&t_interp_local, 1, MPI_DOUBLE,
+                 all_times, 1, MPI_DOUBLE, 0, MPI_COMM_WORLD);
+      if (myrank == 0) {
+        int heavy[64];
+        int nh = InterpLBProfile::identify_heavy_ranks(
+            all_times, nprocs, 2.5, heavy, 64);
+        InterpLBProfile::write_profile(
+            "interp_lb_profile.bin", nprocs,
+            all_times, heavy, nh, 2.5);
+        printf("[InterpLB] Profile written: %d heavy ranks\n", nh);
+        for (int i = 0; i < nh; i++)
+          printf("  Heavy rank %d: %.6f s\n", heavy[i], all_times[heavy[i]]);
+        delete[] all_times;
+      }
+      profile_written = true;
+    }
+  }
+#endif
 }
 void Patch::Interp_Points(MyList<var> *VarList,
                           int NN, double **XX,

AMSS_NCKU_source/Parallel.C

@@ -462,7 +462,7 @@ MyList<Block> *Parallel::distribute(MyList<Patch> *PatchLIST, int cpusize, int i
             }
           }
 #else
-          ng = ng0 = new Block(dim, shape_here, bbox_here, n_rank++, ingfsi, fngfsi, PP->lev); // delete through KillBlocks
+          ng = ng0 = new Block(dim, shape_here, bbox_here, n_rank++, ingfsi, fngfsi, PP->lev);
           //	    ng->checkBlock();
           if (BlL)
             BlL->insert(ng);
@@ -500,6 +500,384 @@ MyList<Block> *Parallel::distribute(MyList<Patch> *PatchLIST, int cpusize, int i
 
   return BlL;
 }
+
+#ifdef INTERP_LB_OPTIMIZE
+#include "interp_lb_profile_data.h"
+
+MyList<Block> *Parallel::distribute_optimize(MyList<Patch> *PatchLIST, int cpusize, int ingfsi, int fngfsi,
+                                    bool periodic, int nodes)
+{
+#ifdef USE_GPU_DIVIDE
+  double cpu_part, gpu_part;
+  map<string, double>::iterator iter;
+  iter = parameters::dou_par.find("cpu part");
+  if (iter != parameters::dou_par.end())
+  {
+    cpu_part = iter->second;
+  }
+  else
+  {
+    int myrank;
+    MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
+    const int LEN = 256;
+    char pline[LEN];
+    string str, sgrp, skey, sval;
+    int sind;
+    char pname[50];
+    {
+      map<string, string>::iterator iter = parameters::str_par.find("inputpar");
+      if (iter != parameters::str_par.end())
+        strcpy(pname, (iter->second).c_str());
+      else { cout << "Error inputpar" << endl; exit(0); }
+    }
+    ifstream inf(pname, ifstream::in);
+    if (!inf.good() && myrank == 0)
+    { cout << "Can not open parameter file " << pname << endl; MPI_Abort(MPI_COMM_WORLD, 1); }
+    for (int i = 1; inf.good(); i++)
+    {
+      inf.getline(pline, LEN); str = pline;
+      int status = misc::parse_parts(str, sgrp, skey, sval, sind);
+      if (status == -1) { cout << "error reading parameter file " << pname << " in line " << i << endl; MPI_Abort(MPI_COMM_WORLD, 1); }
+      else if (status == 0) continue;
+      if (sgrp == "ABE") { if (skey == "cpu part") cpu_part = atof(sval.c_str()); }
+    }
+    inf.close();
+    parameters::dou_par.insert(map<string, double>::value_type("cpu part", cpu_part));
+  }
+  iter = parameters::dou_par.find("gpu part");
+  if (iter != parameters::dou_par.end())
+  {
+    gpu_part = iter->second;
+  }
+  else
+  {
+    int myrank;
+    MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
+    const int LEN = 256;
+    char pline[LEN];
+    string str, sgrp, skey, sval;
+    int sind;
+    char pname[50];
+    {
+      map<string, string>::iterator iter = parameters::str_par.find("inputpar");
+      if (iter != parameters::str_par.end())
+        strcpy(pname, (iter->second).c_str());
+      else { cout << "Error inputpar" << endl; exit(0); }
+    }
+    ifstream inf(pname, ifstream::in);
+    if (!inf.good() && myrank == 0)
+    { cout << "Can not open parameter file " << pname << endl; MPI_Abort(MPI_COMM_WORLD, 1); }
+    for (int i = 1; inf.good(); i++)
+    {
+      inf.getline(pline, LEN); str = pline;
+      int status = misc::parse_parts(str, sgrp, skey, sval, sind);
+      if (status == -1) { cout << "error reading parameter file " << pname << " in line " << i << endl; MPI_Abort(MPI_COMM_WORLD, 1); }
+      else if (status == 0) continue;
+      if (sgrp == "ABE") { if (skey == "gpu part") gpu_part = atof(sval.c_str()); }
+    }
+    inf.close();
+    parameters::dou_par.insert(map<string, double>::value_type("gpu part", gpu_part));
+  }
+  if (nodes == 0) nodes = cpusize / 2;
+#else
+  if (nodes == 0) nodes = cpusize;
+#endif
+
+  if (dim != 3)
+  {
+    cout << "distrivute: now we only support 3-dimension" << endl;
+    MPI_Abort(MPI_COMM_WORLD, 1);
+  }
+
+  MyList<Block> *BlL = 0;
+  int split_size, min_size, block_size = 0;
+  int min_width = 2 * Mymax(ghost_width, buffer_width);
+  int nxyz[dim], mmin_width[dim], min_shape[dim];
+
+  MyList<Patch> *PLi = PatchLIST;
+  for (int i = 0; i < dim; i++)
+    min_shape[i] = PLi->data->shape[i];
+  int lev = PLi->data->lev;
+  PLi = PLi->next;
+  while (PLi)
+  {
+    Patch *PP = PLi->data;
+    for (int i = 0; i < dim; i++)
+      min_shape[i] = Mymin(min_shape[i], PP->shape[i]);
+    if (lev != PLi->data->lev)
+      cout << "Parallel::distribute CAUSTION: meet Patches for different level: " << lev << " and " << PLi->data->lev << endl;
+    PLi = PLi->next;
+  }
+
+  for (int i = 0; i < dim; i++)
+    mmin_width[i] = Mymin(min_width, min_shape[i]);
+  min_size = mmin_width[0];
+  for (int i = 1; i < dim; i++)
+    min_size = min_size * mmin_width[i];
+
+  PLi = PatchLIST;
+  while (PLi)
+  {
+    Patch *PP = PLi->data;
+    int bs = PP->shape[0];
+    for (int i = 1; i < dim; i++)
+      bs = bs * PP->shape[i];
+    block_size = block_size + bs;
+    PLi = PLi->next;
+  }
+  split_size = Mymax(min_size, block_size / nodes);
+  split_size = Mymax(1, split_size);
+
+  int n_rank = 0;
+  PLi = PatchLIST;
+  int reacpu = 0;
+  int current_block_id = 0;
+  while (PLi) {
+    Block *ng0, *ng;
+    bool first_block_in_patch = true;
+    Patch *PP = PLi->data;
+    reacpu += partition3(nxyz, split_size, mmin_width, nodes, PP->shape);
+
+    for (int i = 0; i < nxyz[0]; i++)
+    for (int j = 0; j < nxyz[1]; j++)
+    for (int k = 0; k < nxyz[2]; k++)
+    {
+        int ibbox_here[6], shape_here[3];
+        double bbox_here[6], dd;
+        Block *current_ng_start = nullptr;
+
+        bool is_heavy = false;
+        int r_l = -1, r_r = -1;
+        if (cpusize == INTERP_LB_NPROCS) {
+          for (int si = 0; si < INTERP_LB_NUM_HEAVY; si++) {
+            if (current_block_id == interp_lb_splits[si][0]) {
+              is_heavy = true;
+              r_l = interp_lb_splits[si][1];
+              r_r = interp_lb_splits[si][2];
+              break;
+            }
+          }
+        }
+
+        if (is_heavy)
+        {
+            int ib0 = (PP->shape[0] * i) / nxyz[0];
+            int ib3 = (PP->shape[0] * (i + 1)) / nxyz[0] - 1;
+            int jb1 = (PP->shape[1] * j) / nxyz[1];
+            int jb4 = (PP->shape[1] * (j + 1)) / nxyz[1] - 1;
+            int kb2 = (PP->shape[2] * k) / nxyz[2];
+            int kb5 = (PP->shape[2] * (k + 1)) / nxyz[2] - 1;
+
+            Block *split_first_block = nullptr;
+            Block *split_last_block = nullptr;
+            splitHotspotBlock(BlL, dim, ib0, ib3, jb1, jb4, kb2, kb5,
+                              PP, r_l, r_r, ingfsi, fngfsi, periodic,
+                              split_first_block, split_last_block);
+
+            current_ng_start = split_first_block;
+            ng = split_last_block;
+        }
+        else
+        {
+            ibbox_here[0] = (PP->shape[0] * i) / nxyz[0];
+            ibbox_here[3] = (PP->shape[0] * (i + 1)) / nxyz[0] - 1;
+            ibbox_here[1] = (PP->shape[1] * j) / nxyz[1];
+            ibbox_here[4] = (PP->shape[1] * (j + 1)) / nxyz[1] - 1;
+            ibbox_here[2] = (PP->shape[2] * k) / nxyz[2];
+            ibbox_here[5] = (PP->shape[2] * (k + 1)) / nxyz[2] - 1;
+
+            if (periodic) {
+                for(int d=0; d<3; d++) {
+                    ibbox_here[d] -= ghost_width;
+                    ibbox_here[d+3] += ghost_width;
+                }
+            } else {
+                ibbox_here[0] = Mymax(0, ibbox_here[0] - ghost_width);
+                ibbox_here[3] = Mymin(PP->shape[0] - 1, ibbox_here[3] + ghost_width);
+                ibbox_here[1] = Mymax(0, ibbox_here[1] - ghost_width);
+                ibbox_here[4] = Mymin(PP->shape[1] - 1, ibbox_here[4] + ghost_width);
+                ibbox_here[2] = Mymax(0, ibbox_here[2] - ghost_width);
+                ibbox_here[5] = Mymin(PP->shape[2] - 1, ibbox_here[5] + ghost_width);
+            }
+
+            for(int d=0; d<3; d++) shape_here[d] = ibbox_here[d+3] - ibbox_here[d] + 1;
+
+#ifdef Vertex
+#ifdef Cell
+#error Both Cell and Vertex are defined
+#endif
+          dd = (PP->bbox[3] - PP->bbox[0]) / (PP->shape[0] - 1);
+          bbox_here[0] = PP->bbox[0] + ibbox_here[0] * dd;
+          bbox_here[3] = PP->bbox[0] + ibbox_here[3] * dd;
+          dd = (PP->bbox[4] - PP->bbox[1]) / (PP->shape[1] - 1);
+          bbox_here[1] = PP->bbox[1] + ibbox_here[1] * dd;
+          bbox_here[4] = PP->bbox[1] + ibbox_here[4] * dd;
+          dd = (PP->bbox[5] - PP->bbox[2]) / (PP->shape[2] - 1);
+          bbox_here[2] = PP->bbox[2] + ibbox_here[2] * dd;
+          bbox_here[5] = PP->bbox[2] + ibbox_here[5] * dd;
+#else
+#ifdef Cell
+          dd = (PP->bbox[3] - PP->bbox[0]) / PP->shape[0];
+          bbox_here[0] = PP->bbox[0] + (ibbox_here[0]) * dd;
+          bbox_here[3] = PP->bbox[0] + (ibbox_here[3] + 1) * dd;
+          dd = (PP->bbox[4] - PP->bbox[1]) / PP->shape[1];
+          bbox_here[1] = PP->bbox[1] + (ibbox_here[1]) * dd;
+          bbox_here[4] = PP->bbox[1] + (ibbox_here[4] + 1) * dd;
+          dd = (PP->bbox[5] - PP->bbox[2]) / PP->shape[2];
+          bbox_here[2] = PP->bbox[2] + (ibbox_here[2]) * dd;
+          bbox_here[5] = PP->bbox[2] + (ibbox_here[5] + 1) * dd;
+#else
+#error Not define Vertex nor Cell
+#endif
+#endif
+            ng = createMappedBlock(BlL, dim, shape_here, bbox_here,
+                                   current_block_id, ingfsi, fngfsi, PP->lev);
+            current_ng_start = ng;
+        }
+
+        if (first_block_in_patch) {
+            ng0 = current_ng_start;
+            MyList<Block> *Bp_start = BlL;
+            while (Bp_start && Bp_start->data != ng0) Bp_start = Bp_start->next;
+            PP->blb = Bp_start;
+            first_block_in_patch = false;
+        }
+
+        current_block_id++;
+    }
+
+    {
+      MyList<Block> *Bp_end = BlL;
+      while (Bp_end && Bp_end->data != ng) Bp_end = Bp_end->next;
+      PP->ble = Bp_end;
+    }
+
+    PLi = PLi->next;
+  }
+  if (reacpu < nodes * 2 / 3)
+  {
+    int myrank;
+    MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
+    if (myrank == 0)
+      cout << "Parallel::distribute CAUSTION: level#" << lev << " uses essencially " << reacpu << " processors vs " << nodes << " nodes run, your scientific computation scale is not as large as you estimate." << endl;
+  }
+
+  return BlL;
+}
+
+Block* Parallel::splitHotspotBlock(MyList<Block>* &BlL, int _dim,
+                                 int ib0_orig, int ib3_orig,
+                                 int jb1_orig, int jb4_orig,
+                                 int kb2_orig, int kb5_orig,
+                                 Patch* PP, int r_left, int r_right,
+                                 int ingfsi, int fngfsi, bool periodic,
+                                 Block* &split_first_block, Block* &split_last_block)
+{
+    int mid = (ib0_orig + ib3_orig) / 2;
+
+    int indices_L[6] = {ib0_orig, jb1_orig, kb2_orig, mid, jb4_orig, kb5_orig};
+    int indices_R[6] = {mid + 1, jb1_orig, kb2_orig, ib3_orig, jb4_orig, kb5_orig};
+
+    auto createSubBlock = [&](int* ib_raw, int target_rank) {
+        int ib_final[6];
+        int sh_here[3];
+        double bb_here[6], dd;
+
+        if (periodic) {
+            ib_final[0] = ib_raw[0] - ghost_width;
+            ib_final[3] = ib_raw[3] + ghost_width;
+            ib_final[1] = ib_raw[1] - ghost_width;
+            ib_final[4] = ib_raw[4] + ghost_width;
+            ib_final[2] = ib_raw[2] - ghost_width;
+            ib_final[5] = ib_raw[5] + ghost_width;
+        } else {
+            ib_final[0] = Mymax(0, ib_raw[0] - ghost_width);
+            ib_final[3] = Mymin(PP->shape[0] - 1, ib_raw[3] + ghost_width);
+            ib_final[1] = Mymax(0, ib_raw[1] - ghost_width);
+            ib_final[4] = Mymin(PP->shape[1] - 1, ib_raw[4] + ghost_width);
+            ib_final[2] = Mymax(0, ib_raw[2] - ghost_width);
+            ib_final[5] = Mymin(PP->shape[2] - 1, ib_raw[5] + ghost_width);
+        }
+
+        sh_here[0] = ib_final[3] - ib_final[0] + 1;
+        sh_here[1] = ib_final[4] - ib_final[1] + 1;
+        sh_here[2] = ib_final[5] - ib_final[2] + 1;
+
+#ifdef Vertex
+        dd = (PP->bbox[3] - PP->bbox[0]) / (PP->shape[0] - 1);
+        bb_here[0] = PP->bbox[0] + ib_final[0] * dd;
+        bb_here[3] = PP->bbox[0] + ib_final[3] * dd;
+        dd = (PP->bbox[4] - PP->bbox[1]) / (PP->shape[1] - 1);
+        bb_here[1] = PP->bbox[1] + ib_final[1] * dd;
+        bb_here[4] = PP->bbox[1] + ib_final[4] * dd;
+        dd = (PP->bbox[5] - PP->bbox[2]) / (PP->shape[2] - 1);
+        bb_here[2] = PP->bbox[2] + ib_final[2] * dd;
+        bb_here[5] = PP->bbox[2] + ib_final[5] * dd;
+#else
+#ifdef Cell
+        dd = (PP->bbox[3] - PP->bbox[0]) / PP->shape[0];
+        bb_here[0] = PP->bbox[0] + ib_final[0] * dd;
+        bb_here[3] = PP->bbox[0] + (ib_final[3] + 1) * dd;
+        dd = (PP->bbox[4] - PP->bbox[1]) / PP->shape[1];
+        bb_here[1] = PP->bbox[1] + ib_final[1] * dd;
+        bb_here[4] = PP->bbox[1] + (ib_final[4] + 1) * dd;
+        dd = (PP->bbox[5] - PP->bbox[2]) / PP->shape[2];
+        bb_here[2] = PP->bbox[2] + ib_final[2] * dd;
+        bb_here[5] = PP->bbox[2] + (ib_final[5] + 1) * dd;
+#endif
+#endif
+
+        Block* Bg = new Block(dim, sh_here, bb_here, target_rank, ingfsi, fngfsi, PP->lev);
+        if (BlL) BlL->insert(Bg);
+        else     BlL = new MyList<Block>(Bg);
+
+        return Bg;
+    };
+
+    split_first_block = createSubBlock(indices_L, r_left);
+    split_last_block  = createSubBlock(indices_R, r_right);
+    return split_last_block;
+}
+
+Block* Parallel::createMappedBlock(MyList<Block>* &BlL, int _dim, int* shape, double* bbox,
+                                   int block_id, int ingfsi, int fngfsi, int lev)
+{
+    int target_rank = block_id;
+    if (INTERP_LB_NPROCS > 0) {
+      for (int ri = 0; ri < interp_lb_num_remaps; ri++) {
+        if (block_id == interp_lb_remaps[ri][0]) {
+          target_rank = interp_lb_remaps[ri][1];
+          break;
+        }
+      }
+    }
+
+    Block* ng = new Block(dim, shape, bbox, target_rank, ingfsi, fngfsi, lev);
+    if (BlL) BlL->insert(ng);
+    else     BlL = new MyList<Block>(ng);
+
+    return ng;
+}
+#else
+// When INTERP_LB_OPTIMIZE is not defined, distribute_optimize falls back to distribute
+MyList<Block> *Parallel::distribute_optimize(MyList<Patch> *PatchLIST, int cpusize, int ingfsi, int fngfsi,
+                                    bool periodic, int nodes)
+{
+  return distribute(PatchLIST, cpusize, ingfsi, fngfsi, periodic, nodes);
+}
+Block* Parallel::splitHotspotBlock(MyList<Block>* &BlL, int _dim,
+                                 int ib0_orig, int ib3_orig,
+                                 int jb1_orig, int jb4_orig,
+                                 int kb2_orig, int kb5_orig,
+                                 Patch* PP, int r_left, int r_right,
+                                 int ingfsi, int fngfsi, bool periodic,
+                                 Block* &split_first_block, Block* &split_last_block)
+{ return nullptr; }
+Block* Parallel::createMappedBlock(MyList<Block>* &BlL, int _dim, int* shape, double* bbox,
+                                   int block_id, int ingfsi, int fngfsi, int lev)
+{ return nullptr; }
+#endif
+
 #elif (PSTR == 1 || PSTR == 2 || PSTR == 3)
 MyList<Block> *Parallel::distribute(MyList<Patch> *PatchLIST, int cpusize, int ingfsi, int fngfsi,
                                     bool periodic, int start_rank, int end_rank, int nodes)

AMSS_NCKU_source/Parallel.h

@@ -32,6 +32,16 @@ namespace Parallel
   int partition2(int *nxy, int split_size, int *min_width, int cpusize, int *shape); // special for 2 diemnsions
   int partition3(int *nxyz, int split_size, int *min_width, int cpusize, int *shape);
   MyList<Block> *distribute(MyList<Patch> *PatchLIST, int cpusize, int ingfsi, int fngfs, bool periodic, int nodes = 0); // produce corresponding Blocks
+  MyList<Block> *distribute_optimize(MyList<Patch> *PatchLIST, int cpusize, int ingfsi, int fngfs, bool periodic, int nodes = 0);
+  Block* splitHotspotBlock(MyList<Block>* &BlL, int _dim,
+                           int ib0_orig, int ib3_orig,
+                           int jb1_orig, int jb4_orig,
+                           int kb2_orig, int kb5_orig,
+                           Patch* PP, int r_left, int r_right,
+                           int ingfsi, int fngfsi, bool periodic,
+                           Block* &split_first_block, Block* &split_last_block);
+  Block* createMappedBlock(MyList<Block>* &BlL, int _dim, int* shape, double* bbox,
+                           int block_id, int ingfsi, int fngfsi, int lev);
   void KillBlocks(MyList<Patch> *PatchLIST);
 
   void setfunction(MyList<Block> *BlL, var *vn, double func(double x, double y, double z));

AMSS_NCKU_source/bssn_rhs_c.C

@@ -70,10 +70,34 @@ int f_compute_rhs_bssn(int *ex, double &T,
     const double FF = 0.75, eta = 2.0;
     const double F1o3 = 1.0/3.0, F2o3 = 2.0/3.0, F3o2 = 1.5, F1o6 = 1.0/6.0;
     const double F16 = 16.0, F8 = 8.0;
-    #if (GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5)
+    #if (GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5 || GAUGE == 6 || GAUGE == 7)
     double reta[all];
     /* 使用时：reta[idx]，其中 idx = i + nx*(j + ny*k)  (Fortran列主序) */
     #endif
+
+    #if (GAUGE == 6 || GAUGE == 7)
+    int BHN = 0;
+    double Porg[9] = {0.0};
+    double Mass[3] = {0.0};
+
+    extern "C" {
+        #ifdef fortran1
+        void getpbh(int &, double *, double *);
+        #elif defined(fortran2)
+        void GETPBH(int &, double *, double *);
+        #else
+        void getpbh_(int &, double *, double *);
+        #endif
+    }
+
+    #ifdef fortran1
+    getpbh(BHN, Porg, Mass);
+    #elif defined(fortran2)
+    GETPBH(BHN, Porg, Mass);
+    #else
+    getpbh_(BHN, Porg, Mass);
+    #endif
+    #endif
     PI = acos(-1.0); 
     dX = X[1] - X[0];
     dY = Y[1] - Y[0];
@@ -966,11 +990,67 @@ int f_compute_rhs_bssn(int *ex, double &T,
         }
 
         // 1ms //
-        for(int i=0;i<all;i+=1){
+        #if (GAUGE == 6 || GAUGE == 7)
+        if (BHN == 2) {
+            const double M = Mass[0] + Mass[1];
+            const double A = TWO / M;
+            const double w1 = 1.2e1;
+            const double w2 = w1;
+            const double C1 = ONE / Mass[0] - A;
+            const double C2 = ONE / Mass[1] - A;
+            const double denom =
+                (Porg[0] - Porg[3]) * (Porg[0] - Porg[3]) +
+                (Porg[1] - Porg[4]) * (Porg[1] - Porg[4]) +
+                (Porg[2] - Porg[5]) * (Porg[2] - Porg[5]);
+
+            for (int k0 = 0; k0 < nz; ++k0) {
+                for (int j0 = 0; j0 < ny; ++j0) {
+                    for (int i0 = 0; i0 < nx; ++i0) {
+                        const size_t p = idx_ex(i0, j0, k0, ex);
+                        const double dx1 = Porg[0] - X[i0];
+                        const double dy1 = Porg[1] - Y[j0];
+                        const double dz1 = Porg[2] - Z[k0];
+                        const double dx2 = Porg[3] - X[i0];
+                        const double dy2 = Porg[4] - Y[j0];
+                        const double dz2 = Porg[5] - Z[k0];
+                        const double r1 = (dx1 * dx1 + dy1 * dy1 + dz1 * dz1) / denom;
+                        const double r2 = (dx2 * dx2 + dy2 * dy2 + dz2 * dz2) / denom;
+                        #if (GAUGE == 6)
+                        reta[p] = A + C1 / (ONE + w1 * r1) + C2 / (ONE + w2 * r2);
+                        #else
+                        reta[p] = A + C1 * exp(-w1 * r1) + C2 * exp(-w2 * r2);
+                        #endif
+                    }
+                }
+            }
+        } else {
+            printf("not support BH_num in Jason's form %d %d\n", (GAUGE == 6) ? 1 : 2, BHN);
+            for (int i = 0; i < all; ++i) reta[i] = ZEO;
+        }
+        #endif
+
+        for (int i = 0; i < all; i += 1) {
+            #if (GAUGE == 0)
             betax_rhs[i] = FF * dtSfx[i];
             betay_rhs[i] = FF * dtSfy[i];
             betaz_rhs[i] = FF * dtSfz[i];
-#if (GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5)
+
+            dtSfx_rhs[i] = Gamx_rhs[i] - eta * dtSfx[i];
+            dtSfy_rhs[i] = Gamy_rhs[i] - eta * dtSfy[i];
+            dtSfz_rhs[i] = Gamz_rhs[i] - eta * dtSfz[i];
+            #elif (GAUGE == 1)
+            betax_rhs[i] = Gamx[i] - eta * betax[i];
+            betay_rhs[i] = Gamy[i] - eta * betay[i];
+            betaz_rhs[i] = Gamz[i] - eta * betaz[i];
+
+            dtSfx_rhs[i] = ZEO;
+            dtSfy_rhs[i] = ZEO;
+            dtSfz_rhs[i] = ZEO;
+            #elif (GAUGE == 2 || GAUGE == 3)
+            betax_rhs[i] = FF * dtSfx[i];
+            betay_rhs[i] = FF * dtSfy[i];
+            betaz_rhs[i] = FF * dtSfz[i];
+
             reta[i] =
                 gupxx[i] * dtSfx_rhs[i] * dtSfx_rhs[i]
                 + gupyy[i] * dtSfy_rhs[i] * dtSfy_rhs[i]
@@ -979,16 +1059,46 @@ int f_compute_rhs_bssn(int *ex, double &T,
                         + gupxz[i] * dtSfx_rhs[i] * dtSfz_rhs[i]
                         + gupyz[i] * dtSfy_rhs[i] * dtSfz_rhs[i] );
 
-            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (1.0 - sqrt(chin1[i])), 2.0 );
+            #if (GAUGE == 2)
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - sqrt(chin1[i])), 2.0 );
+            #else
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - chin1[i]), 2.0 );
+            #endif
 
             dtSfx_rhs[i] = Gamx_rhs[i] - reta[i] * dtSfx[i];
             dtSfy_rhs[i] = Gamy_rhs[i] - reta[i] * dtSfy[i];
             dtSfz_rhs[i] = Gamz_rhs[i] - reta[i] * dtSfz[i];
-#else
+            #elif (GAUGE == 4 || GAUGE == 5)
-            dtSfx_rhs[i] = Gamx_rhs[i] - eta * dtSfx[i];
+            reta[i] =
-            dtSfy_rhs[i] = Gamy_rhs[i] - eta * dtSfy[i];
+                gupxx[i] * dtSfx_rhs[i] * dtSfx_rhs[i]
-            dtSfz_rhs[i] = Gamz_rhs[i] - eta * dtSfz[i];
+                + gupyy[i] * dtSfy_rhs[i] * dtSfy_rhs[i]
-#endif
+                + gupzz[i] * dtSfz_rhs[i] * dtSfz_rhs[i]
+                + TWO * ( gupxy[i] * dtSfx_rhs[i] * dtSfy_rhs[i]
+                        + gupxz[i] * dtSfx_rhs[i] * dtSfz_rhs[i]
+                        + gupyz[i] * dtSfy_rhs[i] * dtSfz_rhs[i] );
+
+            #if (GAUGE == 4)
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - sqrt(chin1[i])), 2.0 );
+            #else
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - chin1[i]), 2.0 );
+            #endif
+
+            betax_rhs[i] = FF * Gamx[i] - reta[i] * betax[i];
+            betay_rhs[i] = FF * Gamy[i] - reta[i] * betay[i];
+            betaz_rhs[i] = FF * Gamz[i] - reta[i] * betaz[i];
+
+            dtSfx_rhs[i] = ZEO;
+            dtSfy_rhs[i] = ZEO;
+            dtSfz_rhs[i] = ZEO;
+            #elif (GAUGE == 6 || GAUGE == 7)
+            betax_rhs[i] = FF * dtSfx[i];
+            betay_rhs[i] = FF * dtSfy[i];
+            betaz_rhs[i] = FF * dtSfz[i];
+
+            dtSfx_rhs[i] = Gamx_rhs[i] - reta[i] * dtSfx[i];
+            dtSfy_rhs[i] = Gamy_rhs[i] - reta[i] * dtSfy[i];
+            dtSfz_rhs[i] = Gamz_rhs[i] - reta[i] * dtSfz[i];
+            #endif
         }
         // 26ms //
         lopsided(ex,X,Y,Z,gxx,gxx_rhs,betax,betay,betaz,Symmetry,SSS);

AMSS_NCKU_source/cgh.C

@@ -130,7 +130,11 @@ void cgh::compose_cgh(int nprocs)
   for (int lev = 0; lev < levels; lev++)
   {
     checkPatchList(PatL[lev], false);
+#ifdef INTERP_LB_OPTIMIZE
+    Parallel::distribute_optimize(PatL[lev], nprocs, ingfs, fngfs, false);
+#else
     Parallel::distribute(PatL[lev], nprocs, ingfs, fngfs, false);
+#endif
 #if (RPB == 1)
     // we need distributed box of PatL[lev] and PatL[lev-1]
     if (lev > 0)

AMSS_NCKU_source/fdderivs_c.C

@@ -73,6 +73,10 @@ void fdderivs(const int ex[3],
 
     /* 输出清零：fxx,fyy,fzz,fxy,fxz,fyz = 0 */
     const size_t all = (size_t)ex1 * (size_t)ex2 * (size_t)ex3;
+    for (size_t p = 0; p < all; ++p) {
+        fxx[p] = ZEO; fyy[p] = ZEO; fzz[p] = ZEO;
+        fxy[p] = ZEO; fxz[p] = ZEO; fyz[p] = ZEO;
+    }
 
     /*
      * Fortran:

AMSS_NCKU_source/fderivs_c.C

@@ -74,6 +74,11 @@ void fderivs(const int ex[3],
 
     // fx = fy = fz = 0
     const size_t all = (size_t)ex1 * (size_t)ex2 * (size_t)ex3;
+    for (size_t p = 0; p < all; ++p) {
+        fx[p] = ZEO;
+        fy[p] = ZEO;
+        fz[p] = ZEO;
+    }
 
     /*
      * Fortran loops:

AMSS_NCKU_source/interp_lb_profile.C

@@ -0,0 +1,107 @@
+#include "interp_lb_profile.h"
+#include <cstdio>
+#include <cstring>
+#include <algorithm>
+
+namespace InterpLBProfile {
+
+bool write_profile(const char *filepath, int nprocs,
+                   const double *rank_times,
+                   const int *heavy_ranks, int num_heavy,
+                   double threshold_ratio)
+{
+    FILE *fp = fopen(filepath, "wb");
+    if (!fp) return false;
+
+    ProfileHeader hdr;
+    hdr.magic = MAGIC;
+    hdr.version = VERSION;
+    hdr.nprocs = nprocs;
+    hdr.num_heavy = num_heavy;
+    hdr.threshold_ratio = threshold_ratio;
+
+    fwrite(&hdr, sizeof(hdr), 1, fp);
+    fwrite(rank_times, sizeof(double), nprocs, fp);
+    fwrite(heavy_ranks, sizeof(int), num_heavy, fp);
+    fclose(fp);
+    return true;
+}
+
+bool read_profile(const char *filepath, int current_nprocs,
+                  int *heavy_ranks, int &num_heavy,
+                  double *rank_times, MPI_Comm comm)
+{
+    int myrank;
+    MPI_Comm_rank(comm, &myrank);
+
+    int valid = 0;
+    ProfileHeader hdr;
+    memset(&hdr, 0, sizeof(hdr));
+
+    if (myrank == 0) {
+        FILE *fp = fopen(filepath, "rb");
+        if (fp) {
+            if (fread(&hdr, sizeof(hdr), 1, fp) == 1 &&
+                hdr.magic == MAGIC && hdr.version == VERSION &&
+                hdr.nprocs == current_nprocs)
+            {
+                if (fread(rank_times, sizeof(double), current_nprocs, fp)
+                    == (size_t)current_nprocs &&
+                    fread(heavy_ranks, sizeof(int), hdr.num_heavy, fp)
+                    == (size_t)hdr.num_heavy)
+                {
+                    num_heavy = hdr.num_heavy;
+                    valid = 1;
+                }
+            } else if (fp) {
+                printf("[InterpLB] Profile rejected: magic=0x%X version=%u "
+                       "nprocs=%d (current=%d)\n",
+                       hdr.magic, hdr.version, hdr.nprocs, current_nprocs);
+            }
+            fclose(fp);
+        }
+    }
+
+    MPI_Bcast(&valid, 1, MPI_INT, 0, comm);
+    if (!valid) return false;
+
+    MPI_Bcast(&num_heavy, 1, MPI_INT, 0, comm);
+    MPI_Bcast(heavy_ranks, num_heavy, MPI_INT, 0, comm);
+    MPI_Bcast(rank_times, current_nprocs, MPI_DOUBLE, 0, comm);
+    return true;
+}
+
+int identify_heavy_ranks(const double *rank_times, int nprocs,
+                         double threshold_ratio,
+                         int *heavy_ranks, int max_heavy)
+{
+    double sum = 0;
+    for (int i = 0; i < nprocs; i++) sum += rank_times[i];
+    double mean = sum / nprocs;
+    double threshold = threshold_ratio * mean;
+
+    // Collect candidates
+    struct RankTime { int rank; double time; };
+    RankTime *candidates = new RankTime[nprocs];
+    int ncand = 0;
+
+    for (int i = 0; i < nprocs; i++) {
+        if (rank_times[i] > threshold)
+            candidates[ncand++] = {i, rank_times[i]};
+    }
+
+    // Sort descending by time
+    std::sort(candidates, candidates + ncand,
+              [](const RankTime &a, const RankTime &b) {
+                  return a.time > b.time;
+              });
+
+    int count = (ncand < max_heavy) ? ncand : max_heavy;
+    for (int i = 0; i < count; i++)
+        heavy_ranks[i] = candidates[i].rank;
+
+    delete[] candidates;
+    return count;
+}
+
+} // namespace InterpLBProfile

AMSS_NCKU_source/interp_lb_profile.h

@@ -0,0 +1,38 @@
+#ifndef INTERP_LB_PROFILE_H
+#define INTERP_LB_PROFILE_H
+
+#include <mpi.h>
+
+namespace InterpLBProfile {
+
+static const unsigned int MAGIC   = 0x494C4250; // "ILBP"
+static const unsigned int VERSION = 1;
+
+struct ProfileHeader {
+    unsigned int magic;
+    unsigned int version;
+    int nprocs;
+    int num_heavy;
+    double threshold_ratio;
+};
+
+// Write profile file (rank 0 only)
+bool write_profile(const char *filepath, int nprocs,
+                   const double *rank_times,
+                   const int *heavy_ranks, int num_heavy,
+                   double threshold_ratio);
+
+// Read profile file (rank 0 reads, then broadcasts to all)
+// Returns true if file found and valid for current nprocs
+bool read_profile(const char *filepath, int current_nprocs,
+                  int *heavy_ranks, int &num_heavy,
+                  double *rank_times, MPI_Comm comm);
+
+// Identify heavy ranks: those with time > threshold_ratio * mean
+int identify_heavy_ranks(const double *rank_times, int nprocs,
+                         double threshold_ratio,
+                         int *heavy_ranks, int max_heavy);
+
+} // namespace InterpLBProfile
+
+#endif /* INTERP_LB_PROFILE_H */

AMSS_NCKU_source/interp_lb_profile_data.h

@@ -0,0 +1,27 @@
+/* Auto-generated from interp_lb_profile.bin — do not edit */
+#ifndef INTERP_LB_PROFILE_DATA_H
+#define INTERP_LB_PROFILE_DATA_H
+
+#define INTERP_LB_NPROCS 64
+#define INTERP_LB_NUM_HEAVY 4
+
+static const int interp_lb_heavy_blocks[4] = {27, 35, 28, 36};
+
+/* Split table: {block_id, r_left, r_right} */
+static const int interp_lb_splits[4][3] = {
+    {27, 26, 27},
+    {35, 34, 35},
+    {28, 28, 29},
+    {36, 36, 37},
+};
+
+/* Rank remap for displaced neighbor blocks */
+static const int interp_lb_num_remaps = 4;
+static const int interp_lb_remaps[][2] = {
+    {26, 25},
+    {29, 30},
+    {34, 33},
+    {37, 38},
+};
+
+#endif /* INTERP_LB_PROFILE_DATA_H */

AMSS_NCKU_source/makefile

@@ -10,14 +10,14 @@ PROFDATA = /home/$(shell whoami)/AMSS-NCKU/pgo_profile/default.profdata
 ifeq ($(PGO_MODE),instrument)
 ## Phase 1: instrumentation — omit -ipo/-fp-model fast=2 for faster build and numerical stability
 CXXAPPFLAGS = -O3 -xHost -fma -fprofile-instr-generate -ipo \
-              -Dfortran3 -Dnewc -I${MKLROOT}/include
+              -Dfortran3 -Dnewc -I${MKLROOT}/include $(INTERP_LB_FLAGS)
 f90appflags = -O3 -xHost -fma -fprofile-instr-generate -ipo \
               -align array64byte -fpp -I${MKLROOT}/include
 else
 ## opt (default): maximum performance with PGO profile data
 CXXAPPFLAGS = -O3 -xHost -fp-model fast=2 -fma -ipo \
               -fprofile-instr-use=$(PROFDATA) \
-              -Dfortran3 -Dnewc -I${MKLROOT}/include
+              -Dfortran3 -Dnewc -I${MKLROOT}/include $(INTERP_LB_FLAGS)
 f90appflags = -O3 -xHost -fp-model fast=2 -fma -ipo \
               -fprofile-instr-use=$(PROFDATA) \
               -align array64byte -fpp -I${MKLROOT}/include
@@ -53,8 +53,14 @@ kodiss_c.o: kodiss_c.C
 lopsided_c.o: lopsided_c.C
 	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
 
-## TwoPunctureABE uses fixed optimal flags, independent of CXXAPPFLAGS (which may be PGO-instrumented)
+interp_lb_profile.o: interp_lb_profile.C interp_lb_profile.h
-TP_OPTFLAGS = -O3 -xHost -fp-model fast=2 -fma -ipo -Dfortran3 -Dnewc -I${MKLROOT}/include
+	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
+
+## TwoPunctureABE uses fixed optimal flags with its own PGO profile, independent of CXXAPPFLAGS
+TP_PROFDATA = /home/$(shell whoami)/AMSS-NCKU/pgo_profile/TwoPunctureABE.profdata
+TP_OPTFLAGS = -O3 -xHost -fp-model fast=2 -fma -ipo \
+              -fprofile-instr-use=$(TP_PROFDATA) \
+              -Dfortran3 -Dnewc -I${MKLROOT}/include
 
 TwoPunctures.o: TwoPunctures.C
 	${CXX} $(TP_OPTFLAGS) -qopenmp -c $< -o $@
@@ -64,15 +70,21 @@ TwoPunctureABE.o: TwoPunctureABE.C
 
 # Input files
 
-# C rewrite files
+## Kernel implementation switch (set USE_CXX_KERNELS=0 to fall back to Fortran)
+ifeq ($(USE_CXX_KERNELS),0)
+# Fortran mode: no C rewrite files; bssn_rhs.o is included via F90FILES below
+CFILES =
+else
+# C++ mode (default): C rewrite of bssn_rhs and helper kernels
 CFILES = bssn_rhs_c.o fderivs_c.o fdderivs_c.o kodiss_c.o lopsided_c.o
+endif
 
 C++FILES = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
            cgh.o bssn_class.o surface_integral.o ShellPatch.o\
 	   bssnEScalar_class.o perf.o Z4c_class.o NullShellPatch.o\
 	   bssnEM_class.o cpbc_util.o z4c_rhs_point.o checkpoint.o\
            Parallel_bam.o scalar_class.o transpbh.o NullShellPatch2.o\
-	   NullShellPatch2_Evo.o writefile_f.o
+	   NullShellPatch2_Evo.o writefile_f.o interp_lb_profile.o
 	   
 C++FILES_GPU = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
            cgh.o surface_integral.o ShellPatch.o\
@@ -82,7 +94,7 @@ C++FILES_GPU = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o
 	   NullShellPatch2_Evo.o \
 	   bssn_gpu_class.o bssn_step_gpu.o bssn_macro.o writefile_f.o
 
-F90FILES = enforce_algebra.o fmisc.o initial_puncture.o prolongrestrict.o\
+F90FILES_BASE = enforce_algebra.o fmisc.o initial_puncture.o prolongrestrict.o\
 	   prolongrestrict_cell.o prolongrestrict_vertex.o\
 	   rungekutta4_rout.o diff_new.o kodiss.o kodiss_sh.o\
 	   lopsidediff.o sommerfeld_rout.o getnp4.o diff_new_sh.o\
@@ -95,6 +107,14 @@ F90FILES = enforce_algebra.o fmisc.o initial_puncture.o prolongrestrict.o\
 	   scalar_rhs.o initial_scalar.o NullEvol2.o initial_null2.o\
 	   NullNews2.o tool_f.o
 
+ifeq ($(USE_CXX_KERNELS),0)
+# Fortran mode: include original bssn_rhs.o
+F90FILES = $(F90FILES_BASE) bssn_rhs.o
+else
+# C++ mode (default): bssn_rhs.o replaced by C++ kernel
+F90FILES = $(F90FILES_BASE)
+endif
+
 F77FILES = zbesh.o
 
 AHFDOBJS = expansion.o expansion_Jacobian.o patch.o coords.o patch_info.o patch_interp.o patch_system.o \

AMSS_NCKU_source/makefile.inc

@@ -14,6 +14,25 @@ LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore
 ##   opt        : (default) maximum performance with PGO profile-guided optimization
 ##   instrument : PGO Phase 1 instrumentation to collect fresh profile data
 PGO_MODE ?= opt
+
+## Interp_Points load balance profiling mode
+##   off        : (default) no load balance instrumentation
+##   profile    : Pass 1 — instrument Interp_Points to collect timing profile
+##   optimize   : Pass 2 — read profile and apply block rebalancing
+INTERP_LB_MODE ?= off
+
+ifeq ($(INTERP_LB_MODE),profile)
+INTERP_LB_FLAGS = -DINTERP_LB_PROFILE
+else ifeq ($(INTERP_LB_MODE),optimize)
+INTERP_LB_FLAGS = -DINTERP_LB_OPTIMIZE
+else
+INTERP_LB_FLAGS =
+endif
+
+## Kernel implementation switch
+##   1 (default) : use C++ rewrite of bssn_rhs and helper kernels (faster)
+##   0           : fall back to original Fortran kernels
+USE_CXX_KERNELS ?= 1
 f90          = ifx
 f77          = ifx
 CXX          = icpx

generate_interp_lb_header.py

@@ -0,0 +1,72 @@
+#!/usr/bin/env python3
+"""Convert interp_lb_profile.bin to a C header for compile-time embedding."""
+import struct, sys
+
+if len(sys.argv) < 3:
+    print(f"Usage: {sys.argv[0]} <profile.bin> <output.h>")
+    sys.exit(1)
+
+with open(sys.argv[1], 'rb') as f:
+    magic, version, nprocs, num_heavy = struct.unpack('IIii', f.read(16))
+    threshold = struct.unpack('d', f.read(8))[0]
+    times = list(struct.unpack(f'{nprocs}d', f.read(nprocs * 8)))
+    heavy = list(struct.unpack(f'{num_heavy}i', f.read(num_heavy * 4)))
+
+# For each heavy rank, compute split: left half -> lighter neighbor, right half -> heavy rank
+# (or vice versa depending on which neighbor is lighter)
+splits = []
+for hr in heavy:
+    prev_t = times[hr - 1] if hr > 0 else 1e30
+    next_t = times[hr + 1] if hr < nprocs - 1 else 1e30
+    if prev_t <= next_t:
+        splits.append((hr, hr - 1, hr))  # (block_id, r_left, r_right)
+    else:
+        splits.append((hr, hr, hr + 1))
+
+# Also remap the displaced neighbor blocks
+remaps = {}
+for hr, r_l, r_r in splits:
+    if r_l != hr:
+        # We took r_l's slot, so remap block r_l to its other neighbor
+        displaced = r_l
+        if displaced > 0 and displaced - 1 not in [s[0] for s in splits]:
+            remaps[displaced] = displaced - 1
+        elif displaced < nprocs - 1:
+            remaps[displaced] = displaced + 1
+    else:
+        displaced = r_r
+        if displaced < nprocs - 1 and displaced + 1 not in [s[0] for s in splits]:
+            remaps[displaced] = displaced + 1
+        elif displaced > 0:
+            remaps[displaced] = displaced - 1
+
+with open(sys.argv[2], 'w') as out:
+    out.write("/* Auto-generated from interp_lb_profile.bin — do not edit */\n")
+    out.write("#ifndef INTERP_LB_PROFILE_DATA_H\n")
+    out.write("#define INTERP_LB_PROFILE_DATA_H\n\n")
+    out.write(f"#define INTERP_LB_NPROCS {nprocs}\n")
+    out.write(f"#define INTERP_LB_NUM_HEAVY {num_heavy}\n\n")
+    out.write(f"static const int interp_lb_heavy_blocks[{num_heavy}] = {{")
+    out.write(", ".join(str(h) for h in heavy))
+    out.write("};\n\n")
+    out.write("/* Split table: {block_id, r_left, r_right} */\n")
+    out.write(f"static const int interp_lb_splits[{num_heavy}][3] = {{\n")
+    for bid, rl, rr in splits:
+        out.write(f"    {{{bid}, {rl}, {rr}}},\n")
+    out.write("};\n\n")
+    out.write("/* Rank remap for displaced neighbor blocks */\n")
+    out.write(f"static const int interp_lb_num_remaps = {len(remaps)};\n")
+    out.write(f"static const int interp_lb_remaps[][2] = {{\n")
+    for src, dst in sorted(remaps.items()):
+        out.write(f"    {{{src}, {dst}}},\n")
+    if not remaps:
+        out.write("    {-1, -1},\n")
+    out.write("};\n\n")
+    out.write("#endif /* INTERP_LB_PROFILE_DATA_H */\n")
+
+print(f"Generated {sys.argv[2]}:")
+print(f"  {num_heavy} heavy blocks to split: {heavy}")
+for bid, rl, rr in splits:
+    print(f"    block {bid}: split -> rank {rl} (left), rank {rr} (right)")
+for src, dst in sorted(remaps.items()):
+    print(f"    block {src}: remap -> rank {dst}")

makefile_and_run.py

@@ -69,7 +69,7 @@ def makefile_ABE():
 
     ## Build command with CPU binding to nohz_full cores
     if (input_data.GPU_Calculation == "no"):
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABE"
+        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} INTERP_LB_MODE=optimize ABE"
     elif (input_data.GPU_Calculation == "yes"):
         makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABEGPU"
     else: