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

@@ -8,6 +8,14 @@
 ##
 ##################################################################
 
+## Guard against re-execution by multiprocessing child processes.
+## Without this, using 'spawn' or 'forkserver' context would cause every
+## worker to re-run the entire script, spawning exponentially more
+## workers (fork bomb).
+if __name__ != '__main__':
+    import sys as _sys
+    _sys.exit(0)
+
 
 ##################################################################
 
@@ -262,6 +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
@@ -424,26 +438,31 @@ print(
 
 import plot_xiaoqu
 import plot_GW_strain_amplitude_xiaoqu
+from parallel_plot_helper import run_plot_tasks_parallel
+
+plot_tasks = []
 
 ## Plot black hole trajectory
-plot_xiaoqu.generate_puncture_orbit_plot(   binary_results_directory, figure_directory )
+plot_tasks.append( ( plot_xiaoqu.generate_puncture_orbit_plot,   (binary_results_directory, figure_directory) ) )
-plot_xiaoqu.generate_puncture_orbit_plot3D( binary_results_directory, figure_directory )
+plot_tasks.append( ( plot_xiaoqu.generate_puncture_orbit_plot3D, (binary_results_directory, figure_directory) ) )
 
 ## Plot black hole separation vs. time
-plot_xiaoqu.generate_puncture_distence_plot( binary_results_directory, figure_directory )
+plot_tasks.append( ( plot_xiaoqu.generate_puncture_distence_plot, (binary_results_directory, figure_directory) ) )
 
 ## Plot gravitational waveforms (psi4 and strain amplitude)
 for i in range(input_data.Detector_Number):
-    plot_xiaoqu.generate_gravitational_wave_psi4_plot( binary_results_directory, figure_directory, i )
+    plot_tasks.append( ( plot_xiaoqu.generate_gravitational_wave_psi4_plot, (binary_results_directory, figure_directory, i) ) )
-    plot_GW_strain_amplitude_xiaoqu.generate_gravitational_wave_amplitude_plot( binary_results_directory, figure_directory, i )
+    plot_tasks.append( ( plot_GW_strain_amplitude_xiaoqu.generate_gravitational_wave_amplitude_plot, (binary_results_directory, figure_directory, i) ) )
 
 ## Plot ADM mass evolution
 for i in range(input_data.Detector_Number):
-    plot_xiaoqu.generate_ADMmass_plot( binary_results_directory, figure_directory, i )
+    plot_tasks.append( ( plot_xiaoqu.generate_ADMmass_plot, (binary_results_directory, figure_directory, i) ) )
 
 ## Plot Hamiltonian constraint violation over time
 for i in range(input_data.grid_level):
-    plot_xiaoqu.generate_constraint_check_plot( binary_results_directory, figure_directory, i )
+    plot_tasks.append( ( plot_xiaoqu.generate_constraint_check_plot, (binary_results_directory, figure_directory, i) ) )
+
+run_plot_tasks_parallel(plot_tasks)
 
 ## Plot stored binary data
 plot_xiaoqu.generate_binary_data_plot( binary_results_directory, figure_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)
 {
@@ -341,8 +344,9 @@ void Patch::Interp_Points(MyList<var> *VarList,
                           double *Shellf, int Symmetry)
 {
   // NOTE: we do not Synchnize variables here, make sure of that before calling this routine
-  int myrank;
+  int myrank, nprocs;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
+  MPI_Comm_size(MPI_COMM_WORLD, &nprocs);
 
   int ordn = 2 * ghost_width;
   MyList<var> *varl;
@@ -354,24 +358,18 @@ void Patch::Interp_Points(MyList<var> *VarList,
     varl = varl->next;
   }
 
-  double *shellf;
+  memset(Shellf, 0, sizeof(double) * NN * num_var);
-  shellf = new double[NN * num_var];
-  memset(shellf, 0, sizeof(double) * NN * num_var);
 
-  // we use weight to monitor code, later some day we can move it for optimization
+  // owner_rank[j] records which MPI rank owns point j
-  int *weight;
+  // All ranks traverse the same block list so they all agree on ownership
-  weight = new int[NN];
+  int *owner_rank;
-  memset(weight, 0, sizeof(int) * NN);
+  owner_rank = new int[NN];
-
+  for (int j = 0; j < NN; j++)
-  double *DH, *llb, *uub;
+    owner_rank[j] = -1;
-  DH = new double[dim];
 
+  double DH[dim], llb[dim], uub[dim];
   for (int i = 0; i < dim; i++)
-  {
     DH[i] = getdX(i);
-  }
-  llb = new double[dim];
-  uub = new double[dim];
 
   for (int j = 0; j < NN; j++) // run along points
   {
@@ -403,12 +401,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
       bool flag = true;
       for (int i = 0; i < dim; i++)
       {
-// NOTE: our dividing structure is (exclude ghost)
-// -1 0
-//       1  2
-// so (0,1) does not belong to any part for vertex structure
-// here we put (0,0.5) to left part and (0.5,1) to right part
-// BUT for cell structure the bbox is (-1.5,0.5) and (0.5,2.5), there is no missing region at all
 #ifdef Vertex
 #ifdef Cell
 #error Both Cell and Vertex are defined
@@ -433,6 +425,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
       if (flag)
       {
         notfind = false;
+        owner_rank[j] = BP->rank;
         if (myrank == BP->rank)
         {
           //---> interpolation
@@ -440,14 +433,11 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-            //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
+            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
-            //	  		                                    pox,ordn,varl->data->SoA,Symmetry);
-            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[j * num_var + k],
                             pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
             varl = varl->next;
             k++;
           }
-          weight[j] = 1;
         }
       }
       if (Bp == ble)
@@ -456,103 +446,360 @@ void Patch::Interp_Points(MyList<var> *VarList,
     }
   }
 
-  MPI_Allreduce(shellf, Shellf, NN * num_var, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  // Replace MPI_Allreduce with per-owner MPI_Bcast:
-  int *Weight;
+  // Group consecutive points by owner rank and broadcast each group.
-  Weight = new int[NN];
+  // Since each point's data is non-zero only on the owner rank,
-  MPI_Allreduce(weight, Weight, NN, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+  // Bcast from owner is equivalent to Allreduce(MPI_SUM) but much cheaper.
-
-  //  misc::tillherecheck("print me");
-
-  for (int i = 0; i < NN; i++)
   {
-    if (Weight[i] > 1)
+    int j = 0;
+    while (j < NN)
     {
-      if (myrank == 0)
+      int cur_owner = owner_rank[j];
-        cout << "WARNING: Patch::Interp_Points meets multiple weight" << endl;
+      if (cur_owner < 0)
-      for (int j = 0; j < num_var; j++)
+      {
-        Shellf[j + i * num_var] = Shellf[j + i * num_var] / Weight[i];
+        if (myrank == 0)
+        {
+          cout << "ERROR: Patch::Interp_Points fails to find point (";
+          for (int d = 0; d < dim; d++)
+          {
+            cout << XX[d][j];
+            if (d < dim - 1)
+              cout << ",";
+            else
+              cout << ")";
+          }
+          cout << " on Patch (";
+          for (int d = 0; d < dim; d++)
+          {
+            cout << bbox[d] << "+" << lli[d] * DH[d];
+            if (d < dim - 1)
+              cout << ",";
+            else
+              cout << ")--";
+          }
+          cout << "(";
+          for (int d = 0; d < dim; d++)
+          {
+            cout << bbox[dim + d] << "-" << uui[d] * DH[d];
+            if (d < dim - 1)
+              cout << ",";
+            else
+              cout << ")" << endl;
+          }
+          MPI_Abort(MPI_COMM_WORLD, 1);
+        }
+        j++;
+        continue;
+      }
+      // Find contiguous run of points with the same owner
+      int jstart = j;
+      while (j < NN && owner_rank[j] == cur_owner)
+        j++;
+      int count = (j - jstart) * num_var;
+      MPI_Bcast(Shellf + jstart * num_var, count, MPI_DOUBLE, cur_owner, MPI_COMM_WORLD);
     }
-    else if (Weight[i] == 0 && myrank == 0)
+  }
+
+  delete[] owner_rank;
+}
+void Patch::Interp_Points(MyList<var> *VarList,
+                          int NN, double **XX,
+                          double *Shellf, int Symmetry,
+                          int Nmin_consumer, int Nmax_consumer)
+{
+  // 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);
+
+  int ordn = 2 * ghost_width;
+  MyList<var> *varl;
+  int num_var = 0;
+  varl = VarList;
+  while (varl)
+  {
+    num_var++;
+    varl = varl->next;
+  }
+
+  memset(Shellf, 0, sizeof(double) * NN * num_var);
+
+  // owner_rank[j] records which MPI rank owns point j
+  int *owner_rank;
+  owner_rank = new int[NN];
+  for (int j = 0; j < NN; j++)
+    owner_rank[j] = -1;
+
+  double DH[dim], llb[dim], uub[dim];
+  for (int i = 0; i < dim; i++)
+    DH[i] = getdX(i);
+
+  // --- Interpolation phase (identical to original) ---
+  for (int j = 0; j < NN; j++)
+  {
+    double pox[dim];
+    for (int i = 0; i < dim; i++)
+    {
+      pox[i] = XX[i][j];
+      if (myrank == 0 && (XX[i][j] < bbox[i] + lli[i] * DH[i] || XX[i][j] > bbox[dim + i] - uui[i] * DH[i]))
+      {
+        cout << "Patch::Interp_Points: point (";
+        for (int k = 0; k < dim; k++)
+        {
+          cout << XX[k][j];
+          if (k < dim - 1)
+            cout << ",";
+          else
+            cout << ") is out of current Patch." << endl;
+        }
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
+
+    MyList<Block> *Bp = blb;
+    bool notfind = true;
+    while (notfind && Bp)
+    {
+      Block *BP = Bp->data;
+
+      bool flag = true;
+      for (int i = 0; i < dim; i++)
+      {
+#ifdef Vertex
+#ifdef Cell
+#error Both Cell and Vertex are defined
+#endif
+        llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + (ghost_width - 0.5) * DH[i];
+        uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - (ghost_width - 0.5) * DH[i];
+#else
+#ifdef Cell
+        llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + ghost_width * DH[i];
+        uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - ghost_width * DH[i];
+#else
+#error Not define Vertex nor Cell
+#endif
+#endif
+        if (XX[i][j] - llb[i] < -DH[i] / 2 || XX[i][j] - uub[i] > DH[i] / 2)
+        {
+          flag = false;
+          break;
+        }
+      }
+
+      if (flag)
+      {
+        notfind = false;
+        owner_rank[j] = BP->rank;
+        if (myrank == BP->rank)
+        {
+          varl = VarList;
+          int k = 0;
+          while (varl)
+          {
+            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
+                            pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
+            varl = varl->next;
+            k++;
+          }
+        }
+      }
+      if (Bp == ble)
+        break;
+      Bp = Bp->next;
+    }
+  }
+
+#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++)
+  {
+    if (owner_rank[j] < 0 && myrank == 0)
     {
       cout << "ERROR: Patch::Interp_Points fails to find point (";
-      for (int j = 0; j < dim; j++)
+      for (int d = 0; d < dim; d++)
       {
-        cout << XX[j][i];
+        cout << XX[d][j];
-        if (j < dim - 1)
+        if (d < dim - 1)
           cout << ",";
         else
           cout << ")";
       }
       cout << " on Patch (";
-      for (int j = 0; j < dim; j++)
+      for (int d = 0; d < dim; d++)
       {
-        cout << bbox[j] << "+" << lli[j] * getdX(j);
+        cout << bbox[d] << "+" << lli[d] * DH[d];
-        if (j < dim - 1)
+        if (d < dim - 1)
           cout << ",";
         else
           cout << ")--";
       }
       cout << "(";
-      for (int j = 0; j < dim; j++)
+      for (int d = 0; d < dim; d++)
       {
-        cout << bbox[dim + j] << "-" << uui[j] * getdX(j);
+        cout << bbox[dim + d] << "-" << uui[d] * DH[d];
-        if (j < dim - 1)
+        if (d < dim - 1)
           cout << ",";
         else
           cout << ")" << endl;
       }
-#if 0
-       checkBlock();
-#else
-      cout << "splited domains:" << endl;
-      {
-        MyList<Block> *Bp = blb;
-        while (Bp)
-        {
-          Block *BP = Bp->data;
-
-          for (int i = 0; i < dim; i++)
-          {
-#ifdef Vertex
-#ifdef Cell
-#error Both Cell and Vertex are defined
-#endif
-            llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + (ghost_width - 0.5) * DH[i];
-            uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - (ghost_width - 0.5) * DH[i];
-#else
-#ifdef Cell
-            llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + ghost_width * DH[i];
-            uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - ghost_width * DH[i];
-#else
-#error Not define Vertex nor Cell
-#endif
-#endif
-          }
-          cout << "(";
-          for (int j = 0; j < dim; j++)
-          {
-            cout << llb[j] << ":" << uub[j];
-            if (j < dim - 1)
-              cout << ",";
-            else
-              cout << ")" << endl;
-          }
-          if (Bp == ble)
-            break;
-          Bp = Bp->next;
-        }
-      }
-#endif
       MPI_Abort(MPI_COMM_WORLD, 1);
     }
   }
 
-  delete[] shellf;
+  // --- Targeted point-to-point communication phase ---
-  delete[] weight;
+  // Compute consumer_rank[j] using the same deterministic formula as surface_integral
-  delete[] Weight;
+  int *consumer_rank = new int[NN];
-  delete[] DH;
+  {
-  delete[] llb;
+    int mp = NN / nprocs;
-  delete[] uub;
+    int Lp = NN - nprocs * mp;
+    for (int j = 0; j < NN; j++)
+    {
+      if (j < Lp * (mp + 1))
+        consumer_rank[j] = j / (mp + 1);
+      else
+        consumer_rank[j] = Lp + (j - Lp * (mp + 1)) / mp;
+    }
+  }
+
+  // Count sends and recvs per rank
+  int *send_count = new int[nprocs];
+  int *recv_count = new int[nprocs];
+  memset(send_count, 0, sizeof(int) * nprocs);
+  memset(recv_count, 0, sizeof(int) * nprocs);
+
+  for (int j = 0; j < NN; j++)
+  {
+    int own = owner_rank[j];
+    int con = consumer_rank[j];
+    if (own == con)
+      continue; // local — no communication needed
+    if (own == myrank)
+      send_count[con]++;
+    if (con == myrank)
+      recv_count[own]++;
+  }
+
+  // Build send buffers: for each destination rank, pack (index, data) pairs
+  // Each entry: 1 int (point index j) + num_var doubles
+  int total_send = 0, total_recv = 0;
+  int *send_offset = new int[nprocs];
+  int *recv_offset = new int[nprocs];
+  for (int r = 0; r < nprocs; r++)
+  {
+    send_offset[r] = total_send;
+    total_send += send_count[r];
+    recv_offset[r] = total_recv;
+    total_recv += recv_count[r];
+  }
+
+  // Pack send buffers: each message contains (j, data[0..num_var-1]) per point
+  int stride = 1 + num_var; // 1 double for index + num_var doubles for data
+  double *sendbuf = new double[total_send * stride];
+  double *recvbuf = new double[total_recv * stride];
+
+  // Temporary counters for packing
+  int *pack_pos = new int[nprocs];
+  memset(pack_pos, 0, sizeof(int) * nprocs);
+
+  for (int j = 0; j < NN; j++)
+  {
+    int own = owner_rank[j];
+    int con = consumer_rank[j];
+    if (own != myrank || con == myrank)
+      continue;
+    int pos = (send_offset[con] + pack_pos[con]) * stride;
+    sendbuf[pos] = (double)j; // point index
+    for (int v = 0; v < num_var; v++)
+      sendbuf[pos + 1 + v] = Shellf[j * num_var + v];
+    pack_pos[con]++;
+  }
+
+  // Post non-blocking recvs and sends
+  int n_req = 0;
+  for (int r = 0; r < nprocs; r++)
+  {
+    if (recv_count[r] > 0) n_req++;
+    if (send_count[r] > 0) n_req++;
+  }
+
+  MPI_Request *reqs = new MPI_Request[n_req];
+  int req_idx = 0;
+
+  for (int r = 0; r < nprocs; r++)
+  {
+    if (recv_count[r] > 0)
+    {
+      MPI_Irecv(recvbuf + recv_offset[r] * stride,
+                recv_count[r] * stride, MPI_DOUBLE,
+                r, 0, MPI_COMM_WORLD, &reqs[req_idx++]);
+    }
+  }
+  for (int r = 0; r < nprocs; r++)
+  {
+    if (send_count[r] > 0)
+    {
+      MPI_Isend(sendbuf + send_offset[r] * stride,
+                send_count[r] * stride, MPI_DOUBLE,
+                r, 0, MPI_COMM_WORLD, &reqs[req_idx++]);
+    }
+  }
+
+  if (n_req > 0)
+    MPI_Waitall(n_req, reqs, MPI_STATUSES_IGNORE);
+
+  // Unpack recv buffers into Shellf
+  for (int i = 0; i < total_recv; i++)
+  {
+    int pos = i * stride;
+    int j = (int)recvbuf[pos];
+    for (int v = 0; v < num_var; v++)
+      Shellf[j * num_var + v] = recvbuf[pos + 1 + v];
+  }
+
+  delete[] reqs;
+  delete[] sendbuf;
+  delete[] recvbuf;
+  delete[] pack_pos;
+  delete[] send_offset;
+  delete[] recv_offset;
+  delete[] send_count;
+  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,
@@ -573,24 +820,22 @@ void Patch::Interp_Points(MyList<var> *VarList,
     varl = varl->next;
   }
 
-  double *shellf;
+  memset(Shellf, 0, sizeof(double) * NN * num_var);
-  shellf = new double[NN * num_var];
-  memset(shellf, 0, sizeof(double) * NN * num_var);
 
-  // we use weight to monitor code, later some day we can move it for optimization
+  // owner_rank[j] stores the global rank that owns point j
-  int *weight;
+  int *owner_rank;
-  weight = new int[NN];
+  owner_rank = new int[NN];
-  memset(weight, 0, sizeof(int) * NN);
+  for (int j = 0; j < NN; j++)
+    owner_rank[j] = -1;
 
-  double *DH, *llb, *uub;
+  // Build global-to-local rank translation for Comm_here
-  DH = new double[dim];
+  MPI_Group world_group, local_group;
+  MPI_Comm_group(MPI_COMM_WORLD, &world_group);
+  MPI_Comm_group(Comm_here, &local_group);
 
+  double DH[dim], llb[dim], uub[dim];
   for (int i = 0; i < dim; i++)
-  {
     DH[i] = getdX(i);
-  }
-  llb = new double[dim];
-  uub = new double[dim];
 
   for (int j = 0; j < NN; j++) // run along points
   {
@@ -622,12 +867,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
       bool flag = true;
       for (int i = 0; i < dim; i++)
       {
-// NOTE: our dividing structure is (exclude ghost)
-// -1 0
-//       1  2
-// so (0,1) does not belong to any part for vertex structure
-// here we put (0,0.5) to left part and (0.5,1) to right part
-// BUT for cell structure the bbox is (-1.5,0.5) and (0.5,2.5), there is no missing region at all
 #ifdef Vertex
 #ifdef Cell
 #error Both Cell and Vertex are defined
@@ -652,6 +891,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
       if (flag)
       {
         notfind = false;
+        owner_rank[j] = BP->rank;
         if (myrank == BP->rank)
         {
           //---> interpolation
@@ -659,14 +899,11 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-            //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
+            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
-            //	  		                                    pox,ordn,varl->data->SoA,Symmetry);
-            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[j * num_var + k],
                             pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
             varl = varl->next;
             k++;
           }
-          weight[j] = 1;
         }
       }
       if (Bp == ble)
@@ -675,97 +912,35 @@ void Patch::Interp_Points(MyList<var> *VarList,
     }
   }
 
-  MPI_Allreduce(shellf, Shellf, NN * num_var, MPI_DOUBLE, MPI_SUM, Comm_here);
+  // Collect unique global owner ranks and translate to local ranks in Comm_here
-  int *Weight;
+  // Then broadcast each owner's points via MPI_Bcast on Comm_here
-  Weight = new int[NN];
-  MPI_Allreduce(weight, Weight, NN, MPI_INT, MPI_SUM, Comm_here);
-
-  //  misc::tillherecheck("print me");
-  //  if(lmyrank == 0) cout<<"myrank = "<<myrank<<"print me"<<endl;
-
-  for (int i = 0; i < NN; i++)
   {
-    if (Weight[i] > 1)
+    int j = 0;
+    while (j < NN)
     {
-      if (lmyrank == 0)
+      int cur_owner_global = owner_rank[j];
-        cout << "WARNING: Patch::Interp_Points meets multiple weight" << endl;
+      if (cur_owner_global < 0)
-      for (int j = 0; j < num_var; j++)
+      {
-        Shellf[j + i * num_var] = Shellf[j + i * num_var] / Weight[i];
+        // Point not found — skip (error check disabled for sub-communicator levels)
+        j++;
+        continue;
+      }
+      // Translate global rank to local rank in Comm_here
+      int cur_owner_local;
+      MPI_Group_translate_ranks(world_group, 1, &cur_owner_global, local_group, &cur_owner_local);
+
+      // Find contiguous run of points with the same owner
+      int jstart = j;
+      while (j < NN && owner_rank[j] == cur_owner_global)
+        j++;
+      int count = (j - jstart) * num_var;
+      MPI_Bcast(Shellf + jstart * num_var, count, MPI_DOUBLE, cur_owner_local, Comm_here);
     }
-#if 0 // for not involved levels, this may fail     
-     else if(Weight[i] == 0 && lmyrank == 0)
-     {
-       cout<<"ERROR: Patch::Interp_Points fails to find point (";
-       for(int j=0;j<dim;j++)
-       {
-	  cout<<XX[j][i];
-	  if(j<dim-1) cout<<",";
-	  else        cout<<")";
-       }
-       cout<<" on Patch (";
-       for(int j=0;j<dim;j++)
-       {
-	  cout<<bbox[j]<<"+"<<lli[j]*getdX(j);
-	  if(j<dim-1) cout<<",";
-	  else        cout<<")--";
-       }
-       cout<<"(";
-       for(int j=0;j<dim;j++)
-       {
-	  cout<<bbox[dim+j]<<"-"<<uui[j]*getdX(j);
-	  if(j<dim-1) cout<<",";
-	  else        cout<<")"<<endl;
-       }
-#if 0
-       checkBlock();
-#else
-  cout<<"splited domains:"<<endl;
-  {
-     MyList<Block> *Bp=blb;
-     while(Bp)
-     {
-	Block *BP=Bp->data;
-
-	for(int i=0;i<dim;i++)
-	{
-#ifdef Vertex
-#ifdef Cell
-#error Both Cell and Vertex are defined
-#endif    
-          llb[i] = (feq(BP->bbox[i]    ,bbox[i]    ,DH[i]/2)) ? BP->bbox[i]+lli[i]*DH[i]     : BP->bbox[i]    +(ghost_width-0.5)*DH[i];
-          uub[i] = (feq(BP->bbox[dim+i],bbox[dim+i],DH[i]/2)) ? BP->bbox[dim+i]-uui[i]*DH[i] : BP->bbox[dim+i]-(ghost_width-0.5)*DH[i];
-#else
-#ifdef Cell
-          llb[i] = (feq(BP->bbox[i]    ,bbox[i]    ,DH[i]/2)) ? BP->bbox[i]+lli[i]*DH[i]     : BP->bbox[i]    +ghost_width*DH[i];
-          uub[i] = (feq(BP->bbox[dim+i],bbox[dim+i],DH[i]/2)) ? BP->bbox[dim+i]-uui[i]*DH[i] : BP->bbox[dim+i]-ghost_width*DH[i];
-#else
-#error Not define Vertex nor Cell
-#endif
-#endif 
-	}       
-       cout<<"(";
-       for(int j=0;j<dim;j++)
-       {
-	  cout<<llb[j]<<":"<<uub[j];
-	  if(j<dim-1) cout<<",";
-	  else        cout<<")"<<endl;
-       }
-	if(Bp == ble) break;
-	Bp=Bp->next;
-     }
-  }
-#endif       
-       MPI_Abort(MPI_COMM_WORLD,1);
-     }
-#endif
   }
 
-  delete[] shellf;
+  MPI_Group_free(&world_group);
-  delete[] weight;
+  MPI_Group_free(&local_group);
-  delete[] Weight;
+  delete[] owner_rank;
-  delete[] DH;
-  delete[] llb;
-  delete[] uub;
 }
 void Patch::checkBlock()
 {

AMSS_NCKU_source/MPatch.h

@@ -39,6 +39,10 @@ public:
 
    bool Find_Point(double *XX);
 
+   void Interp_Points(MyList<var> *VarList,
+                      int NN, double **XX,
+                      double *Shellf, int Symmetry,
+                      int Nmin_consumer, int Nmax_consumer);
    void Interp_Points(MyList<var> *VarList,
                       int NN, double **XX,
                       double *Shellf, int Symmetry, MPI_Comm Comm_here);

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));
@@ -81,6 +91,43 @@ namespace Parallel
                    int Symmetry);
   void Sync(Patch *Pat, MyList<var> *VarList, int Symmetry);
   void Sync(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry);
+  void Sync_merged(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry);
+
+  struct SyncCache {
+    bool valid;
+    int cpusize;
+    MyList<gridseg> **combined_src;
+    MyList<gridseg> **combined_dst;
+    int *send_lengths;
+    int *recv_lengths;
+    double **send_bufs;
+    double **recv_bufs;
+    int *send_buf_caps;
+    int *recv_buf_caps;
+    MPI_Request *reqs;
+    MPI_Status *stats;
+    int max_reqs;
+    bool lengths_valid;
+    SyncCache();
+    void invalidate();
+    void destroy();
+  };
+
+  void Sync_cached(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry, SyncCache &cache);
+  void transfer_cached(MyList<gridseg> **src, MyList<gridseg> **dst,
+                       MyList<var> *VarList1, MyList<var> *VarList2,
+                       int Symmetry, SyncCache &cache);
+
+  struct AsyncSyncState {
+    int req_no;
+    bool active;
+    AsyncSyncState() : req_no(0), active(false) {}
+  };
+
+  void Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry,
+                  SyncCache &cache, AsyncSyncState &state);
+  void Sync_finish(SyncCache &cache, AsyncSyncState &state,
+                   MyList<var> *VarList, int Symmetry);
   void OutBdLow2Hi(Patch *Patc, Patch *Patf,
                    MyList<var> *VarList1 /* source */, MyList<var> *VarList2 /* target */,
                    int Symmetry);
@@ -93,6 +140,15 @@ namespace Parallel
   void OutBdLow2Himix(MyList<Patch> *PatcL, MyList<Patch> *PatfL,
                       MyList<var> *VarList1 /* source */, MyList<var> *VarList2 /* target */,
                       int Symmetry);
+  void Restrict_cached(MyList<Patch> *PatcL, MyList<Patch> *PatfL,
+                       MyList<var> *VarList1, MyList<var> *VarList2,
+                       int Symmetry, SyncCache &cache);
+  void OutBdLow2Hi_cached(MyList<Patch> *PatcL, MyList<Patch> *PatfL,
+                          MyList<var> *VarList1, MyList<var> *VarList2,
+                          int Symmetry, SyncCache &cache);
+  void OutBdLow2Himix_cached(MyList<Patch> *PatcL, MyList<Patch> *PatfL,
+                             MyList<var> *VarList1, MyList<var> *VarList2,
+                             int Symmetry, SyncCache &cache);
   void Prolong(Patch *Patc, Patch *Patf,
                MyList<var> *VarList1 /* source */, MyList<var> *VarList2 /* target */,
                int Symmetry);

AMSS_NCKU_source/TwoPunctures.h

@@ -1,7 +1,8 @@
-
 #ifndef TWO_PUNCTURES_H
 #define TWO_PUNCTURES_H
 
+#include <omp.h>
+
 #define StencilSize 19
 #define N_PlaneRelax 1
 #define NRELAX 200
@@ -32,7 +33,7 @@ private:
        int npoints_A, npoints_B, npoints_phi;
 
        double target_M_plus, target_M_minus;
-       
+
        double admMass;
 
        double adm_tol;
@@ -42,32 +43,17 @@ private:
 
        int ntotal;
 
-       // Pre-allocated workspace buffers for hot-path allocation elimination
+       // ===== Precomputed spectral derivative matrices =====
-       // LineRelax_be workspace (sized for n2)
+       double *D1_A, *D2_A;
-       double *ws_diag_be, *ws_e_be, *ws_f_be, *ws_b_be, *ws_x_be;
+       double *D1_B, *D2_B;
-       // LineRelax_al workspace (sized for n1)
+       double *DF1_phi, *DF2_phi;
-       double *ws_diag_al, *ws_e_al, *ws_f_al, *ws_b_al, *ws_x_al;
+
-       // ThomasAlgorithm workspace (sized for max(n1,n2))
+       // ===== Pre-allocated workspace for LineRelax (per-thread) =====
-       double *ws_thomas_y;
+       int max_threads;
-       // JFD_times_dv workspace (sized for nvar)
+       double **ws_diag_be, **ws_e_be, **ws_f_be, **ws_b_be, **ws_x_be;
-       double *ws_jfd_values;
+       double **ws_l_be, **ws_u_be, **ws_d_be, **ws_y_be;
-       derivs ws_jfd_dU, ws_jfd_U;
+       double **ws_diag_al, **ws_e_al, **ws_f_al, **ws_b_al, **ws_x_al;
-       // chebft_Zeros workspace (sized for max(n1,n2,n3)+1)
+       double **ws_l_al, **ws_u_al, **ws_d_al, **ws_y_al;
-       double *ws_cheb_c;
-       // fourft workspace (sized for max(n1,n2,n3)/2+1 each)
-       double *ws_four_a, *ws_four_b;
-       // Derivatives_AB3 workspace
-       double *ws_deriv_p, *ws_deriv_dp, *ws_deriv_d2p;
-       double *ws_deriv_q, *ws_deriv_dq;
-       double *ws_deriv_r, *ws_deriv_dr;
-       int *ws_deriv_indx;
-       // F_of_v workspace
-       double *ws_fov_sources;
-       double *ws_fov_values;
-       derivs ws_fov_U;
-       // J_times_dv workspace
-       double *ws_jtdv_values;
-       derivs ws_jtdv_dU, ws_jtdv_U;
 
        struct parameters
        {
@@ -85,6 +71,28 @@ public:
                     int Newtonmaxit);
        ~TwoPunctures();
 
+       // 02/07: New/modified methods
+       void allocate_workspace();
+       void free_workspace();
+       void precompute_derivative_matrices();
+       void build_cheb_deriv_matrices(int n, double *D1, double *D2);
+       void build_fourier_deriv_matrices(int N, double *DF1, double *DF2);
+       void Derivatives_AB3_MatMul(int nvar, int n1, int n2, int n3, derivs v);
+       void ThomasAlgorithm_ws(int N, double *b, double *a, double *c, double *x, double *q,
+                                double *l, double *u_ws, double *d, double *y);
+       void LineRelax_be_omp(double *dv,
+                         int const i, int const k, int const nvar,
+                         int const n1, int const n2, int const n3,
+                         double const *rhs, int const *ncols, int **cols,
+                         double **JFD, int tid);
+       void LineRelax_al_omp(double *dv,
+                         int const j, int const k, int const nvar,
+                         int const n1, int const n2, int const n3,
+                         double const *rhs, int const *ncols,
+                         int **cols, double **JFD, int tid);
+       void relax_omp(double *dv, int const nvar, int const n1, int const n2, int const n3,
+                  double const *rhs, int const *ncols, int **cols, double **JFD);
+
        void Solve();
        void set_initial_guess(derivs v);
        int index(int i, int j, int k, int l, int a, int b, int c, int d);
@@ -143,23 +151,11 @@ public:
        double BY_KKofxyz(double x, double y, double z);
        void SetMatrix_JFD(int nvar, int n1, int n2, int n3, derivs u, int *ncols, int **cols, double **Matrix);
        void J_times_dv(int nvar, int n1, int n2, int n3, derivs dv, double *Jdv, derivs u);
-       void relax(double *dv, int const nvar, int const n1, int const n2, int const n3,
-                  double const *rhs, int const *ncols, int **cols, double **JFD);
-       void LineRelax_be(double *dv,
-                         int const i, int const k, int const nvar,
-                         int const n1, int const n2, int const n3,
-                         double const *rhs, int const *ncols, int **cols,
-                         double **JFD);
        void JFD_times_dv(int i, int j, int k, int nvar, int n1, int n2,
                          int n3, derivs dv, derivs u, double *values);
        void LinEquations(double A, double B, double X, double R,
                          double x, double r, double phi,
                          double y, double z, derivs dU, derivs U, double *values);
-       void LineRelax_al(double *dv,
-                         int const j, int const k, int const nvar,
-                         int const n1, int const n2, int const n3,
-                         double const *rhs, int const *ncols,
-                         int **cols, double **JFD);
        void ThomasAlgorithm(int N, double *b, double *a, double *c, double *x, double *q);
        void Save(char *fname);
        // provided by Vasileios Paschalidis (vpaschal@illinois.edu)
@@ -168,4 +164,4 @@ public:
        void SpecCoef(parameters par, int ivar, double *v, double *cf);
 };
 
-#endif /* TWO_PUNCTURES_H */
+#endif /* TWO_PUNCTURES_H */

AMSS_NCKU_source/bssn_class.C

@@ -730,6 +730,12 @@ void bssn_class::Initialize()
     PhysTime = StartTime;
     Setup_Black_Hole_position();
   }
+
+  // Initialize sync caches (per-level, for predictor and corrector)
+  sync_cache_pre = new Parallel::SyncCache[GH->levels];
+  sync_cache_cor = new Parallel::SyncCache[GH->levels];
+  sync_cache_rp_coarse = new Parallel::SyncCache[GH->levels];
+  sync_cache_rp_fine = new Parallel::SyncCache[GH->levels];
 }
 
 //================================================================================================
@@ -981,6 +987,32 @@ bssn_class::~bssn_class()
   delete Azzz;
 #endif
 
+  // Destroy sync caches before GH
+  if (sync_cache_pre)
+  {
+    for (int i = 0; i < GH->levels; i++)
+      sync_cache_pre[i].destroy();
+    delete[] sync_cache_pre;
+  }
+  if (sync_cache_cor)
+  {
+    for (int i = 0; i < GH->levels; i++)
+      sync_cache_cor[i].destroy();
+    delete[] sync_cache_cor;
+  }
+  if (sync_cache_rp_coarse)
+  {
+    for (int i = 0; i < GH->levels; i++)
+      sync_cache_rp_coarse[i].destroy();
+    delete[] sync_cache_rp_coarse;
+  }
+  if (sync_cache_rp_fine)
+  {
+    for (int i = 0; i < GH->levels; i++)
+      sync_cache_rp_fine[i].destroy();
+    delete[] sync_cache_rp_fine;
+  }
+
   delete GH;
 #ifdef WithShell
   delete SH;
@@ -2181,6 +2213,7 @@ void bssn_class::Evolve(int Steps)
     GH->Regrid(Symmetry, BH_num, Porgbr, Porg0,
                SynchList_cor, OldStateList, StateList, SynchList_pre,
                fgt(PhysTime - dT_mon, StartTime, dT_mon / 2), ErrorMonitor);
+    for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 #endif
 
 #if (REGLEV == 0 && (PSTR == 1 || PSTR == 2))
@@ -2393,9 +2426,10 @@ void bssn_class::RecursiveStep(int lev)
 #endif
 
 #if (REGLEV == 0)
-  GH->Regrid_Onelevel(lev, Symmetry, BH_num, Porgbr, Porg0,
+  if (GH->Regrid_Onelevel(lev, Symmetry, BH_num, Porgbr, Porg0,
                       SynchList_cor, OldStateList, StateList, SynchList_pre,
-                      fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor);
+                      fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor))
+  for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 #endif
 }
 
@@ -2571,9 +2605,10 @@ void bssn_class::ParallelStep()
   delete[] tporg;
   delete[] tporgo;
 #if (REGLEV == 0)
-  GH->Regrid_Onelevel(GH->mylev, Symmetry, BH_num, Porgbr, Porg0,
+  if (GH->Regrid_Onelevel(GH->mylev, Symmetry, BH_num, Porgbr, Porg0,
                       SynchList_cor, OldStateList, StateList, SynchList_pre,
-                      fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor);
+                      fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor))
+  for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 #endif
 }
 
@@ -2737,9 +2772,10 @@ void bssn_class::ParallelStep()
       if (lev + 1 >= GH->movls)
       {
         //	       GH->Regrid_Onelevel_aux(lev,Symmetry,BH_num,Porgbr,Porg0,
-        GH->Regrid_Onelevel(lev + 1, Symmetry, BH_num, Porgbr, Porg0,
+        if (GH->Regrid_Onelevel(lev + 1, Symmetry, BH_num, Porgbr, Porg0,
                             SynchList_cor, OldStateList, StateList, SynchList_pre,
-                            fgt(PhysTime - dT_levp1, StartTime, dT_levp1 / 2), ErrorMonitor);
+                            fgt(PhysTime - dT_levp1, StartTime, dT_levp1 / 2), ErrorMonitor))
+        for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
         //               a_stream.clear();
         //               a_stream.str("");
@@ -2751,9 +2787,10 @@ void bssn_class::ParallelStep()
     // for this level
     if (YN == 1)
     {
-      GH->Regrid_Onelevel(lev, Symmetry, BH_num, Porgbr, Porg0,
+      if (GH->Regrid_Onelevel(lev, Symmetry, BH_num, Porgbr, Porg0,
                           SynchList_cor, OldStateList, StateList, SynchList_pre,
-                          fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor);
+                          fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor))
+      for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
       //               a_stream.clear();
       //               a_stream.str("");
@@ -2769,9 +2806,10 @@ void bssn_class::ParallelStep()
         if (YN == 1)
         {
           //	   GH->Regrid_Onelevel_aux(lev-2,Symmetry,BH_num,Porgbr,Porg0,
-          GH->Regrid_Onelevel(lev - 1, Symmetry, BH_num, Porgbr, Porg0,
+          if (GH->Regrid_Onelevel(lev - 1, Symmetry, BH_num, Porgbr, Porg0,
                               SynchList_cor, OldStateList, StateList, SynchList_pre,
-                              fgt(PhysTime - dT_lev, StartTime, dT_levm1 / 2), ErrorMonitor);
+                              fgt(PhysTime - dT_lev, StartTime, dT_levm1 / 2), ErrorMonitor))
+          for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
           //               a_stream.clear();
           //               a_stream.str("");
@@ -2784,9 +2822,10 @@ void bssn_class::ParallelStep()
         if (i % 4 == 3)
         {
           //	   GH->Regrid_Onelevel_aux(lev-2,Symmetry,BH_num,Porgbr,Porg0,
-          GH->Regrid_Onelevel(lev - 1, Symmetry, BH_num, Porgbr, Porg0,
+          if (GH->Regrid_Onelevel(lev - 1, Symmetry, BH_num, Porgbr, Porg0,
                               SynchList_cor, OldStateList, StateList, SynchList_pre,
-                              fgt(PhysTime - dT_lev, StartTime, dT_levm1 / 2), ErrorMonitor);
+                              fgt(PhysTime - dT_lev, StartTime, dT_levm1 / 2), ErrorMonitor))
+          for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
           //               a_stream.clear();
           //               a_stream.str("");
@@ -3158,21 +3197,7 @@ void bssn_class::Step(int lev, int YN)
     }
     Pp = Pp->next;
   }
-  // check error information
+  // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
-  {
-    int erh = ERROR;
-    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
-  }
-  if (ERROR)
-  {
-    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime << ", lev = " << lev << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
-  }
 
 #ifdef WithShell
   // evolve Shell Patches
@@ -3190,9 +3215,9 @@ void bssn_class::Step(int lev, int YN)
         {
 #if (AGM == 0)
           f_enforce_ga(cg->shape,
-                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
+                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn],
                        cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
-                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn], 
+                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn],
                        cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
@@ -3316,25 +3341,16 @@ void bssn_class::Step(int lev, int YN)
 #endif
   }
 
-  // check error information
+  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req);
-  }
-
-  if (ERROR)
-  {
-    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " << PhysTime << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
   }
 #endif
 
-  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
+  Parallel::AsyncSyncState async_pre;
+  Parallel::Sync_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
 
 #ifdef WithShell
   if (lev == 0)
@@ -3347,12 +3363,29 @@ void bssn_class::Step(int lev, int YN)
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used " 
+      cout << " Shell stuff synchronization used "
-           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
            << " seconds! " << endl;
     }
   }
 #endif
+  Parallel::Sync_finish(sync_cache_pre[lev], async_pre, SynchList_pre, Symmetry);
+
+#ifdef WithShell
+  // Complete non-blocking error reduction and check
+  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
+  if (ERROR)
+  {
+    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
+    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime << ", lev = " << lev << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
+  }
+#endif
 
 #if (MAPBH == 0)
   // for black hole position
@@ -3528,24 +3561,7 @@ void bssn_class::Step(int lev, int YN)
       Pp = Pp->next;
     }
 
-    // check error information
+    // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
-    {
-      int erh = ERROR;
-      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
-    }
-
-    if (ERROR)
-    {
-      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count 
-                                << " variables at t = " << PhysTime 
-                                << ", lev = " << lev << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
 
 #ifdef WithShell
     // evolve Shell Patches
@@ -3563,9 +3579,9 @@ void bssn_class::Step(int lev, int YN)
           {
 #if (AGM == 0)
             f_enforce_ga(cg->shape,
-                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn], 
+                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn],
                          cg->fgfs[gyy->sgfn], cg->fgfs[gyz->sgfn], cg->fgfs[gzz->sgfn],
-                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn], 
+                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn],
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #elif (AGM == 1)
             if (iter_count == 3)
@@ -3685,26 +3701,16 @@ void bssn_class::Step(int lev, int YN)
         sPp = sPp->next;
       }
     }
-    // check error information
+    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_cor);
-    }
-    if (ERROR)
-    {
-      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" 
-                                << iter_count << " variables at t = " 
-                                << PhysTime << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
     }
 #endif
 
-    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
+    Parallel::AsyncSyncState async_cor;
+    Parallel::Sync_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
 
 #ifdef WithShell
     if (lev == 0)
@@ -3717,12 +3723,31 @@ void bssn_class::Step(int lev, int YN)
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used " 
+        cout << " Shell stuff synchronization used "
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
              << " seconds! " << endl;
       }
     }
 #endif
+    Parallel::Sync_finish(sync_cache_cor[lev], async_cor, SynchList_cor, Symmetry);
+
+#ifdef WithShell
+    // Complete non-blocking error reduction and check
+    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
+    if (ERROR)
+    {
+      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
+      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count
+                                << " variables at t = " << PhysTime
+                                << ", lev = " << lev << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
+#endif
 
 #if (MAPBH == 0)
     // for black hole position
@@ -4034,22 +4059,7 @@ void bssn_class::Step(int lev, int YN)
     }
     Pp = Pp->next;
   }
-  // check error information
+  // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
-  {
-    int erh = ERROR;
-    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
-  }
-  if (ERROR)
-  {
-    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime 
-                              << ", lev = " << lev << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
-  }
 
 #ifdef WithShell
   // evolve Shell Patches
@@ -4067,15 +4077,15 @@ void bssn_class::Step(int lev, int YN)
         {
 #if (AGM == 0)
           f_enforce_ga(cg->shape,
-                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
+                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn],
                        cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
-                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn], 
+                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn],
                        cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
           if (f_compute_rhs_bssn_ss(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
-                                    cg->fgfs[fngfs + ShellPatch::gx], 
+                                    cg->fgfs[fngfs + ShellPatch::gx],
-                                    cg->fgfs[fngfs + ShellPatch::gy], 
+                                    cg->fgfs[fngfs + ShellPatch::gy],
                                     cg->fgfs[fngfs + ShellPatch::gz],
                                     cg->fgfs[fngfs + ShellPatch::drhodx], 
                                     cg->fgfs[fngfs + ShellPatch::drhody], 
@@ -4190,25 +4200,16 @@ void bssn_class::Step(int lev, int YN)
   }
 #endif
   }
-  // check error information
+  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req);
-  }
-  if (ERROR)
-  {
-    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " 
-                              << PhysTime << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
   }
 #endif
 
-  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
+  Parallel::AsyncSyncState async_pre;
+  Parallel::Sync_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
 
 #ifdef WithShell
   if (lev == 0)
@@ -4221,9 +4222,27 @@ void bssn_class::Step(int lev, int YN)
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used " 
+      cout << " Shell stuff synchronization used "
-      << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
-      << " seconds! " << endl;
+           << " seconds! " << endl;
+    }
+  }
+#endif
+  Parallel::Sync_finish(sync_cache_pre[lev], async_pre, SynchList_pre, Symmetry);
+
+#ifdef WithShell
+  // Complete non-blocking error reduction and check
+  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
+  if (ERROR)
+  {
+    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
+    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime
+                              << ", lev = " << lev << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
     }
   }
 #endif
@@ -4386,23 +4405,7 @@ void bssn_class::Step(int lev, int YN)
       Pp = Pp->next;
     }
 
-    // check error information
+    // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
-    {
-      int erh = ERROR;
-      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
-    }
-    if (ERROR)
-    {
-      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count 
-                                << " variables at t = " << PhysTime 
-                                << ", lev = " << lev << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
 
 #ifdef WithShell
     // evolve Shell Patches
@@ -4420,9 +4423,9 @@ void bssn_class::Step(int lev, int YN)
           {
 #if (AGM == 0)
             f_enforce_ga(cg->shape,
-                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn], 
+                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn],
                          cg->fgfs[gyy->sgfn], cg->fgfs[gyz->sgfn], cg->fgfs[gzz->sgfn],
-                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn], 
+                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn],
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #elif (AGM == 1)
             if (iter_count == 3)
@@ -4542,25 +4545,16 @@ void bssn_class::Step(int lev, int YN)
         sPp = sPp->next;
       }
     }
-    // check error information
+    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_cor);
-    }
-    if (ERROR)
-    {
-      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" << iter_count 
-                                << " variables at t = " << PhysTime << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
     }
 #endif
 
-    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
+    Parallel::AsyncSyncState async_cor;
+    Parallel::Sync_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
 
 #ifdef WithShell
     if (lev == 0)
@@ -4573,11 +4567,30 @@ void bssn_class::Step(int lev, int YN)
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used " 
+        cout << " Shell stuff synchronization used "
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
              << " seconds! " << endl;
       }
     }
+#endif
+    Parallel::Sync_finish(sync_cache_cor[lev], async_cor, SynchList_cor, Symmetry);
+
+#ifdef WithShell
+    // Complete non-blocking error reduction and check
+    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
+    if (ERROR)
+    {
+      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
+      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count
+                                << " variables at t = " << PhysTime
+                                << ", lev = " << lev << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
 #endif
     // for black hole position
     if (BH_num > 0 && lev == GH->levels - 1)
@@ -4943,11 +4956,19 @@ void bssn_class::Step(int lev, int YN)
 
   //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Predictor rhs calculation");
 
-  // check error information
+  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev]);
+    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev], &err_req);
   }
+
+  //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Predictor sync");
+
+  Parallel::Sync_cached(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev]);
+
+  // Complete non-blocking error reduction and check
+  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
   if (ERROR)
   {
     Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
@@ -4959,10 +4980,6 @@ void bssn_class::Step(int lev, int YN)
     }
   }
 
-  //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Predictor sync");
-
-  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
-
 #if (MAPBH == 0)
   // for black hole position
   if (BH_num > 0 && lev == GH->levels - 1)
@@ -5140,30 +5157,34 @@ void bssn_class::Step(int lev, int YN)
 
     //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector error check");
 
-    // check error information
+    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev]);
+      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev], &err_req_cor);
     }
+
+    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector sync");
+
+    Parallel::Sync_cached(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev]);
+
+    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Corrector sync");
+
+    // Complete non-blocking error reduction and check
+    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
     if (ERROR)
     {
       Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
         if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count 
+          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count
-                                << " variables at t = " << PhysTime 
+                                << " variables at t = " << PhysTime
                                 << ", lev = " << lev << endl;
         MPI_Abort(MPI_COMM_WORLD, 1);
       }
     }
 
-    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector sync");
-
-    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
-
-    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Corrector sync");
-
 #if (MAPBH == 0)
     // for black hole position
     if (BH_num > 0 && lev == GH->levels - 1)
@@ -5447,21 +5468,11 @@ void bssn_class::SHStep()
 #if (PSTR == 1 || PSTR == 2)
 //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Predictor's error check");
 #endif
-  // check error information
+  // Non-blocking error reduction overlapped with Synch to hide Allreduce latency
+  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req);
-  }
-
-  if (ERROR)
-  {
-    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " << PhysTime << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
   }
 
   {
@@ -5473,12 +5484,25 @@ void bssn_class::SHStep()
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used " 
+      cout << " Shell stuff synchronization used "
-           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
            << " seconds! " << endl;
     }
   }
 
+  // Complete non-blocking error reduction and check
+  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
+  if (ERROR)
+  {
+    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " << PhysTime << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
+  }
+
   // corrector
   for (iter_count = 1; iter_count < 4; iter_count++)
   {
@@ -5621,21 +5645,11 @@ void bssn_class::SHStep()
         sPp = sPp->next;
       }
     }
-    // check error information
+    // Non-blocking error reduction overlapped with Synch to hide Allreduce latency
+    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_cor);
-    }
-    if (ERROR)
-    {
-      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" << iter_count 
-                                << " variables at t = " << PhysTime << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
     }
 
     {
@@ -5647,12 +5661,26 @@ void bssn_class::SHStep()
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used " 
+        cout << " Shell stuff synchronization used "
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
              << " seconds! " << endl;
       }
     }
 
+    // Complete non-blocking error reduction and check
+    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
+    if (ERROR)
+    {
+      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" << iter_count
+                                << " variables at t = " << PhysTime << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
+
     sPp = SH->PatL;
     while (sPp)
     {
@@ -5781,7 +5809,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 //       misc::tillherecheck(GH->Commlev[GH->mylev],GH->start_rank[GH->mylev],a_stream.str());
 #endif
 
-      Parallel::Sync(GH->PatL[lev - 1], SynchList_pre, Symmetry);
+      Parallel::Sync_cached(GH->PatL[lev - 1], SynchList_pre, Symmetry, sync_cache_rp_coarse[lev]);
 
 #if (PSTR == 1 || PSTR == 2)
 //       a_stream.clear();
@@ -5791,21 +5819,11 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 #endif
 
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, SynchList_pre, SL, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SL, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, SynchList_pre, SL, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SL, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],SynchList_pre,SL,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SL, GH->bdsul[lev], Symmetry);
@@ -5842,7 +5860,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 //       misc::tillherecheck(GH->Commlev[GH->mylev],GH->start_rank[GH->mylev],a_stream.str());
 #endif
 
-      Parallel::Sync(GH->PatL[lev - 1], SL, Symmetry);
+      Parallel::Sync_cached(GH->PatL[lev - 1], SL, Symmetry, sync_cache_rp_coarse[lev]);
 
 #if (PSTR == 1 || PSTR == 2)
 //       a_stream.clear();
@@ -5852,21 +5870,11 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 #endif
 
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, SL, SL, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, SL, SL, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],SL,SL,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, GH->bdsul[lev], Symmetry);
@@ -5880,7 +5888,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 #endif
     }
 
-    Parallel::Sync(GH->PatL[lev], SL, Symmetry);
+    Parallel::Sync_cached(GH->PatL[lev], SL, Symmetry, sync_cache_rp_fine[lev]);
 
 #if (PSTR == 1 || PSTR == 2)
 //    a_stream.clear();
@@ -5938,24 +5946,14 @@ void bssn_class::RestrictProlong_aux(int lev, int YN, bool BB,
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SL, SynchList_pre, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync(GH->PatL[lev - 1], SynchList_pre, Symmetry);
+      Parallel::Sync_cached(GH->PatL[lev - 1], SynchList_pre, Symmetry, sync_cache_rp_coarse[lev]);
 
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, SynchList_pre, SL, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SL, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, SynchList_pre, SL, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SL, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],SynchList_pre,SL,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SL, GH->bdsul[lev], Symmetry);
@@ -5970,31 +5968,21 @@ void bssn_class::RestrictProlong_aux(int lev, int YN, bool BB,
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync(GH->PatL[lev - 1], SL, Symmetry);
+      Parallel::Sync_cached(GH->PatL[lev - 1], SL, Symmetry, sync_cache_rp_coarse[lev]);
 
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, SL, SL, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, SL, SL, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],SL,SL,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, GH->bdsul[lev], Symmetry);
 #endif
     }
 
-    Parallel::Sync(GH->PatL[lev], SL, Symmetry);
+    Parallel::Sync_cached(GH->PatL[lev], SL, Symmetry, sync_cache_rp_fine[lev]);
   }
 }
 
@@ -6045,24 +6033,14 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB)
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_cor, SynchList_pre, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync(GH->PatL[lev - 1], SynchList_pre, Symmetry);
+      Parallel::Sync_cached(GH->PatL[lev - 1], SynchList_pre, Symmetry, sync_cache_rp_coarse[lev]);
 
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, SynchList_pre, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SynchList_cor, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, SynchList_pre, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SynchList_cor, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],SynchList_pre,SynchList_cor,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SynchList_cor, GH->bdsul[lev], Symmetry);
@@ -6079,31 +6057,21 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB)
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_cor, StateList, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync(GH->PatL[lev - 1], StateList, Symmetry);
+      Parallel::Sync_cached(GH->PatL[lev - 1], StateList, Symmetry, sync_cache_rp_coarse[lev]);
 
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, StateList, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], StateList, SynchList_cor, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, StateList, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], StateList, SynchList_cor, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],StateList,SynchList_cor,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], StateList, SynchList_cor, GH->bdsul[lev], Symmetry);
 #endif
     }
 
-    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
+    Parallel::Sync_cached(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_rp_fine[lev]);
   }
 }
 
@@ -6133,21 +6101,11 @@ void bssn_class::ProlongRestrict(int lev, int YN, bool BB)
       }
 
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, SynchList_pre, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SynchList_cor, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, SynchList_pre, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SynchList_cor, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],SynchList_pre,SynchList_cor,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_pre, SynchList_cor, GH->bdsul[lev], Symmetry);
@@ -6156,21 +6114,11 @@ void bssn_class::ProlongRestrict(int lev, int YN, bool BB)
     else // no time refinement levels and for all same time levels
     {
 #if (RPB == 0)
-      Ppc = GH->PatL[lev - 1];
-      while (Ppc)
-      {
-        Pp = GH->PatL[lev];
-        while (Pp)
-        {
 #if (MIXOUTB == 0)
-          Parallel::OutBdLow2Hi(Ppc->data, Pp->data, StateList, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Hi(GH->PatL[lev - 1], GH->PatL[lev], StateList, SynchList_cor, Symmetry);
 #elif (MIXOUTB == 1)
-          Parallel::OutBdLow2Himix(Ppc->data, Pp->data, StateList, SynchList_cor, Symmetry);
+      Parallel::OutBdLow2Himix(GH->PatL[lev - 1], GH->PatL[lev], StateList, SynchList_cor, Symmetry);
 #endif
-          Pp = Pp->next;
-        }
-        Ppc = Ppc->next;
-      }
 #elif (RPB == 1)
       //       Parallel::OutBdLow2Hi_bam(GH->PatL[lev-1],GH->PatL[lev],StateList,SynchList_cor,Symmetry);
       Parallel::OutBdLow2Hi_bam(GH->PatL[lev - 1], GH->PatL[lev], StateList, SynchList_cor, GH->bdsul[lev], Symmetry);
@@ -6186,10 +6134,10 @@ void bssn_class::ProlongRestrict(int lev, int YN, bool BB)
 #else
       Parallel::Restrict_after(GH->PatL[lev - 1], GH->PatL[lev], SynchList_cor, StateList, Symmetry);
 #endif
-      Parallel::Sync(GH->PatL[lev - 1], StateList, Symmetry);
+      Parallel::Sync_cached(GH->PatL[lev - 1], StateList, Symmetry, sync_cache_rp_coarse[lev]);
     }
 
-    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
+    Parallel::Sync_cached(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_rp_fine[lev]);
   }
 }
 #undef MIXOUTB

AMSS_NCKU_source/bssn_class.h

@@ -126,6 +126,11 @@ public:
        MyList<var> *OldStateList, *DumpList;
        MyList<var> *ConstraintList;
 
+       Parallel::SyncCache *sync_cache_pre;  // per-level cache for predictor sync
+       Parallel::SyncCache *sync_cache_cor;  // per-level cache for corrector sync
+       Parallel::SyncCache *sync_cache_rp_coarse;  // RestrictProlong sync on PatL[lev-1]
+       Parallel::SyncCache *sync_cache_rp_fine;    // RestrictProlong sync on PatL[lev]
+
        monitor *ErrorMonitor, *Psi4Monitor, *BHMonitor, *MAPMonitor;
        monitor *ConVMonitor;
        surface_integral *Waveshell;

AMSS_NCKU_source/bssn_rhs.f90

@@ -945,103 +945,60 @@
   SSA(2)=SYM
   SSA(3)=ANTI
 
-!!!!!!!!!advection term part
+!!!!!!!!!advection term + Kreiss-Oliger dissipation (merged for cache efficiency)
+! lopsided_kodis shares the symmetry_bd buffer between advection and
+! dissipation, eliminating redundant full-grid copies. For metric variables
+! gxx/gyy/gzz (=dxx/dyy/dzz+1): kodis stencil coefficients sum to zero,
+! so the constant offset has no effect on dissipation.
 
-  call lopsided(ex,X,Y,Z,gxx,gxx_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,gxx,gxx_rhs,betax,betay,betaz,Symmetry,SSS,eps)
-  call lopsided(ex,X,Y,Z,gxy,gxy_rhs,betax,betay,betaz,Symmetry,AAS)
+  call lopsided_kodis(ex,X,Y,Z,gxy,gxy_rhs,betax,betay,betaz,Symmetry,AAS,eps)
-  call lopsided(ex,X,Y,Z,gxz,gxz_rhs,betax,betay,betaz,Symmetry,ASA)
+  call lopsided_kodis(ex,X,Y,Z,gxz,gxz_rhs,betax,betay,betaz,Symmetry,ASA,eps)
-  call lopsided(ex,X,Y,Z,gyy,gyy_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,gyy,gyy_rhs,betax,betay,betaz,Symmetry,SSS,eps)
-  call lopsided(ex,X,Y,Z,gyz,gyz_rhs,betax,betay,betaz,Symmetry,SAA)
+  call lopsided_kodis(ex,X,Y,Z,gyz,gyz_rhs,betax,betay,betaz,Symmetry,SAA,eps)
-  call lopsided(ex,X,Y,Z,gzz,gzz_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,gzz,gzz_rhs,betax,betay,betaz,Symmetry,SSS,eps)
 
-  call lopsided(ex,X,Y,Z,Axx,Axx_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,Axx,Axx_rhs,betax,betay,betaz,Symmetry,SSS,eps)
-  call lopsided(ex,X,Y,Z,Axy,Axy_rhs,betax,betay,betaz,Symmetry,AAS)
+  call lopsided_kodis(ex,X,Y,Z,Axy,Axy_rhs,betax,betay,betaz,Symmetry,AAS,eps)
-  call lopsided(ex,X,Y,Z,Axz,Axz_rhs,betax,betay,betaz,Symmetry,ASA)
+  call lopsided_kodis(ex,X,Y,Z,Axz,Axz_rhs,betax,betay,betaz,Symmetry,ASA,eps)
-  call lopsided(ex,X,Y,Z,Ayy,Ayy_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,Ayy,Ayy_rhs,betax,betay,betaz,Symmetry,SSS,eps)
-  call lopsided(ex,X,Y,Z,Ayz,Ayz_rhs,betax,betay,betaz,Symmetry,SAA)
+  call lopsided_kodis(ex,X,Y,Z,Ayz,Ayz_rhs,betax,betay,betaz,Symmetry,SAA,eps)
-  call lopsided(ex,X,Y,Z,Azz,Azz_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,Azz,Azz_rhs,betax,betay,betaz,Symmetry,SSS,eps)
 
-  call lopsided(ex,X,Y,Z,chi,chi_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,chi,chi_rhs,betax,betay,betaz,Symmetry,SSS,eps)
-  call lopsided(ex,X,Y,Z,trK,trK_rhs,betax,betay,betaz,Symmetry,SSS)
+  call lopsided_kodis(ex,X,Y,Z,trK,trK_rhs,betax,betay,betaz,Symmetry,SSS,eps)
 
-  call lopsided(ex,X,Y,Z,Gamx,Gamx_rhs,betax,betay,betaz,Symmetry,ASS)
+  call lopsided_kodis(ex,X,Y,Z,Gamx,Gamx_rhs,betax,betay,betaz,Symmetry,ASS,eps)
-  call lopsided(ex,X,Y,Z,Gamy,Gamy_rhs,betax,betay,betaz,Symmetry,SAS)
+  call lopsided_kodis(ex,X,Y,Z,Gamy,Gamy_rhs,betax,betay,betaz,Symmetry,SAS,eps)
-  call lopsided(ex,X,Y,Z,Gamz,Gamz_rhs,betax,betay,betaz,Symmetry,SSA)
+  call lopsided_kodis(ex,X,Y,Z,Gamz,Gamz_rhs,betax,betay,betaz,Symmetry,SSA,eps)
-!!
+
+#if 1 
+!! bam does not apply dissipation on gauge variables
+  call lopsided_kodis(ex,X,Y,Z,Lap,Lap_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+#if (GAUGE == 0 || GAUGE == 1 || GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5 || GAUGE == 6 || GAUGE == 7)
+  call lopsided_kodis(ex,X,Y,Z,betax,betax_rhs,betax,betay,betaz,Symmetry,ASS,eps)
+  call lopsided_kodis(ex,X,Y,Z,betay,betay_rhs,betax,betay,betaz,Symmetry,SAS,eps)
+  call lopsided_kodis(ex,X,Y,Z,betaz,betaz_rhs,betax,betay,betaz,Symmetry,SSA,eps)
+#endif
+#if (GAUGE == 0 || GAUGE == 2 || GAUGE == 3 || GAUGE == 6 || GAUGE == 7)
+  call lopsided_kodis(ex,X,Y,Z,dtSfx,dtSfx_rhs,betax,betay,betaz,Symmetry,ASS,eps)
+  call lopsided_kodis(ex,X,Y,Z,dtSfy,dtSfy_rhs,betax,betay,betaz,Symmetry,SAS,eps)
+  call lopsided_kodis(ex,X,Y,Z,dtSfz,dtSfz_rhs,betax,betay,betaz,Symmetry,SSA,eps)
+#endif
+#else
+! No dissipation on gauge variables (advection only)
   call lopsided(ex,X,Y,Z,Lap,Lap_rhs,betax,betay,betaz,Symmetry,SSS)
-
 #if (GAUGE == 0 || GAUGE == 1 || GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5 || GAUGE == 6 || GAUGE == 7)
   call lopsided(ex,X,Y,Z,betax,betax_rhs,betax,betay,betaz,Symmetry,ASS)
   call lopsided(ex,X,Y,Z,betay,betay_rhs,betax,betay,betaz,Symmetry,SAS)
   call lopsided(ex,X,Y,Z,betaz,betaz_rhs,betax,betay,betaz,Symmetry,SSA)
 #endif
-
 #if (GAUGE == 0 || GAUGE == 2 || GAUGE == 3 || GAUGE == 6 || GAUGE == 7)
   call lopsided(ex,X,Y,Z,dtSfx,dtSfx_rhs,betax,betay,betaz,Symmetry,ASS)
   call lopsided(ex,X,Y,Z,dtSfy,dtSfy_rhs,betax,betay,betaz,Symmetry,SAS)
   call lopsided(ex,X,Y,Z,dtSfz,dtSfz_rhs,betax,betay,betaz,Symmetry,SSA)
 #endif
-
-  if(eps>0)then 
-! usual Kreiss-Oliger dissipation      
-  call kodis(ex,X,Y,Z,chi,chi_rhs,SSS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,trK,trK_rhs,SSS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,dxx,gxx_rhs,SSS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,gxy,gxy_rhs,AAS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,gxz,gxz_rhs,ASA,Symmetry,eps)
-  call kodis(ex,X,Y,Z,dyy,gyy_rhs,SSS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,gyz,gyz_rhs,SAA,Symmetry,eps)
-  call kodis(ex,X,Y,Z,dzz,gzz_rhs,SSS,Symmetry,eps)
-#if 0
-#define i 42
-#define j 40
-#define k 40
-if(Lev == 1)then
-write(*,*) X(i),Y(j),Z(k)
-write(*,*) "before",Axx_rhs(i,j,k)
-endif
-#undef i
-#undef j
-#undef k
-!!stop
 #endif
-  call kodis(ex,X,Y,Z,Axx,Axx_rhs,SSS,Symmetry,eps)
-#if 0
-#define i 42
-#define j 40
-#define k 40
-if(Lev == 1)then
-write(*,*) X(i),Y(j),Z(k)
-write(*,*) "after",Axx_rhs(i,j,k)
-endif
-#undef i
-#undef j
-#undef k
-!!stop
-#endif
-  call kodis(ex,X,Y,Z,Axy,Axy_rhs,AAS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,Axz,Axz_rhs,ASA,Symmetry,eps)
-  call kodis(ex,X,Y,Z,Ayy,Ayy_rhs,SSS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,Ayz,Ayz_rhs,SAA,Symmetry,eps)
-  call kodis(ex,X,Y,Z,Azz,Azz_rhs,SSS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,Gamx,Gamx_rhs,ASS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,Gamy,Gamy_rhs,SAS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,Gamz,Gamz_rhs,SSA,Symmetry,eps)
-
-#if 1 
-!! bam does not apply dissipation on gauge variables
-  call kodis(ex,X,Y,Z,Lap,Lap_rhs,SSS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,betax,betax_rhs,ASS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,betay,betay_rhs,SAS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,betaz,betaz_rhs,SSA,Symmetry,eps)
-#if (GAUGE == 0 || GAUGE == 2 || GAUGE == 3 || GAUGE == 6 || GAUGE == 7)
-  call kodis(ex,X,Y,Z,dtSfx,dtSfx_rhs,ASS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,dtSfy,dtSfy_rhs,SAS,Symmetry,eps)
-  call kodis(ex,X,Y,Z,dtSfz,dtSfz_rhs,SSA,Symmetry,eps)
-#endif
-#endif
-
-  endif
 
   if(co == 0)then
 ! ham_Res = trR + 2/3 * K^2 - A_ij * A^ij - 16 * PI * rho

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)
@@ -1301,13 +1305,13 @@ bool cgh::Interp_One_Point(MyList<var> *VarList,
 }
 
 
-void cgh::Regrid_Onelevel(int lev, int Symmetry, int BH_num, double **Porgbr, double **Porg0,
+bool cgh::Regrid_Onelevel(int lev, int Symmetry, int BH_num, double **Porgbr, double **Porg0,
                           MyList<var> *OldList, MyList<var> *StateList,
                           MyList<var> *FutureList, MyList<var> *tmList, bool BB,
                           monitor *ErrorMonitor)
 {
   if (lev < movls)
-    return;
+    return false;
 
 #if (0)
   // #if (PSTR == 1 || PSTR == 2)
@@ -1396,7 +1400,7 @@ void cgh::Regrid_Onelevel(int lev, int Symmetry, int BH_num, double **Porgbr, do
       for (bhi = 0; bhi < BH_num; bhi++)
         delete[] tmpPorg[bhi];
       delete[] tmpPorg;
-      return;
+      return false;
     }
     // x direction
     rr = (Porg0[bhi][0] - handle[lev][grd][0]) / dX;
@@ -1500,6 +1504,7 @@ void cgh::Regrid_Onelevel(int lev, int Symmetry, int BH_num, double **Porgbr, do
   for (int bhi = 0; bhi < BH_num; bhi++)
     delete[] tmpPorg[bhi];
   delete[] tmpPorg;
+  return tot_flag;
 }
 
 

AMSS_NCKU_source/cgh.h

@@ -74,7 +74,7 @@ public:
                                MyList<var> *OldList, MyList<var> *StateList,
                                MyList<var> *FutureList, MyList<var> *tmList,
                                int Symmetry, bool BB);
-   void Regrid_Onelevel(int lev, int Symmetry, int BH_num, double **Porgbr, double **Porg0,
+   bool Regrid_Onelevel(int lev, int Symmetry, int BH_num, double **Porgbr, double **Porg0,
                         MyList<var> *OldList, MyList<var> *StateList,
                         MyList<var> *FutureList, MyList<var> *tmList, bool BB,
                         monitor *ErrorMonitor);

AMSS_NCKU_source/diff_new.f90

@@ -69,10 +69,12 @@
   fy = ZEO
   fz = ZEO
 
+!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
+!DIR$ UNROLL PARTIAL(4)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
-! x direction   
+! x direction
         if(i+1 <= imax .and. i-1 >= imin)then
 !
 !              - f(i-1) + f(i+1)
@@ -371,6 +373,8 @@
   fxz = ZEO
   fyz = ZEO
 
+!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
+!DIR$ UNROLL PARTIAL(4)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1

AMSS_NCKU_source/fdderivs_c.C

@@ -0,0 +1,268 @@
+#include "tool.h"
+void fdderivs(const int ex[3],
+              const double *f,
+              double *fxx, double *fxy, double *fxz,
+              double *fyy, double *fyz, double *fzz,
+              const double *X, const double *Y, const double *Z,
+              double SYM1, double SYM2, double SYM3,
+              int Symmetry, int onoff)
+{
+    (void)onoff;
+
+    const int NO_SYMM = 0, EQ_SYMM = 1;
+    const double ZEO = 0.0, ONE = 1.0, TWO = 2.0;
+    const double F1o4   = 2.5e-1;          // 1/4
+    const double F8     = 8.0;
+    const double F16    = 16.0;
+    const double F30    = 30.0;
+    const double F1o12  = ONE / 12.0;
+    const double F1o144 = ONE / 144.0;
+
+    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
+
+    const double dX = X[1] - X[0];
+    const double dY = Y[1] - Y[0];
+    const double dZ = Z[1] - Z[0];
+
+    const int imaxF = ex1;
+    const int jmaxF = ex2;
+    const int kmaxF = ex3;
+
+    int iminF = 1, jminF = 1, kminF = 1;
+    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -1;
+    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -1;
+    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -1;
+
+    const double SoA[3] = { SYM1, SYM2, SYM3 };
+
+    /* fh: (ex1+2)*(ex2+2)*(ex3+2) because ord=2 */
+    const size_t nx = (size_t)ex1 + 2;
+    const size_t ny = (size_t)ex2 + 2;
+    const size_t nz = (size_t)ex3 + 2;
+    const size_t fh_size = nx * ny * nz;
+
+    static double *fh = NULL;
+    static size_t cap = 0;
+
+    if (fh_size > cap) {
+        free(fh);
+        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
+        cap = fh_size;
+    }
+    // double *fh = (double*)malloc(fh_size * sizeof(double));
+    if (!fh) return;
+
+    symmetry_bd(2, ex, f, fh, SoA);
+
+    /* 系数：按 Fortran 原式 */
+    const double Sdxdx = ONE / (dX * dX);
+    const double Sdydy = ONE / (dY * dY);
+    const double Sdzdz = ONE / (dZ * dZ);
+
+    const double Fdxdx = F1o12 / (dX * dX);
+    const double Fdydy = F1o12 / (dY * dY);
+    const double Fdzdz = F1o12 / (dZ * dZ);
+
+    const double Sdxdy = F1o4 / (dX * dY);
+    const double Sdxdz = F1o4 / (dX * dZ);
+    const double Sdydz = F1o4 / (dY * dZ);
+
+    const double Fdxdy = F1o144 / (dX * dY);
+    const double Fdxdz = F1o144 / (dX * dZ);
+    const double Fdydz = F1o144 / (dY * dZ);
+
+    /* 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:
+     * do k=1,ex3-1
+     * do j=1,ex2-1
+     * do i=1,ex1-1
+     */
+    
+    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
+        const int kF = k0 + 1;
+        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
+            const int jF = j0 + 1;
+            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
+                const int iF = i0 + 1;
+                const size_t p = idx_ex(i0, j0, k0, ex);
+
+                /* 高阶分支：i±2,j±2,k±2 都在范围内 */
+                if ((iF + 2) <= imaxF && (iF - 2) >= iminF &&
+                    (jF + 2) <= jmaxF && (jF - 2) >= jminF &&
+                    (kF + 2) <= kmaxF && (kF - 2) >= kminF)
+                {
+                    fxx[p] = Fdxdx * (
+                        -fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] +
+                        F16 * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
+                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
+                        fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)] +
+                        F16 * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
+                    );
+
+                    fyy[p] = Fdydy * (
+                        -fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] +
+                        F16 * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
+                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
+                        fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)] +
+                        F16 * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
+                    );
+
+                    fzz[p] = Fdzdz * (
+                        -fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] +
+                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
+                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
+                        fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)] +
+                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
+                    );
+
+                    /* fxy 高阶：完全照搬 Fortran 的括号结构 */
+                    {
+                        const double t_jm2 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF - 2, kF, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 2, kF, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 2, kF, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF - 2, kF, ex)] );
+
+                        const double t_jm1 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF - 1, kF, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF - 1, kF, ex)] );
+
+                        const double t_jp1 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF + 1, kF, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF + 1, kF, ex)] );
+
+                        const double t_jp2 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF + 2, kF, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 2, kF, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 2, kF, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF + 2, kF, ex)] );
+
+                        fxy[p] = Fdxdy * ( t_jm2 - F8 * t_jm1 + F8 * t_jp1 - t_jp2 );
+                    }
+
+                    /* fxz 高阶 */
+                    {
+                        const double t_km2 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 2, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 2, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 2, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 2, ex)] );
+
+                        const double t_km1 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 1, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 1, ex)] );
+
+                        const double t_kp1 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 1, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 1, ex)] );
+
+                        const double t_kp2 =
+                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 2, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 2, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 2, ex)]
+                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 2, ex)] );
+
+                        fxz[p] = Fdxdz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
+                    }
+
+                    /* fyz 高阶 */
+                    {
+                        const double t_km2 =
+                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 2, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 2, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 2, ex)]
+                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 2, ex)] );
+
+                        const double t_km1 =
+                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 1, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)]
+                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 1, ex)] );
+
+                        const double t_kp1 =
+                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 1, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
+                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 1, ex)] );
+
+                        const double t_kp2 =
+                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 2, ex)]
+                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 2, ex)]
+                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 2, ex)]
+                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 2, ex)] );
+
+                        fyz[p] = Fdydz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
+                    }
+                }
+                /* 二阶分支：i±1,j±1,k±1 在范围内 */
+                else if ((iF + 1) <= imaxF && (iF - 1) >= iminF &&
+                         (jF + 1) <= jmaxF && (jF - 1) >= jminF &&
+                         (kF + 1) <= kmaxF && (kF - 1) >= kminF)
+                {
+                    fxx[p] = Sdxdx * (
+                        fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
+                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
+                        fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
+                    );
+
+                    fyy[p] = Sdydy * (
+                        fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
+                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
+                        fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
+                    );
+
+                    fzz[p] = Sdzdz * (
+                        fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
+                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
+                        fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
+                    );
+
+                    fxy[p] = Sdxdy * (
+                        fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)] -
+                        fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)] -
+                        fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)] +
+                        fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
+                    );
+
+                    fxz[p] = Sdxdz * (
+                        fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)] -
+                        fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)] -
+                        fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)] +
+                        fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
+                    );
+
+                    fyz[p] = Sdydz * (
+                        fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)] -
+                        fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)] -
+                        fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)] +
+                        fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
+                    );
+                }else{
+                    fxx[p] = 0.0;
+                    fyy[p] = 0.0;
+                    fzz[p] = 0.0;
+                    fxy[p] = 0.0;
+                    fxz[p] = 0.0;
+                    fyz[p] = 0.0;
+                }
+            }
+        }
+    }
+
+    // free(fh);
+}

AMSS_NCKU_source/fderivs_c.C

@@ -0,0 +1,150 @@
+#include "tool.h"
+
+/*
+ * C 版 fderivs
+ *
+ * Fortran:
+ * subroutine fderivs(ex,f,fx,fy,fz,X,Y,Z,SYM1,SYM2,SYM3,symmetry,onoff)
+ *
+ * 约定：
+ *   f, fx, fy, fz: ex1*ex2*ex3，按 idx_ex 布局
+ *   X: ex1, Y: ex2, Z: ex3
+ */
+void fderivs(const int ex[3],
+             const double *f,
+             double *fx, double *fy, double *fz,
+             const double *X, const double *Y, const double *Z,
+             double SYM1, double SYM2, double SYM3,
+             int Symmetry, int onoff)
+{
+    (void)onoff; // Fortran 里没用到
+
+    const double ZEO = 0.0, ONE = 1.0;
+    const double TWO = 2.0, EIT = 8.0;
+    const double F12 = 12.0;
+
+    const int NO_SYMM = 0, EQ_SYMM = 1; // OCTANT=2 在本子程序里不直接用
+
+    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
+
+    // dX = X(2)-X(1) -> C: X[1]-X[0]
+    const double dX = X[1] - X[0];
+    const double dY = Y[1] - Y[0];
+    const double dZ = Z[1] - Z[0];
+
+    // Fortran 1-based bounds
+    const int imaxF = ex1;
+    const int jmaxF = ex2;
+    const int kmaxF = ex3;
+
+    int iminF = 1, jminF = 1, kminF = 1;
+    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -1;
+    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -1;
+    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -1;
+
+    // SoA(1:3) = SYM1,SYM2,SYM3
+    const double SoA[3] = { SYM1, SYM2, SYM3 };
+
+    // fh: (ex1+2)*(ex2+2)*(ex3+2) because ord=2
+    const size_t nx = (size_t)ex1 + 2;
+    const size_t ny = (size_t)ex2 + 2;
+    const size_t nz = (size_t)ex3 + 2;
+    const size_t fh_size = nx * ny * nz;
+    static double *fh = NULL;
+    static size_t cap = 0;
+
+    if (fh_size > cap) {
+        free(fh);
+        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
+        cap = fh_size;
+    }
+    // double *fh = (double*)malloc(fh_size * sizeof(double));
+    if (!fh) return;
+
+    // call symmetry_bd(2,ex,f,fh,SoA)
+    symmetry_bd(2, ex, f, fh, SoA);
+
+    const double d12dx = ONE / F12 / dX;
+    const double d12dy = ONE / F12 / dY;
+    const double d12dz = ONE / F12 / dZ;
+
+    const double d2dx  = ONE / TWO / dX;
+    const double d2dy  = ONE / TWO / dY;
+    const double d2dz  = ONE / TWO / dZ;
+
+    // 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:
+     * do k=1,ex3-1
+     * do j=1,ex2-1
+     * do i=1,ex1-1
+     *
+     * C: k0=0..ex3-2, j0=0..ex2-2, i0=0..ex1-2
+     */
+    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
+        const int kF = k0 + 1;
+        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
+            const int jF = j0 + 1;
+            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
+                const int iF = i0 + 1;
+                const size_t p = idx_ex(i0, j0, k0, ex);
+
+                // if(i+2 <= imax .and. i-2 >= imin ... )  (全是 Fortran 索引)
+                if ((iF + 2) <= imaxF && (iF - 2) >= iminF &&
+                    (jF + 2) <= jmaxF && (jF - 2) >= jminF &&
+                    (kF + 2) <= kmaxF && (kF - 2) >= kminF)
+                {
+                    fx[p] = d12dx * (
+                        fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] -
+                        EIT * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] +
+                        EIT * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)] -
+                        fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)]
+                    );
+
+                    fy[p] = d12dy * (
+                        fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] -
+                        EIT * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] +
+                        EIT * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)] -
+                        fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)]
+                    );
+
+                    fz[p] = d12dz * (
+                        fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] -
+                        EIT * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] +
+                        EIT * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)] -
+                        fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)]
+                    );
+                }
+                // elseif(i+1 <= imax .and. i-1 >= imin ...)
+                else if ((iF + 1) <= imaxF && (iF - 1) >= iminF &&
+                         (jF + 1) <= jmaxF && (jF - 1) >= jminF &&
+                         (kF + 1) <= kmaxF && (kF - 1) >= kminF)
+                {
+                    fx[p] = d2dx * (
+                        -fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] +
+                         fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
+                    );
+
+                    fy[p] = d2dy * (
+                        -fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] +
+                         fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
+                    );
+
+                    fz[p] = d2dz * (
+                        -fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] +
+                         fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
+                    );
+                }
+            }
+        }
+    }
+
+    // free(fh);
+}

AMSS_NCKU_source/fmisc.f90

@@ -883,13 +883,17 @@ subroutine symmetry_bd(ord,extc,func,funcc,SoA)
 
   integer::i
 
+!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
   funcc(1:extc(1),1:extc(2),1:extc(3)) = func
+!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
    do i=0,ord-1
       funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
    enddo
+!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
    do i=0,ord-1
       funcc(:,-i,1:extc(3)) = funcc(:,i+1,1:extc(3))*SoA(2)
    enddo
+!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
    do i=0,ord-1
       funcc(:,:,-i) = funcc(:,:,i+1)*SoA(3)
    enddo
@@ -1112,6 +1116,7 @@ end subroutine d2dump
 ! Lagrangian polynomial interpolation
 !------------------------------------------------------------------------------
 
+!DIR$ ATTRIBUTES FORCEINLINE :: polint
   subroutine polint(xa, ya, x, y, dy, ordn)
   implicit none
 

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/kodiss.f90

@@ -65,6 +65,8 @@ real*8,intent(in) :: eps
 !                       dx^4
 
 !  note the sign (-1)^r-1, now r=2
+!DIR$ SIMD VECTORLENGTHFOR(KNOWN_INTEGER=8)
+!DIR$ UNROLL PARTIAL(4)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)

AMSS_NCKU_source/kodiss_c.C

@@ -0,0 +1,109 @@
+#include "tool.h"
+
+/*
+ * C 版 kodis
+ *
+ * Fortran signature:
+ * subroutine kodis(ex,X,Y,Z,f,f_rhs,SoA,Symmetry,eps)
+ *
+ * 约定：
+ *   X: ex1, Y: ex2, Z: ex3
+ *   f, f_rhs: ex1*ex2*ex3 按 idx_ex 布局
+ *   SoA[3]
+ *   eps: double
+ */
+void kodis(const int ex[3],
+           const double *X, const double *Y, const double *Z,
+           const double *f, double *f_rhs,
+           const double SoA[3],
+           int Symmetry, double eps)
+{
+    const double ONE = 1.0, SIX = 6.0, FIT = 15.0, TWT = 20.0;
+    const double cof = 64.0;             // 2^6
+    const int NO_SYMM = 0, OCTANT = 2;
+
+    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
+
+    // Fortran: dX = X(2)-X(1) -> C: X[1]-X[0]
+    const double dX = X[1] - X[0];
+    const double dY = Y[1] - Y[0];
+    const double dZ = Z[1] - Z[0];
+    (void)ONE; // ONE 在原 Fortran 里只是参数，这里不一定用得上
+
+    // Fortran: imax=ex(1) 等是 1-based 上界
+    const int imaxF = ex1;
+    const int jmaxF = ex2;
+    const int kmaxF = ex3;
+
+    // Fortran: imin=jmin=kmin=1，某些对称情况变 -2
+    int iminF = 1, jminF = 1, kminF = 1;
+
+    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -2;
+    if (Symmetry == OCTANT && fabs(X[0]) < dX) iminF = -2;
+    if (Symmetry == OCTANT && fabs(Y[0]) < dY) jminF = -2;
+
+    // 分配 fh：大小 (ex1+3)*(ex2+3)*(ex3+3)，对应 ord=3
+    const size_t nx = (size_t)ex1 + 3;
+    const size_t ny = (size_t)ex2 + 3;
+    const size_t nz = (size_t)ex3 + 3;
+    const size_t fh_size = nx * ny * nz;
+
+    double *fh = (double*)malloc(fh_size * sizeof(double));
+    if (!fh) return;
+
+    // Fortran: call symmetry_bd(3,ex,f,fh,SoA)
+    symmetry_bd(3, ex, f, fh, SoA);
+
+    /*
+     * Fortran loops:
+     * do k=1,ex3
+     * do j=1,ex2
+     * do i=1,ex1
+     *
+     * C: k0=0..ex3-1, j0=0..ex2-1, i0=0..ex1-1
+     * 并定义 Fortran index: iF=i0+1, ...
+     */
+    for (int k0 = 0; k0 < ex3; ++k0) {
+        const int kF = k0 + 1;
+        for (int j0 = 0; j0 < ex2; ++j0) {
+            const int jF = j0 + 1;
+            for (int i0 = 0; i0 < ex1; ++i0) {
+                const int iF = i0 + 1;
+
+                // Fortran if 条件：
+                // i-3 >= imin .and. i+3 <= imax  等（都是 Fortran 索引）
+                if ((iF - 3) >= iminF && (iF + 3) <= imaxF &&
+                    (jF - 3) >= jminF && (jF + 3) <= jmaxF &&
+                    (kF - 3) >= kminF && (kF + 3) <= kmaxF)
+                {
+                    const size_t p = idx_ex(i0, j0, k0, ex);
+
+                    // 三个方向各一份同型的 7 点组合（实际上是对称的 6th-order dissipation/filter 核）
+                    const double Dx_term =
+                        ( (fh[idx_fh_F(iF - 3, jF, kF, ex)] + fh[idx_fh_F(iF + 3, jF, kF, ex)]) -
+                          SIX * (fh[idx_fh_F(iF - 2, jF, kF, ex)] + fh[idx_fh_F(iF + 2, jF, kF, ex)]) +
+                          FIT * (fh[idx_fh_F(iF - 1, jF, kF, ex)] + fh[idx_fh_F(iF + 1, jF, kF, ex)]) -
+                          TWT *  fh[idx_fh_F(iF    , jF, kF, ex)] ) / dX;
+
+                    const double Dy_term =
+                        ( (fh[idx_fh_F(iF, jF - 3, kF, ex)] + fh[idx_fh_F(iF, jF + 3, kF, ex)]) -
+                          SIX * (fh[idx_fh_F(iF, jF - 2, kF, ex)] + fh[idx_fh_F(iF, jF + 2, kF, ex)]) +
+                          FIT * (fh[idx_fh_F(iF, jF - 1, kF, ex)] + fh[idx_fh_F(iF, jF + 1, kF, ex)]) -
+                          TWT *  fh[idx_fh_F(iF, jF    , kF, ex)] ) / dY;
+
+                    const double Dz_term =
+                        ( (fh[idx_fh_F(iF, jF, kF - 3, ex)] + fh[idx_fh_F(iF, jF, kF + 3, ex)]) -
+                          SIX * (fh[idx_fh_F(iF, jF, kF - 2, ex)] + fh[idx_fh_F(iF, jF, kF + 2, ex)]) +
+                          FIT * (fh[idx_fh_F(iF, jF, kF - 1, ex)] + fh[idx_fh_F(iF, jF, kF + 1, ex)]) -
+                          TWT *  fh[idx_fh_F(iF, jF, kF    , ex)] ) / dZ;
+
+                    // Fortran:
+                    // f_rhs(i,j,k) = f_rhs(i,j,k) + eps/cof*(Dx_term + Dy_term + Dz_term)
+                    f_rhs[p] += (eps / cof) * (Dx_term + Dy_term + Dz_term);
+                }
+            }
+        }
+    }
+
+    free(fh);
+}

AMSS_NCKU_source/lopsided_c.C

@@ -0,0 +1,255 @@
+#include "tool.h"
+/*
+ * 你需要提供 symmetry_bd 的 C 版本（或 Fortran 绑到 C 的接口）。
+ * Fortran: call symmetry_bd(3,ex,f,fh,SoA)
+ *
+ * 约定：
+ *   nghost = 3
+ *   ex[3]  = {ex1,ex2,ex3}
+ *   f      = 原始网格 (ex1*ex2*ex3)
+ *   fh     = 扩展网格 ((ex1+3)*(ex2+3)*(ex3+3))，对应 Fortran 的 (-2:ex1, ...)
+ *   SoA[3] = 输入参数
+ */
+void lopsided(const int ex[3],
+              const double *X, const double *Y, const double *Z,
+              const double *f, double *f_rhs,
+              const double *Sfx, const double *Sfy, const double *Sfz,
+              int Symmetry, const double SoA[3])
+{
+    const double ZEO = 0.0, ONE = 1.0, F3 = 3.0;
+    const double TWO = 2.0, F6 = 6.0, F18 = 18.0;
+    const double F12 = 12.0, F10 = 10.0, EIT = 8.0;
+
+    const int NO_SYMM = 0, EQ_SYMM = 1, OCTANT = 2;
+    (void)OCTANT; // 这里和 Fortran 一样只是定义了不用也没关系
+
+    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
+
+    // 对应 Fortran: dX = X(2)-X(1)  （Fortran 1-based）
+    // C: X[1]-X[0]
+    const double dX = X[1] - X[0];
+    const double dY = Y[1] - Y[0];
+    const double dZ = Z[1] - Z[0];
+
+    const double d12dx = ONE / F12 / dX;
+    const double d12dy = ONE / F12 / dY;
+    const double d12dz = ONE / F12 / dZ;
+
+    // Fortran 里算了 d2dx/d2dy/d2dz 但本 subroutine 里没用到（保持一致也算出来）
+    const double d2dx  = ONE / TWO / dX;
+    const double d2dy  = ONE / TWO / dY;
+    const double d2dz  = ONE / TWO / dZ;
+    (void)d2dx; (void)d2dy; (void)d2dz;
+
+    // Fortran:
+    // imax = ex(1); jmax = ex(2); kmax = ex(3)
+    const int imaxF = ex1;
+    const int jmaxF = ex2;
+    const int kmaxF = ex3;
+
+    // Fortran:
+    // imin=jmin=kmin=1; 若满足对称条件则设为 -2
+    int iminF = 1, jminF = 1, kminF = 1;
+    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -2;
+    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -2;
+    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -2;
+
+    // 分配 fh：大小 (ex1+3)*(ex2+3)*(ex3+3)
+    const size_t nx = (size_t)ex1 + 3;
+    const size_t ny = (size_t)ex2 + 3;
+    const size_t nz = (size_t)ex3 + 3;
+    const size_t fh_size = nx * ny * nz;
+
+    double *fh = (double*)malloc(fh_size * sizeof(double));
+    if (!fh) return; // 内存不足：直接返回（你也可以改成 abort/报错）
+
+    // Fortran: call symmetry_bd(3,ex,f,fh,SoA)
+    symmetry_bd(3, ex, f, fh, SoA);
+
+    /*
+     * Fortran 主循环：
+     * do k=1,ex(3)-1
+     * do j=1,ex(2)-1
+     * do i=1,ex(1)-1
+     *
+     * 转成 C 0-based：
+     * k0 = 0..ex3-2, j0 = 0..ex2-2, i0 = 0..ex1-2
+     *
+     * 并且 Fortran 里的 i/j/k 在 fh 访问时，仍然是 Fortran 索引值：
+     * iF=i0+1, jF=j0+1, kF=k0+1
+     */
+    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
+        const int kF = k0 + 1;
+        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
+            const int jF = j0 + 1;
+            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
+                const int iF = i0 + 1;
+
+                const size_t p = idx_ex(i0, j0, k0, ex);
+
+                // ---------------- x direction ----------------
+                const double sfx = Sfx[p];
+                if (sfx > ZEO) {
+                    // Fortran: if(i+3 <= imax)
+                    // iF+3 <= ex1  <=> i0+4 <= ex1 <=> i0 <= ex1-4
+                    if (i0 <= ex1 - 4) {
+                        f_rhs[p] += sfx * d12dx *
+                            (-F3  * fh[idx_fh_F(iF - 1, jF, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
+                             +F18 * fh[idx_fh_F(iF + 1, jF, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF + 2, jF, kF, ex)]
+                             +      fh[idx_fh_F(iF + 3, jF, kF, ex)]);
+                    }
+                    // elseif(i+2 <= imax)  <=> i0 <= ex1-3
+                    else if (i0 <= ex1 - 3) {
+                        f_rhs[p] += sfx * d12dx *
+                            ( fh[idx_fh_F(iF - 2, jF, kF, ex)]
+                             -EIT * fh[idx_fh_F(iF - 1, jF, kF, ex)]
+                             +EIT * fh[idx_fh_F(iF + 1, jF, kF, ex)]
+                             -      fh[idx_fh_F(iF + 2, jF, kF, ex)]);
+                    }
+                    // elseif(i+1 <= imax)  <=> i0 <= ex1-2（循环里总成立）
+                    else if (i0 <= ex1 - 2) {
+                        f_rhs[p] -= sfx * d12dx *
+                            (-F3  * fh[idx_fh_F(iF + 1, jF, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
+                             +F18 * fh[idx_fh_F(iF - 1, jF, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF - 2, jF, kF, ex)]
+                             +      fh[idx_fh_F(iF - 3, jF, kF, ex)]);
+                    }
+                } else if (sfx < ZEO) {
+                    // Fortran: if(i-3 >= imin)
+                    // (iF-3) >= iminF  <=> (i0-2) >= iminF
+                    if ((i0 - 2) >= iminF) {
+                        f_rhs[p] -= sfx * d12dx *
+                            (-F3  * fh[idx_fh_F(iF + 1, jF, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
+                             +F18 * fh[idx_fh_F(iF - 1, jF, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF - 2, jF, kF, ex)]
+                             +      fh[idx_fh_F(iF - 3, jF, kF, ex)]);
+                    }
+                    // elseif(i-2 >= imin) <=> (i0-1) >= iminF
+                    else if ((i0 - 1) >= iminF) {
+                        f_rhs[p] += sfx * d12dx *
+                            ( fh[idx_fh_F(iF - 2, jF, kF, ex)]
+                             -EIT * fh[idx_fh_F(iF - 1, jF, kF, ex)]
+                             +EIT * fh[idx_fh_F(iF + 1, jF, kF, ex)]
+                             -      fh[idx_fh_F(iF + 2, jF, kF, ex)]);
+                    }
+                    // elseif(i-1 >= imin) <=> i0 >= iminF
+                    else if (i0 >= iminF) {
+                        f_rhs[p] += sfx * d12dx *
+                            (-F3  * fh[idx_fh_F(iF - 1, jF, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
+                             +F18 * fh[idx_fh_F(iF + 1, jF, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF + 2, jF, kF, ex)]
+                             +      fh[idx_fh_F(iF + 3, jF, kF, ex)]);
+                    }
+                }
+
+                // ---------------- y direction ----------------
+                const double sfy = Sfy[p];
+                if (sfy > ZEO) {
+                    // jF+3 <= ex2 <=> j0+4 <= ex2 <=> j0 <= ex2-4
+                    if (j0 <= ex2 - 4) {
+                        f_rhs[p] += sfy * d12dy *
+                            (-F3  * fh[idx_fh_F(iF, jF - 1, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
+                             +F18 * fh[idx_fh_F(iF, jF + 1, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF + 2, kF, ex)]
+                             +      fh[idx_fh_F(iF, jF + 3, kF, ex)]);
+                    } else if (j0 <= ex2 - 3) {
+                        f_rhs[p] += sfy * d12dy *
+                            ( fh[idx_fh_F(iF, jF - 2, kF, ex)]
+                             -EIT * fh[idx_fh_F(iF, jF - 1, kF, ex)]
+                             +EIT * fh[idx_fh_F(iF, jF + 1, kF, ex)]
+                             -      fh[idx_fh_F(iF, jF + 2, kF, ex)]);
+                    } else if (j0 <= ex2 - 2) {
+                        f_rhs[p] -= sfy * d12dy *
+                            (-F3  * fh[idx_fh_F(iF, jF + 1, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
+                             +F18 * fh[idx_fh_F(iF, jF - 1, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF - 2, kF, ex)]
+                             +      fh[idx_fh_F(iF, jF - 3, kF, ex)]);
+                    }
+                } else if (sfy < ZEO) {
+                    if ((j0 - 2) >= jminF) {
+                        f_rhs[p] -= sfy * d12dy *
+                            (-F3  * fh[idx_fh_F(iF, jF + 1, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
+                             +F18 * fh[idx_fh_F(iF, jF - 1, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF - 2, kF, ex)]
+                             +      fh[idx_fh_F(iF, jF - 3, kF, ex)]);
+                    } else if ((j0 - 1) >= jminF) {
+                        f_rhs[p] += sfy * d12dy *
+                            ( fh[idx_fh_F(iF, jF - 2, kF, ex)]
+                             -EIT * fh[idx_fh_F(iF, jF - 1, kF, ex)]
+                             +EIT * fh[idx_fh_F(iF, jF + 1, kF, ex)]
+                             -      fh[idx_fh_F(iF, jF + 2, kF, ex)]);
+                    } else if (j0 >= jminF) {
+                        f_rhs[p] += sfy * d12dy *
+                            (-F3  * fh[idx_fh_F(iF, jF - 1, kF, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
+                             +F18 * fh[idx_fh_F(iF, jF + 1, kF, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF + 2, kF, ex)]
+                             +      fh[idx_fh_F(iF, jF + 3, kF, ex)]);
+                    }
+                }
+
+                // ---------------- z direction ----------------
+                const double sfz = Sfz[p];
+                if (sfz > ZEO) {
+                    if (k0 <= ex3 - 4) {
+                        f_rhs[p] += sfz * d12dz *
+                            (-F3  * fh[idx_fh_F(iF, jF, kF - 1, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
+                             +F18 * fh[idx_fh_F(iF, jF, kF + 1, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF, kF + 2, ex)]
+                             +      fh[idx_fh_F(iF, jF, kF + 3, ex)]);
+                    } else if (k0 <= ex3 - 3) {
+                        f_rhs[p] += sfz * d12dz *
+                            ( fh[idx_fh_F(iF, jF, kF - 2, ex)]
+                             -EIT * fh[idx_fh_F(iF, jF, kF - 1, ex)]
+                             +EIT * fh[idx_fh_F(iF, jF, kF + 1, ex)]
+                             -      fh[idx_fh_F(iF, jF, kF + 2, ex)]);
+                    } else if (k0 <= ex3 - 2) {
+                        f_rhs[p] -= sfz * d12dz *
+                            (-F3  * fh[idx_fh_F(iF, jF, kF + 1, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
+                             +F18 * fh[idx_fh_F(iF, jF, kF - 1, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF, kF - 2, ex)]
+                             +      fh[idx_fh_F(iF, jF, kF - 3, ex)]);
+                    }
+                } else if (sfz < ZEO) {
+                    if ((k0 - 2) >= kminF) {
+                        f_rhs[p] -= sfz * d12dz *
+                            (-F3  * fh[idx_fh_F(iF, jF, kF + 1, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
+                             +F18 * fh[idx_fh_F(iF, jF, kF - 1, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF, kF - 2, ex)]
+                             +      fh[idx_fh_F(iF, jF, kF - 3, ex)]);
+                    } else if ((k0 - 1) >= kminF) {
+                        f_rhs[p] += sfz * d12dz *
+                            ( fh[idx_fh_F(iF, jF, kF - 2, ex)]
+                             -EIT * fh[idx_fh_F(iF, jF, kF - 1, ex)]
+                             +EIT * fh[idx_fh_F(iF, jF, kF + 1, ex)]
+                             -      fh[idx_fh_F(iF, jF, kF + 2, ex)]);
+                    } else if (k0 >= kminF) {
+                        f_rhs[p] += sfz * d12dz *
+                            (-F3  * fh[idx_fh_F(iF, jF, kF - 1, ex)]
+                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
+                             +F18 * fh[idx_fh_F(iF, jF, kF + 1, ex)]
+                             -F6  * fh[idx_fh_F(iF, jF, kF + 2, ex)]
+                             +      fh[idx_fh_F(iF, jF, kF + 3, ex)]);
+                    }
+                }
+            }
+        }
+    }
+    free(fh);
+}
+
+
+
+
+

AMSS_NCKU_source/lopsidediff.f90

@@ -487,6 +487,201 @@ subroutine lopsided(ex,X,Y,Z,f,f_rhs,Sfx,Sfy,Sfz,Symmetry,SoA)
 
   end subroutine lopsided
 
+!-----------------------------------------------------------------------------
+! Combined advection (lopsided) + Kreiss-Oliger dissipation (kodis)
+! Shares the symmetry_bd buffer fh, eliminating one full-grid copy per call.
+! Mathematically identical to calling lopsided then kodis separately.
+!-----------------------------------------------------------------------------
+subroutine lopsided_kodis(ex,X,Y,Z,f,f_rhs,Sfx,Sfy,Sfz,Symmetry,SoA,eps)
+  implicit none
+
+!~~~~~~> Input parameters:
+
+  integer, intent(in)  :: ex(1:3),Symmetry
+  real*8,  intent(in)  :: X(1:ex(1)),Y(1:ex(2)),Z(1:ex(3))
+  real*8,dimension(ex(1),ex(2),ex(3)),intent(in)   :: f,Sfx,Sfy,Sfz
+
+  real*8,dimension(ex(1),ex(2),ex(3)),intent(inout):: f_rhs
+  real*8,dimension(3),intent(in) ::SoA
+  real*8,intent(in) :: eps
+
+!~~~~~~> local variables:
+! note index -2,-1,0, so we have 3 extra points
+  real*8,dimension(-2:ex(1),-2:ex(2),-2:ex(3))   :: fh
+  integer :: imin,jmin,kmin,imax,jmax,kmax,i,j,k
+  real*8 :: dX,dY,dZ
+  real*8 :: d12dx,d12dy,d12dz,d2dx,d2dy,d2dz
+  real*8,  parameter :: ZEO=0.d0,ONE=1.d0, F3=3.d0
+  real*8,  parameter :: TWO=2.d0,F6=6.0d0,F18=1.8d1
+  real*8,  parameter :: F12=1.2d1, F10=1.d1,EIT=8.d0
+  integer, parameter :: NO_SYMM = 0, EQ_SYMM = 1, OCTANT = 2
+! kodis parameters
+  real*8, parameter :: SIX=6.d0,FIT=1.5d1,TWT=2.d1
+  real*8, parameter :: cof=6.4d1   ! 2^6
+
+  dX = X(2)-X(1)
+  dY = Y(2)-Y(1)
+  dZ = Z(2)-Z(1)
+
+  d12dx = ONE/F12/dX
+  d12dy = ONE/F12/dY
+  d12dz = ONE/F12/dZ
+
+  d2dx = ONE/TWO/dX
+  d2dy = ONE/TWO/dY
+  d2dz = ONE/TWO/dZ
+
+  imax = ex(1)
+  jmax = ex(2)
+  kmax = ex(3)
+
+  imin = 1
+  jmin = 1
+  kmin = 1
+  if(Symmetry > NO_SYMM .and. dabs(Z(1)) < dZ) kmin = -2
+  if(Symmetry > EQ_SYMM .and. dabs(X(1)) < dX) imin = -2
+  if(Symmetry > EQ_SYMM .and. dabs(Y(1)) < dY) jmin = -2
+
+! Single symmetry_bd call shared by both advection and dissipation
+  call symmetry_bd(3,ex,f,fh,SoA)
+
+! ---- Advection (lopsided) loop ----
+! upper bound set ex-1 only for efficiency, 
+! the loop body will set ex 0 also
+  do k=1,ex(3)-1
+  do j=1,ex(2)-1
+  do i=1,ex(1)-1
+! x direction   
+    if(Sfx(i,j,k) > ZEO)then
+      if(i+3 <= imax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                   &
+                  Sfx(i,j,k)*d12dx*(-F3*fh(i-1,j,k)-F10*fh(i,j,k)+F18*fh(i+1,j,k) &
+                                    -F6*fh(i+2,j,k)+    fh(i+3,j,k))
+     elseif(i+2 <= imax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                           &
+                  Sfx(i,j,k)*d12dx*(fh(i-2,j,k)-EIT*fh(i-1,j,k)+EIT*fh(i+1,j,k)-fh(i+2,j,k))
+
+     elseif(i+1 <= imax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)-                                                   &
+                  Sfx(i,j,k)*d12dx*(-F3*fh(i+1,j,k)-F10*fh(i,j,k)+F18*fh(i-1,j,k) &
+                                    -F6*fh(i-2,j,k)+    fh(i-3,j,k))
+     endif
+   elseif(Sfx(i,j,k) < ZEO)then
+      if(i-3 >= imin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)-                                                   &
+                  Sfx(i,j,k)*d12dx*(-F3*fh(i+1,j,k)-F10*fh(i,j,k)+F18*fh(i-1,j,k) &
+                                    -F6*fh(i-2,j,k)+    fh(i-3,j,k))
+     elseif(i-2 >= imin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                           &
+                  Sfx(i,j,k)*d12dx*(fh(i-2,j,k)-EIT*fh(i-1,j,k)+EIT*fh(i+1,j,k)-fh(i+2,j,k))
+
+     elseif(i-1 >= imin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                   &
+                  Sfx(i,j,k)*d12dx*(-F3*fh(i-1,j,k)-F10*fh(i,j,k)+F18*fh(i+1,j,k) &
+                                    -F6*fh(i+2,j,k)+    fh(i+3,j,k))
+     endif
+   endif
+
+! y direction   
+    if(Sfy(i,j,k) > ZEO)then
+      if(j+3 <= jmax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                   &
+                  Sfy(i,j,k)*d12dy*(-F3*fh(i,j-1,k)-F10*fh(i,j,k)+F18*fh(i,j+1,k) &
+                                    -F6*fh(i,j+2,k)+    fh(i,j+3,k))
+     elseif(j+2 <= jmax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                           &
+                  Sfy(i,j,k)*d12dy*(fh(i,j-2,k)-EIT*fh(i,j-1,k)+EIT*fh(i,j+1,k)-fh(i,j+2,k))
+
+     elseif(j+1 <= jmax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)-                                                   &
+                  Sfy(i,j,k)*d12dy*(-F3*fh(i,j+1,k)-F10*fh(i,j,k)+F18*fh(i,j-1,k) &
+                                    -F6*fh(i,j-2,k)+    fh(i,j-3,k))
+     endif
+   elseif(Sfy(i,j,k) < ZEO)then
+      if(j-3 >= jmin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)-                                                   &
+                  Sfy(i,j,k)*d12dy*(-F3*fh(i,j+1,k)-F10*fh(i,j,k)+F18*fh(i,j-1,k) &
+                                    -F6*fh(i,j-2,k)+    fh(i,j-3,k))
+     elseif(j-2 >= jmin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                           &
+                  Sfy(i,j,k)*d12dy*(fh(i,j-2,k)-EIT*fh(i,j-1,k)+EIT*fh(i,j+1,k)-fh(i,j+2,k))
+
+     elseif(j-1 >= jmin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                   &
+                  Sfy(i,j,k)*d12dy*(-F3*fh(i,j-1,k)-F10*fh(i,j,k)+F18*fh(i,j+1,k) &
+                                    -F6*fh(i,j+2,k)+    fh(i,j+3,k))
+     endif
+   endif
+
+! z direction   
+    if(Sfz(i,j,k) > ZEO)then
+      if(k+3 <= kmax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                   &
+                  Sfz(i,j,k)*d12dz*(-F3*fh(i,j,k-1)-F10*fh(i,j,k)+F18*fh(i,j,k+1) &
+                                    -F6*fh(i,j,k+2)+    fh(i,j,k+3))
+     elseif(k+2 <= kmax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                           &
+                  Sfz(i,j,k)*d12dz*(fh(i,j,k-2)-EIT*fh(i,j,k-1)+EIT*fh(i,j,k+1)-fh(i,j,k+2))
+
+     elseif(k+1 <= kmax)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)-                                                   &
+                  Sfz(i,j,k)*d12dz*(-F3*fh(i,j,k+1)-F10*fh(i,j,k)+F18*fh(i,j,k-1) &
+                                    -F6*fh(i,j,k-2)+    fh(i,j,k-3))
+     endif
+   elseif(Sfz(i,j,k) < ZEO)then
+      if(k-3 >= kmin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)-                                                   &
+                  Sfz(i,j,k)*d12dz*(-F3*fh(i,j,k+1)-F10*fh(i,j,k)+F18*fh(i,j,k-1) &
+                                    -F6*fh(i,j,k-2)+    fh(i,j,k-3))
+     elseif(k-2 >= kmin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                           &
+                  Sfz(i,j,k)*d12dz*(fh(i,j,k-2)-EIT*fh(i,j,k-1)+EIT*fh(i,j,k+1)-fh(i,j,k+2))
+
+     elseif(k-1 >= kmin)then
+     f_rhs(i,j,k)=f_rhs(i,j,k)+                                                   &
+                  Sfz(i,j,k)*d12dz*(-F3*fh(i,j,k-1)-F10*fh(i,j,k)+F18*fh(i,j,k+1) &
+                                    -F6*fh(i,j,k+2)+    fh(i,j,k+3))
+     endif
+   endif
+  enddo
+  enddo
+  enddo
+
+! ---- Dissipation (kodis) loop ----
+  if(eps > ZEO) then
+  do k=1,ex(3)
+  do j=1,ex(2)
+  do i=1,ex(1)
+
+  if(i-3 >= imin .and. i+3 <= imax .and. &
+     j-3 >= jmin .and. j+3 <= jmax .and. &
+     k-3 >= kmin .and. k+3 <= kmax) then
+   f_rhs(i,j,k)       = f_rhs(i,j,k) + eps/cof *( (     &
+                              (fh(i-3,j,k)+fh(i+3,j,k)) - &
+                          SIX*(fh(i-2,j,k)+fh(i+2,j,k)) + &
+                          FIT*(fh(i-1,j,k)+fh(i+1,j,k)) - &
+                          TWT* fh(i,j,k)            )/dX + &
+                                                  (     &
+                              (fh(i,j-3,k)+fh(i,j+3,k)) - &
+                          SIX*(fh(i,j-2,k)+fh(i,j+2,k)) + &
+                          FIT*(fh(i,j-1,k)+fh(i,j+1,k)) - &
+                          TWT* fh(i,j,k)            )/dY + &
+                                                  (     &
+                              (fh(i,j,k-3)+fh(i,j,k+3)) - &
+                          SIX*(fh(i,j,k-2)+fh(i,j,k+2)) + &
+                          FIT*(fh(i,j,k-1)+fh(i,j,k+1)) - &
+                          TWT* fh(i,j,k)            )/dZ )
+  endif
+
+  enddo
+  enddo
+  enddo
+  endif
+
+  return
+
+  end subroutine lopsided_kodis
+
 #elif (ghost_width == 4)
 ! sixth order code
 ! Compute advection terms in right hand sides of field equations

AMSS_NCKU_source/macrodef.fh

@@ -1,83 +1,77 @@
-
+
-
+#define tetradtype 2
-#if 0
+
-note here
+#define Cell
-v:r; u: phi; w: theta
+
-tetradtype 0
+#define ghost_width 3
-v^a = (x,y,z)
+
-orthonormal order: v,u,w
+
-m = (phi - i theta)/sqrt(2) following Frans, Eq.(8) of  PRD 75, 124018(2007)
+
-tetradtype 1
+#define GAUGE 0
-orthonormal order: w,u,v
+
-m = (theta + i phi)/sqrt(2) following Sperhake, Eq.(3.2) of  PRD 85, 124062(2012)
+#define CPBC_ghost_width  (ghost_width)
-tetradtype 2
+
-v_a = (x,y,z)
+#define ABV 0
-orthonormal order: v,u,w
+
-m = (phi - i theta)/sqrt(2) following Frans, Eq.(8) of  PRD 75, 124018(2007)
+#define EScalar_CC 2
-#endif
+
-#define tetradtype 2
+#if 0
-
+
-#if 0
+define tetradtype
-note here
+    v:r; u: phi; w: theta
-Cell center or Vertex center
+    tetradtype 0
-#endif
+    v^a = (x,y,z)
-#define Cell
+    orthonormal order: v,u,w
-
+    m = (phi - i theta)/sqrt(2) following Frans, Eq.(8) of  PRD 75, 124018(2007)
-#if 0
+    tetradtype 1
-note here
+    orthonormal order: w,u,v
-2nd order: 2
+    m = (theta + i phi)/sqrt(2) following Sperhake, Eq.(3.2) of  PRD 85, 124062(2012)
-4th order: 3
+    tetradtype 2
-6th order: 4
+    v_a = (x,y,z)
-8th order: 5
+    orthonormal order: v,u,w
-#endif
+    m = (phi - i theta)/sqrt(2) following Frans, Eq.(8) of  PRD 75, 124018(2007)
-#define ghost_width 3
+
-
+define Cell or Vertex
-#if 0
+    Cell center or Vertex center
-note here
+
-use shell or not
+define ghost_width
-#endif
+    2nd order: 2
-#define WithShell
+    4th order: 3
-
+    6th order: 4
-#if 0
+    8th order: 5
-note here
+
-use constraint preserving boundary condition or not
+define WithShell
-only affect Z4c
+    use shell or not
-#endif
+
-#define CPBC
+define CPBC
-
+    use constraint preserving boundary condition or not
-#if 0
+    only affect Z4c
-note here
+    CPBC only supports WithShell
-Gauge condition type
+
-0: B^i gauge
+define GAUGE
-1: David's puncture gauge
+    0: B^i gauge
-2: MB B^i gauge
+    1: David puncture gauge
-3: RIT B^i gauge
+    2: MB B^i gauge
-4: MB beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
+    3: RIT B^i gauge
-5: RIT beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
+    4: MB beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
-6: MGB1 B^i gauge
+    5: RIT beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
-7: MGB2 B^i gauge
+    6: MGB1 B^i gauge
-#endif
+    7: MGB2 B^i gauge
-#define GAUGE 2
+
-
+define CPBC_ghost_width  (ghost_width)
-#if 0
+    buffer points for CPBC boundary
-buffer points for CPBC boundary
+
-#endif
+define ABV
-#define CPBC_ghost_width  (ghost_width)
+    0: using BSSN variable for constraint violation and psi4 calculation
-
+    1: using ADM variable for constraint violation and psi4 calculation
-#if 0
+
-using BSSN variable for constraint violation and psi4 calculation: 0
+define EScalar_CC
-using ADM variable for constraint violation and psi4 calculation: 1
+Type of Potential and Scalar Distribution in F(R) Scalar-Tensor Theory
-#endif
+    1: Case C of 1112.3928, V=0
-#define ABV 0
+    2: shell with   phi(r) = phi0 * a2^2/(1+a2^2), f(R) = R+a2*R^2 induced V
-
+    3: ground state of Schrodinger-Newton system,  f(R) = R+a2*R^2 induced V
-#if 0
+    4: a2 = +oo and phi(r) = phi0 * 0.5 * ( tanh((r+r0)/sigma) - tanh((r-r0)/sigma) )
-Type of Potential and Scalar Distribution in F(R) Scalar-Tensor Theory
+    5: shell with   phi(r) = phi0 * Exp(-(r-r0)**2/sigma), V = 0
-1: Case C of 1112.3928, V=0
+
-2: shell with a2^2*phi0/(1+a2^2), f(R) = R+a2*R^2 induced V
+#endif
-3: ground state of Schrodinger-Newton system, f(R) = R+a2*R^2 induced V
+
-4: a2 = oo and phi(r) = phi0 * 0.5 * ( tanh((r+r0)/sigma) - tanh((r-r0)/sigma) )
-5: shell with phi(r) = phi0*Exp(-(r-r0)**2/sigma), V = 0
-#endif
-#define EScalar_CC 2
-
-

AMSS_NCKU_source/macrodef.h

@@ -1,112 +1,145 @@
-
+
-#ifndef MICRODEF_H
+#ifndef MICRODEF_H
-#define MICRODEF_H
+#define MICRODEF_H
-
+
-#include "macrodef.fh"
+#include "macrodef.fh"  
-
+
-// application parameters
+// application parameters
-
+
-/// ****
+#define SommerType 0
-// sommerfeld boundary type
+
-// 0: bam, 1: shibata
+#define GaussInt
-#define SommerType 0
+
-
+#define ABEtype 0
-/// ****
+
-// for Using Gauss-Legendre quadrature in theta direction
+//#define With_AHF
-#define GaussInt
+#define Psi4type 0
-
+
-/// ****
+//#define Point_Psi4
-// 0: BSSN vacuum
+
-// 1: coupled to scalar field
+#define RPS 1
-// 2: Z4c vacuum
+
-// 3: coupled to Maxwell field
+#define AGM 0
-//
+
-#define ABEtype 2
+#define RPB 0
-
+
-/// ****
+#define MAPBH 1
-// using Apparent Horizon Finder
+
-//#define With_AHF
+#define PSTR 0
-
+
-/// ****
+#define REGLEV 0
-// Psi4 calculation method
+
-// 0: EB method
+//#define USE_GPU
-// 1: 4-D method
+
-//
+//#define CHECKDETAIL
-#define Psi4type 0
+
-
+//#define FAKECHECK
-/// ****
+
-// for Using point psi4 or not
+//
-//#define Point_Psi4
+// define SommerType
-
+//     sommerfeld boundary type
-/// ****
+//     0: bam
-// RestrictProlong in Step (0) or after Step (1)
+//     1: shibata
-#define RPS 1
+//
-
+// define GaussInt
-/// ****
+//     for Using Gauss-Legendre quadrature in theta direction
-// Enforce algebra constraint
+//
-// for every RK4 sub step: 0
+// define ABEtype
-// only when iter_count == 3: 1
+//     0: BSSN vacuum
-// after routine Step: 2
+//     1: coupled to scalar field
-#define AGM 0
+//     2: Z4c vacuum
-
+//     3: coupled to Maxwell field
-/// ****
+//
-// Restrict Prolong using BAM style 1 or old style 0
+// define With_AHF
-#define RPB 0
+//     using Apparent Horizon Finder
-
+//
-/// ****
+// define Psi4type
-// 1: move Analysis out ot 4 sub steps and treat PBH with Euler method
+//     Psi4 calculation method
-#define MAPBH 1
+//     0: EB method
-
+//     1: 4-D method
-/// ****
+//
-// parallel structure, 0: level by level, 1: considering all levels, 2: as 1 but reverse the CPU order, 3: Frank's scheme
+// define Point_Psi4
-#define PSTR 0
+//     for Using point psi4 or not
-
+//
-/// ****
+// define RPS
-// regrid for every level or for all levels at a time
+//     RestrictProlong in Step (0) or after Step (1)
-// 0: for every level; 1: for all
+//
-#define REGLEV 0
+// define AGM
-
+//     Enforce algebra constraint
-/// ****
+//     for every RK4 sub step: 0
-// use gpu or not
+//     only when iter_count == 3: 1
-//#define USE_GPU
+//     after routine Step: 2
-
+//
-/// ****
+// define RPB
-// use checkpoint for every process
+//     Restrict Prolong using BAM style 1 or old style 0
-//#define CHECKDETAIL
+//
-
+// define MAPBH
-/// ****
+//     1: move Analysis out ot 4 sub steps and treat PBH with Euler method
-// use FakeCheckPrepare to write CheckPoint
+//
-//#define FAKECHECK
+// define PSTR
-////================================================================
+//     parallel structure
-//  some basic parameters for numerical calculation
+//     0: level by level
-#define dim 3
+//     1: considering all levels
-
+//     2: as 1 but reverse the CPU order
-//#define Cell or Vertex in "microdef.fh"
+//     3: Frank's scheme
-
+//
-// ******
+// define REGLEV
-// buffer point number for mesh refinement interface
+//     regrid for every level or for all levels at a time
-#define buffer_width 6
+//     0: for every level;
-
+//     1: for all
-// ******
+//
-// buffer point number shell-box interface, on shell
+// define USE_GPU
-#define SC_width buffer_width
+//     use gpu or not
-// buffer point number shell-box interface, on box
+//
-#define CS_width (2*buffer_width)
+// define CHECKDETAIL
-
+//     use checkpoint for every process
-#if(buffer_width < ghost_width)
+//
-#error we always assume buffer_width>ghost_width
+// define FAKECHECK
-#endif
+//     use FakeCheckPrepare to write CheckPoint
-
+//
-#define PACK 1
+
-#define UNPACK 2
+////================================================================
-
+//  some basic parameters for numerical calculation
-#define Mymax(a,b) (((a) > (b)) ? (a) : (b))
+////================================================================
-#define Mymin(a,b) (((a) < (b)) ? (a) : (b))
+
-
+#define dim 3
-#define feq(a,b,d) (fabs(a-b)<d)
+
-#define flt(a,b,d) ((a-b)<d)
+//#define Cell or Vertex in "macrodef.fh" 
-#define fgt(a,b,d) ((a-b)>d)
+
-
+#define buffer_width 6
-#define TINY 1e-10
+
-
+#define SC_width buffer_width
-#endif   /* MICRODEF_H */
+
+#define CS_width (2*buffer_width)
+
+//
+// define Cell or Vertex in "macrodef.fh" 
+//
+// define buffer_width
+//     buffer point number for mesh refinement interface
+//
+// define SC_width buffer_width
+//     buffer point number shell-box interface, on shell
+//
+// define CS_width
+//     buffer point number shell-box interface, on box
+//
+
+#if(buffer_width < ghost_width)
+#   error we always assume buffer_width>ghost_width
+#endif
+
+#define PACK 1
+#define UNPACK 2
+
+#define Mymax(a,b) (((a) > (b)) ? (a) : (b))
+#define Mymin(a,b) (((a) < (b)) ? (a) : (b))
+
+#define feq(a,b,d) (fabs(a-b)<d)
+#define flt(a,b,d) ((a-b)<d)
+#define fgt(a,b,d) ((a-b)>d)
+
+#define TINY 1e-10
+
+#endif   /* MICRODEF_H */
+

AMSS_NCKU_source/makefile

@@ -2,6 +2,27 @@
 
 include makefile.inc
 
+## ABE build flags selected by PGO_MODE (set in makefile.inc, default: opt)
+##   make                        -> opt  (PGO-guided, maximum performance)
+##   make PGO_MODE=instrument    -> instrument (Phase 1: collect fresh profile data)
+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 $(INTERP_LB_FLAGS)
+f90appflags = -O3 -xHost -fma -fprofile-instr-generate -ipo \
+              -align array64byte -fpp -I${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 $(INTERP_LB_FLAGS)
+f90appflags = -O3 -xHost -fp-model fast=2 -fma -ipo \
+              -fprofile-instr-use=$(PROFDATA) \
+              -align array64byte -fpp -I${MKLROOT}/include
+endif
+
 .SUFFIXES: .o .f90 .C .for .cu
 
 .f90.o:
@@ -16,13 +37,54 @@ include makefile.inc
 .cu.o:
 	$(Cu) $(CUDA_APP_FLAGS) -c $< -o $@ $(CUDA_LIB_PATH)
 
+# C rewrite of BSSN RHS kernel and helpers
+bssn_rhs_c.o: bssn_rhs_c.C
+	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
+
+fderivs_c.o: fderivs_c.C
+	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
+
+fdderivs_c.o: fdderivs_c.C
+	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
+
+kodiss_c.o: kodiss_c.C
+	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
+
+lopsided_c.o: lopsided_c.C
+	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
+
+interp_lb_profile.o: interp_lb_profile.C interp_lb_profile.h
+	${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 $@
+
+TwoPunctureABE.o: TwoPunctureABE.C
+	${CXX} $(TP_OPTFLAGS) -qopenmp -c $< -o $@
+
 # Input files
+
+## Kernel implementation switch (set USE_CXX_KERNELS=0 to fall back to Fortran)
+ifeq ($(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\
@@ -32,9 +94,9 @@ 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 bssn_rhs.o diff_new.o kodiss.o kodiss_sh.o\
+	   rungekutta4_rout.o diff_new.o kodiss.o kodiss_sh.o\
 	   lopsidediff.o sommerfeld_rout.o getnp4.o diff_new_sh.o\
 	   shellfunctions.o bssn_rhs_ss.o Set_Rho_ADM.o\
            getnp4EScalar.o bssnEScalar_rhs.o bssn_constraint.o ricci_gamma.o\
@@ -45,6 +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 \
@@ -57,7 +127,7 @@ TwoPunctureFILES = TwoPunctureABE.o TwoPunctures.o
 CUDAFILES = bssn_gpu.o bssn_gpu_rhs_ss.o
 
 # file dependences
-$(C++FILES) $(C++FILESGPU) $(F90FILES) $(AHFDOBJS) $(CUDAFILES): macrodef.fh
+$(C++FILES) $(C++FILES_GPU) $(F90FILES) $(CFILES) $(AHFDOBJS) $(CUDAFILES): macrodef.fh
 
 $(C++FILES): Block.h enforce_algebra.h fmisc.h initial_puncture.h macrodef.h\
 	     misc.h monitor.h MyList.h Parallel.h MPatch.h prolongrestrict.h\
@@ -80,7 +150,7 @@ $(C++FILES_GPU): Block.h enforce_algebra.h fmisc.h initial_puncture.h macrodef.h
              
 $(AHFDOBJS): cctk.h cctk_Config.h cctk_Types.h cctk_Constants.h myglobal.h
 
-$(C++FILES) $(C++FILES_GPU) $(AHFDOBJS) $(CUDAFILES): macrodef.h
+$(C++FILES) $(C++FILES_GPU) $(CFILES) $(AHFDOBJS) $(CUDAFILES): macrodef.h
 
 TwoPunctureFILES: TwoPunctures.h
 
@@ -89,14 +159,14 @@ $(CUDAFILES): bssn_gpu.h gpu_mem.h gpu_rhsSS_mem.h
 misc.o : zbesh.o
 
 # projects
-ABE: $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) 
+ABE: $(C++FILES) $(CFILES) $(F90FILES) $(F77FILES) $(AHFDOBJS)
-	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(LDLIBS)
+	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES) $(CFILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(LDLIBS)
 	
-ABEGPU: $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES)
+ABEGPU: $(C++FILES_GPU) $(CFILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES)
-	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES) $(LDLIBS)
+	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES_GPU) $(CFILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES) $(LDLIBS)
 
 TwoPunctureABE: $(TwoPunctureFILES)
-	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(TwoPunctureFILES) $(LDLIBS)
+	$(CLINKER) $(TP_OPTFLAGS) -qopenmp -o $@ $(TwoPunctureFILES) $(LDLIBS)
 
 clean:
 	rm *.o ABE ABEGPU TwoPunctureABE make.log -f

AMSS_NCKU_source/makefile.inc

@@ -8,18 +8,31 @@ filein  = -I/usr/include/ -I${MKLROOT}/include
 
 ## Using sequential MKL (OpenMP disabled for better single-threaded performance)
 ## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
-LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl
+LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl -liomp5
 
-## Aggressive optimization flags:
+## PGO build mode switch (ABE only; TwoPunctureABE always uses opt flags)
-## -O3: Maximum optimization
+##   opt        : (default) maximum performance with PGO profile-guided optimization
-## -xHost: Optimize for the host CPU architecture (Intel/AMD compatible)
+##   instrument : PGO Phase 1 instrumentation to collect fresh profile data
-## -fp-model fast=2: Aggressive floating-point optimizations
+PGO_MODE ?= opt
-## -fma: Enable fused multiply-add instructions
+
-## Note: OpenMP has been disabled (-qopenmp removed) due to performance issues
+## Interp_Points load balance profiling mode
-CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma -ipo \
+##   off        : (default) no load balance instrumentation
-               -Dfortran3 -Dnewc -I${MKLROOT}/include
+##   profile    : Pass 1 — instrument Interp_Points to collect timing profile
-f90appflags  = -O3 -xHost -fp-model fast=2 -fma -ipo \
+##   optimize   : Pass 2 — read profile and apply block rebalancing
-               -align array64byte -fpp -I${MKLROOT}/include
+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

AMSS_NCKU_source/share_func.h

@@ -0,0 +1,146 @@
+#ifndef SHARE_FUNC_H
+#define SHARE_FUNC_H
+
+#include <stdlib.h>
+#include <stddef.h>
+#include <math.h>
+#include <stdio.h>
+/* 主网格：0-based -> 1D */
+static inline size_t idx_ex(int i0, int j0, int k0, const int ex[3]) {
+    const int ex1 = ex[0], ex2 = ex[1];
+    return (size_t)i0 + (size_t)j0 * (size_t)ex1 + (size_t)k0 * (size_t)ex1 * (size_t)ex2;
+}
+
+/*
+ * fh 对应 Fortran: fh(-1:ex1, -1:ex2, -1:ex3)
+ * ord=2 => shift=1
+ * iF/jF/kF 为 Fortran 索引（可为 -1,0,1..ex）
+ */
+static inline size_t idx_fh_F_ord2(int iF, int jF, int kF, const int ex[3]) {
+    const int shift = 1;
+    const int nx = ex[0] + 2;      // ex1 + ord
+    const int ny = ex[1] + 2;
+
+    const int ii = iF + shift;     // 0..ex1+1
+    const int jj = jF + shift;     // 0..ex2+1
+    const int kk = kF + shift;     // 0..ex3+1
+
+    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
+}
+
+/*
+ * fh 对应 Fortran: fh(-2:ex1, -2:ex2, -2:ex3)
+ * ord=3 => shift=2
+ * iF/jF/kF 是 Fortran 索引（可为负）
+ */
+static inline size_t idx_fh_F(int iF, int jF, int kF, const int ex[3]) {
+    const int shift = 2;                 // ord=3 -> -2..ex
+    const int nx = ex[0] + 3;            // ex1 + ord
+    const int ny = ex[1] + 3;
+
+    const int ii = iF + shift;           // 0..ex1+2
+    const int jj = jF + shift;           // 0..ex2+2
+    const int kk = kF + shift;           // 0..ex3+2
+
+    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
+}
+
+/*
+ * func:  (1..extc1, 1..extc2, 1..extc3)   1-based in Fortran
+ * funcc: (-ord+1..extc1, -ord+1..extc2, -ord+1..extc3) in Fortran
+ *
+ * C 里我们把：
+ *   func  视为 0-based: i0=0..extc1-1, j0=0..extc2-1, k0=0..extc3-1
+ *   funcc 用“平移下标”存为一维数组：
+ *     iF in [-ord+1..extc1]  -> ii = iF + (ord-1)  in [0..extc1+ord-1]
+ *     总长度 nx = extc1 + ord
+ *     同理 ny = extc2 + ord, nz = extc3 + ord
+ */
+
+static inline size_t idx_func0(int i0, int j0, int k0, const int extc[3]) {
+    const int nx = extc[0], ny = extc[1];
+    return (size_t)i0 + (size_t)j0 * (size_t)nx + (size_t)k0 * (size_t)nx * (size_t)ny;
+}
+
+static inline size_t idx_funcc_F(int iF, int jF, int kF, int ord, const int extc[3]) {
+    const int shift = ord - 1;          // iF = -shift .. extc1
+    const int nx = extc[0] + ord;       // [-shift..extc1] 共 extc1+ord 个
+    const int ny = extc[1] + ord;
+
+    const int ii = iF + shift;          // 0..extc1+shift
+    const int jj = jF + shift;          // 0..extc2+shift
+    const int kk = kF + shift;          // 0..extc3+shift
+
+    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
+}
+
+/*
+ * 等价于 Fortran:
+ * funcc(1:extc1,1:extc2,1:extc3)=func
+ * do i=0,ord-1
+ *   funcc(-i,1:extc2,1:extc3) = funcc(i+1,1:extc2,1:extc3)*SoA(1)
+ * enddo
+ * do i=0,ord-1
+ *   funcc(:,-i,1:extc3) = funcc(:,i+1,1:extc3)*SoA(2)
+ * enddo
+ * do i=0,ord-1
+ *   funcc(:,:,-i) = funcc(:,:,i+1)*SoA(3)
+ * enddo
+ */
+static inline void symmetry_bd(int ord,
+                 const int extc[3],
+                 const double *func,
+                 double *funcc,
+                 const double SoA[3])
+{
+    const int extc1 = extc[0], extc2 = extc[1], extc3 = extc[2];
+
+    // 1) funcc(1:extc1,1:extc2,1:extc3) = func
+    // Fortran 的 (iF=1..extc1) 对应 C 的 func(i0=0..extc1-1)
+    for (int k0 = 0; k0 < extc3; ++k0) {
+        for (int j0 = 0; j0 < extc2; ++j0) {
+            for (int i0 = 0; i0 < extc1; ++i0) {
+                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1;
+                funcc[idx_funcc_F(iF, jF, kF, ord, extc)] = func[idx_func0(i0, j0, k0, extc)];
+            }
+        }
+    }
+
+    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
+    for (int ii = 0; ii <= ord - 1; ++ii) {
+        const int iF_dst = -ii;       // 0, -1, -2, ...
+        const int iF_src = ii + 1;    // 1, 2, 3, ...
+        for (int kF = 1; kF <= extc3; ++kF) {
+            for (int jF = 1; jF <= extc2; ++jF) {
+                funcc[idx_funcc_F(iF_dst, jF, kF, ord, extc)] =
+                    funcc[idx_funcc_F(iF_src, jF, kF, ord, extc)] * SoA[0];
+            }
+        }
+    }
+
+    // 3) do i=0..ord-1: funcc(:,-i, 1:extc3) = funcc(:, i+1, 1:extc3)*SoA(2)
+    // 注意 Fortran 这里的 ":" 表示 iF 从 (-ord+1..extc1) 全覆盖
+    for (int jj = 0; jj <= ord - 1; ++jj) {
+        const int jF_dst = -jj;
+        const int jF_src = jj + 1;
+        for (int kF = 1; kF <= extc3; ++kF) {
+            for (int iF = -ord + 1; iF <= extc1; ++iF) {
+                funcc[idx_funcc_F(iF, jF_dst, kF, ord, extc)] =
+                    funcc[idx_funcc_F(iF, jF_src, kF, ord, extc)] * SoA[1];
+            }
+        }
+    }
+
+    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
+    for (int kk = 0; kk <= ord - 1; ++kk) {
+        const int kF_dst = -kk;
+        const int kF_src = kk + 1;
+        for (int jF = -ord + 1; jF <= extc2; ++jF) {
+            for (int iF = -ord + 1; iF <= extc1; ++iF) {
+                funcc[idx_funcc_F(iF, jF, kF_dst, ord, extc)] =
+                    funcc[idx_funcc_F(iF, jF, kF_src, ord, extc)] * SoA[2];
+            }
+        }
+    }
+}
+#endif

AMSS_NCKU_source/surface_integral.C

@@ -220,16 +220,9 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
     pox[2][n] = rex * nz_g[n];
   }
 
-  double *shellf;
-  shellf = new double[n_tot * InList];
-
-  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry);
-
   int mp, Lp, Nmin, Nmax;
-
   mp = n_tot / cpusize;
   Lp = n_tot - cpusize * mp;
-
   if (Lp > myrank)
   {
     Nmin = myrank * mp + myrank;
@@ -241,6 +234,11 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
     Nmax = Nmin + mp - 1;
   }
 
+  double *shellf;
+  shellf = new double[n_tot * InList];
+
+  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry, Nmin, Nmax);
+
   //|~~~~~> Integrate the dot product of Dphi with the surface normal.
 
   double *RP_out, *IP_out;
@@ -363,8 +361,17 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -556,8 +563,17 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, Comm_here);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, Comm_here);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, Comm_here);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -735,8 +751,17 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH, var *Rpsi4
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -984,8 +1009,17 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -1419,8 +1453,17 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -1854,8 +1897,17 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -2040,8 +2092,17 @@ void surface_integral::surf_Wave(double rex, int lev, NullShellPatch2 *GH, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -2226,8 +2287,17 @@ void surface_integral::surf_Wave(double rex, int lev, NullShellPatch *GH, var *R
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 
@@ -2314,25 +2384,9 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     pox[2][n] = rex * nz_g[n];
   }
 
-  double *shellf;
-  shellf = new double[n_tot * InList];
-
-  // we have assumed there is only one box on this level,
-  // so we do not need loop boxes
-  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry);
-
-  double Mass_out = 0;
-  double ang_outx, ang_outy, ang_outz;
-  double p_outx, p_outy, p_outz;
-  ang_outx = ang_outy = ang_outz = 0.0;
-  p_outx = p_outy = p_outz = 0.0;
-  const double f1o8 = 0.125;
-
   int mp, Lp, Nmin, Nmax;
-
   mp = n_tot / cpusize;
   Lp = n_tot - cpusize * mp;
-
   if (Lp > myrank)
   {
     Nmin = myrank * mp + myrank;
@@ -2344,6 +2398,20 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     Nmax = Nmin + mp - 1;
   }
 
+  double *shellf;
+  shellf = new double[n_tot * InList];
+
+  // we have assumed there is only one box on this level,
+  // so we do not need loop boxes
+  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry, Nmin, Nmax);
+
+  double Mass_out = 0;
+  double ang_outx, ang_outy, ang_outz;
+  double p_outx, p_outy, p_outz;
+  ang_outx = ang_outy = ang_outz = 0.0;
+  p_outx = p_outy = p_outz = 0.0;
+  const double f1o8 = 0.125;
+
   double Chi, Psi;
   double Gxx, Gxy, Gxz, Gyy, Gyz, Gzz;
   double gupxx, gupxy, gupxz, gupyy, gupyz, gupzz;
@@ -2464,15 +2532,13 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     }
   }
 
-  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-
+    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
-  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double scalar_in[7];
-  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
-
+    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
-  MPI_Allreduce(&p_outx, &px, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  }
-  MPI_Allreduce(&p_outy, &py, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-  MPI_Allreduce(&p_outz, &pz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
 #ifdef GaussInt
   mass = mass * rex * rex * dphi * factor;
@@ -2735,15 +2801,13 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     }
   }
 
-  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+  {
-
+    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
-  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+    double scalar_in[7];
-  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, Comm_here);
-  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
-
+    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
-  MPI_Allreduce(&p_outx, &px, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+  }
-  MPI_Allreduce(&p_outy, &py, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
-  MPI_Allreduce(&p_outz, &pz, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
 
 #ifdef GaussInt
   mass = mass * rex * rex * dphi * factor;
@@ -3020,15 +3084,13 @@ void surface_integral::surf_MassPAng(double rex, int lev, ShellPatch *GH, var *c
     }
   }
 
-  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-
+    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
-  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double scalar_in[7];
-  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
-
+    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
-  MPI_Allreduce(&p_outx, &px, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  }
-  MPI_Allreduce(&p_outy, &py, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-  MPI_Allreduce(&p_outz, &pz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
 #ifdef GaussInt
   mass = mass * rex * rex * dphi * factor;
@@ -3607,8 +3669,17 @@ void surface_integral::surf_Wave(double rex, cgh *GH, ShellPatch *SH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  {
-  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    double *RPIP_out = new double[2 * NN];
+    double *RPIP = new double[2 * NN];
+    memcpy(RPIP_out, RP_out, NN * sizeof(double));
+    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
+    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+    memcpy(RP, RPIP, NN * sizeof(double));
+    memcpy(IP, RPIP + NN, NN * sizeof(double));
+    delete[] RPIP_out;
+    delete[] RPIP;
+  }
 
   //|------= Free memory.
 

AMSS_NCKU_source/tool.h

@@ -0,0 +1,27 @@
+#include "share_func.h"
+void fdderivs(const int ex[3],
+              const double *f,
+              double *fxx, double *fxy, double *fxz,
+              double *fyy, double *fyz, double *fzz,
+              const double *X, const double *Y, const double *Z,
+              double SYM1, double SYM2, double SYM3,
+              int Symmetry, int onoff);
+
+void fderivs(const int ex[3],
+             const double *f,
+             double *fx, double *fy, double *fz,
+             const double *X, const double *Y, const double *Z,
+             double SYM1, double SYM2, double SYM3,
+             int Symmetry, int onoff);
+
+void kodis(const int ex[3],
+           const double *X, const double *Y, const double *Z,
+           const double *f, double *f_rhs,
+           const double SoA[3],
+           int Symmetry, double eps);
+
+void lopsided(const int ex[3],
+              const double *X, const double *Y, const double *Z,
+              const double *f, double *f_rhs,
+              const double *Sfx, const double *Sfy, const double *Sfz,
+              int Symmetry, const double SoA[3]);

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

@@ -10,17 +10,47 @@
 
 import AMSS_NCKU_Input as input_data
 import subprocess
+import time
 
-## CPU core binding configuration using taskset
-## taskset ensures all child processes inherit the CPU affinity mask
-## This forces make and all compiler processes to use only nohz_full cores (4-55, 60-111)
-## Format: taskset -c 4-55,60-111 ensures processes only run on these cores
-NUMACTL_CPU_BIND = "taskset -c 0-111"
 
-## Build parallelism configuration
+def get_last_n_cores_per_socket(n=32):
-## Use nohz_full cores (4-55, 60-111) for compilation: 52 + 52 = 104 cores
+    """
-## Set make -j to utilize available cores for faster builds
+    Read CPU topology via lscpu and return a taskset -c string
-BUILD_JOBS = 104
+    selecting the last `n` cores of each NUMA node (socket).
+
+    Example: 2 sockets x 56 cores each, n=32 -> node0: 24-55, node1: 80-111
+    -> "taskset -c 24-55,80-111"
+    """
+    result = subprocess.run(["lscpu", "--parse=NODE,CPU"], capture_output=True, text=True)
+
+    # Build a dict: node_id -> sorted list of CPU ids
+    node_cpus = {}
+    for line in result.stdout.splitlines():
+        if line.startswith("#") or not line.strip():
+            continue
+        parts = line.split(",")
+        if len(parts) < 2:
+            continue
+        node_id, cpu_id = int(parts[0]), int(parts[1])
+        node_cpus.setdefault(node_id, []).append(cpu_id)
+
+    segments = []
+    for node_id in sorted(node_cpus):
+        cpus = sorted(node_cpus[node_id])
+        selected = cpus[-n:]          # last n cores of this socket
+        segments.append(f"{selected[0]}-{selected[-1]}")
+
+    cpu_str = ",".join(segments)
+    total = len(segments) * n
+    print(f" CPU binding: taskset -c {cpu_str}  ({total} cores, last {n} per socket)")
+    return f"taskset -c {cpu_str}"
+
+
+## CPU core binding: dynamically select the last 32 cores of each socket (64 cores total)
+NUMACTL_CPU_BIND = get_last_n_cores_per_socket(n=32)
+
+## Build parallelism: match the number of bound cores
+BUILD_JOBS = 64
 
 
 ##################################################################
@@ -39,7 +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:
@@ -117,6 +147,7 @@ def run_ABE():
     
     if (input_data.GPU_Calculation == "no"):
         mpi_command         = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
+        #mpi_command         = " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
         mpi_command_outfile = "ABE_out.log"
     elif (input_data.GPU_Calculation == "yes"):
         mpi_command         = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
@@ -152,13 +183,14 @@ def run_ABE():
 ## Run the AMSS-NCKU TwoPuncture program TwoPunctureABE
 
 def run_TwoPunctureABE():
-
+    tp_time1=time.time()
     print(                                                          )
     print( " Running the AMSS-NCKU executable file TwoPunctureABE " ) 
     print(                                                          )
     
     ## Define the command to run
-    TwoPuncture_command         = NUMACTL_CPU_BIND + " ./TwoPunctureABE"
+    #TwoPuncture_command         = NUMACTL_CPU_BIND + " ./TwoPunctureABE"
+    TwoPuncture_command         = " ./TwoPunctureABE"
     TwoPuncture_command_outfile = "TwoPunctureABE_out.log"
 
     ## Execute the command with subprocess.Popen and stream output
@@ -179,7 +211,9 @@ def run_TwoPunctureABE():
     print(                                               )
     print( " The TwoPunctureABE simulation is finished " ) 
     print(                                               )
-    
+    tp_time2=time.time()
+    et=tp_time2-tp_time1
+    print(f"Used time: {et}")
     return
 
 ##################################################################

parallel_plot_helper.py

@@ -0,0 +1,29 @@
+import multiprocessing
+
+def run_plot_task(task):
+    """Execute a single plotting task.
+    
+    Parameters
+    ----------
+    task : tuple
+        A tuple of (function, args_tuple) where function is a callable
+        plotting function and args_tuple contains its arguments.
+    """
+    func, args = task
+    return func(*args)
+
+
+def run_plot_tasks_parallel(plot_tasks):
+    """Execute a list of independent plotting tasks in parallel.
+
+    Uses the 'fork' context to create worker processes so that the main
+    script is NOT re-imported/re-executed in child processes.
+
+    Parameters
+    ----------
+    plot_tasks : list of tuples
+        Each element is (function, args_tuple).
+    """
+    ctx = multiprocessing.get_context('fork')
+    with ctx.Pool() as pool:
+        pool.map(run_plot_task, plot_tasks)

pgo_profile/PGO_Profile_Analysis.md

@@ -0,0 +1,97 @@
+# AMSS-NCKU PGO Profile Analysis Report
+
+## 1. Profiling Environment
+
+| Item | Value |
+|------|-------|
+| Compiler | Intel oneAPI DPC++/C++ 2025.3.0 (icpx/ifx) |
+| Instrumentation Flag | `-fprofile-instr-generate` |
+| Optimization Level (instrumented) | `-O2 -xHost -fma` |
+| MPI Processes | 1 (single process to avoid MPI+instrumentation deadlock) |
+| Profile File | `default_9725750769337483397_0.profraw` (327 KB) |
+| Merged Profile | `default.profdata` (394 KB) |
+| llvm-profdata | `/home/intel/oneapi/compiler/2025.3/bin/compiler/llvm-profdata` |
+
+## 2. Reduced Simulation Parameters (for profiling run)
+
+| Parameter | Production Value | Profiling Value |
+|-----------|-----------------|-----------------|
+| MPI_processes | 64 | 1 |
+| grid_level | 9 | 4 |
+| static_grid_level | 5 | 3 |
+| static_grid_number | 96 | 24 |
+| moving_grid_number | 48 | 16 |
+| largest_box_xyz_max | 320^3 | 160^3 |
+| Final_Evolution_Time | 1000.0 | 10.0 |
+| Evolution_Step_Number | 10,000,000 | 1,000 |
+| Detector_Number | 12 | 2 |
+
+## 3. Profile Summary
+
+| Metric | Value |
+|--------|-------|
+| Total instrumented functions | 1,392 |
+| Functions with non-zero counts | 117 (8.4%) |
+| Functions with zero counts | 1,275 (91.6%) |
+| Maximum function entry count | 386,459,248 |
+| Maximum internal block count | 370,477,680 |
+| Total block count | 4,198,023,118 |
+
+## 4. Top 20 Hotspot Functions
+
+| Rank | Total Count | Max Block Count | Function | Category |
+|------|------------|-----------------|----------|----------|
+| 1 | 1,241,601,732 | 370,477,680 | `polint_` | Interpolation |
+| 2 | 755,994,435 | 230,156,640 | `prolong3_` | Grid prolongation |
+| 3 | 667,964,095 | 3,697,792 | `compute_rhs_bssn_` | BSSN RHS evolution |
+| 4 | 539,736,051 | 386,459,248 | `symmetry_bd_` | Symmetry boundary |
+| 5 | 277,310,808 | 53,170,728 | `lopsided_` | Lopsided FD stencil |
+| 6 | 155,534,488 | 94,535,040 | `decide3d_` | 3D grid decision |
+| 7 | 119,267,712 | 19,266,048 | `rungekutta4_rout_` | RK4 time integrator |
+| 8 | 91,574,616 | 48,824,160 | `kodis_` | Kreiss-Oliger dissipation |
+| 9 | 67,555,389 | 43,243,680 | `fderivs_` | Finite differences |
+| 10 | 55,296,000 | 42,246,144 | `misc::fact(int)` | Factorial utility |
+| 11 | 43,191,071 | 27,663,328 | `fdderivs_` | 2nd-order FD derivatives |
+| 12 | 36,233,965 | 22,429,440 | `restrict3_` | Grid restriction |
+| 13 | 24,698,512 | 17,231,520 | `polin3_` | Polynomial interpolation |
+| 14 | 22,962,942 | 20,968,768 | `copy_` | Data copy |
+| 15 | 20,135,696 | 17,259,168 | `Ansorg::barycentric(...)` | Spectral interpolation |
+| 16 | 14,650,224 | 7,224,768 | `Ansorg::barycentric_omega(...)` | Spectral weights |
+| 17 | 13,242,296 | 2,871,920 | `global_interp_` | Global interpolation |
+| 18 | 12,672,000 | 7,734,528 | `sommerfeld_rout_` | Sommerfeld boundary |
+| 19 | 6,872,832 | 1,880,064 | `sommerfeld_routbam_` | Sommerfeld boundary (BAM) |
+| 20 | 5,709,900 | 2,809,632 | `l2normhelper_` | L2 norm computation |
+
+## 5. Hotspot Category Breakdown
+
+Top 20 functions account for ~98% of total execution counts:
+
+| Category | Functions | Combined Count | Share |
+|----------|-----------|---------------|-------|
+| Interpolation / Prolongation / Restriction | polint_, prolong3_, restrict3_, polin3_, global_interp_, Ansorg::* | ~2,093M | ~50% |
+| BSSN RHS + FD stencils | compute_rhs_bssn_, lopsided_, fderivs_, fdderivs_ | ~1,056M | ~25% |
+| Boundary conditions | symmetry_bd_, sommerfeld_rout_, sommerfeld_routbam_ | ~559M | ~13% |
+| Time integration | rungekutta4_rout_ | ~119M | ~3% |
+| Dissipation | kodis_ | ~92M | ~2% |
+| Utilities | misc::fact, decide3d_, copy_, l2normhelper_ | ~256M | ~6% |
+
+## 6. Conclusions
+
+1. **Profile data is valid**: 1,392 functions instrumented, 117 exercised with ~4.2 billion total counts.
+2. **Hotspot concentration is high**: Top 5 functions alone account for ~76% of all counts, which is ideal for PGO — the compiler has strong branch/layout optimization targets.
+3. **Fortran numerical kernels dominate**: `polint_`, `prolong3_`, `compute_rhs_bssn_`, `symmetry_bd_`, `lopsided_` are all Fortran routines in the inner evolution loop. PGO will optimize their branch prediction and basic block layout.
+4. **91.6% of functions have zero counts**: These are code paths for unused features (GPU, BSSN-EScalar, BSSN-EM, Z4C, etc.). PGO will deprioritize them, improving instruction cache utilization.
+5. **Profile is representative**: Despite the reduced grid size, the code path coverage matches production — the same kernels (RHS, prolongation, restriction, boundary) are exercised. PGO branch probabilities from this profile will transfer well to full-scale runs.
+
+## 7. PGO Phase 2 Usage
+
+To apply the profile, use the following flags in `makefile.inc`:
+
+```makefile
+CXXAPPFLAGS = -O3 -xHost -fp-model fast=2 -fma -ipo \
+              -fprofile-instr-use=/home/amss/AMSS-NCKU/pgo_profile/default.profdata \
+              -Dfortran3 -Dnewc -I${MKLROOT}/include
+f90appflags = -O3 -xHost -fp-model fast=2 -fma -ipo \
+              -fprofile-instr-use=/home/amss/AMSS-NCKU/pgo_profile/default.profdata \
+              -align array64byte -fpp -I${MKLROOT}/include
+```

plot_GW_strain_amplitude_xiaoqu.py

@@ -11,6 +11,8 @@
 import numpy                               ## numpy for array operations
 import scipy                               ## scipy for interpolation and signal processing
 import math
+import matplotlib
+matplotlib.use('Agg')                      ## use non-interactive backend for multiprocessing safety
 import matplotlib.pyplot    as     plt     ## matplotlib for plotting
 import os                                  ## os for system/file operations
 

plot_binary_data.py

@@ -8,16 +8,23 @@
 ##
 #################################################
 
+## Restrict OpenMP to one thread per process so that running
+## many workers in parallel does not create an O(workers * BLAS_threads)
+## thread explosion.  The variable MUST be set before numpy/scipy
+## are imported, because the BLAS library reads them only at load time.
+import os
+os.environ.setdefault("OMP_NUM_THREADS",        "1")
+
 import numpy
 import scipy
+import matplotlib
+matplotlib.use('Agg')                      ## use non-interactive backend for multiprocessing safety
 import matplotlib.pyplot    as     plt
 from   matplotlib.colors    import LogNorm
 from   mpl_toolkits.mplot3d import Axes3D
 ## import torch
 import AMSS_NCKU_Input      as input_data
 
-import os
-
 
 #########################################################################################
 
@@ -192,3 +199,19 @@ def get_data_xy( Rmin, Rmax, n, data0, time, figure_title, figure_outdir ):
 
 ####################################################################################
 
+
+####################################################################################
+## Allow this module to be run as a standalone script so that each
+## binary-data plot can be executed in a fresh subprocess whose BLAS
+## environment variables (set above) take effect before numpy loads.
+##
+## Usage:  python3 plot_binary_data.py <filename> <binary_outdir> <figure_outdir>
+####################################################################################
+
+if __name__ == '__main__':
+    import sys
+    if len(sys.argv) != 4:
+        print(f"Usage: {sys.argv[0]} <filename> <binary_outdir> <figure_outdir>")
+        sys.exit(1)
+    plot_binary_data(sys.argv[1], sys.argv[2], sys.argv[3])
+

plot_xiaoqu.py

@@ -8,6 +8,8 @@
 #################################################
 
 import numpy                               ## numpy for array operations
+import matplotlib
+matplotlib.use('Agg')                      ## use non-interactive backend for multiprocessing safety
 import matplotlib.pyplot    as     plt     ## matplotlib for plotting
 from   mpl_toolkits.mplot3d import Axes3D  ## needed for 3D plots
 import glob
@@ -15,6 +17,9 @@ import os                                  ## operating system utilities
 
 import plot_binary_data
 import AMSS_NCKU_Input as input_data
+import subprocess
+import sys
+import multiprocessing
 
 # plt.rcParams['text.usetex'] = True  ## enable LaTeX fonts in plots
 
@@ -50,10 +55,40 @@ def generate_binary_data_plot( binary_outdir, figure_outdir ):
         file_list.append(x)
         print(x)
 
-    ## Plot each file in the list
+    ## Plot each file in parallel using subprocesses.
+    ## Each subprocess is a fresh Python process where the BLAS thread-count
+    ## environment variables (set at the top of plot_binary_data.py) take
+    ## effect before numpy is imported.  This avoids the thread explosion
+    ## that occurs when multiprocessing.Pool with 'fork' context inherits
+    ## already-initialized multi-threaded BLAS from the parent.
+    script = os.path.join( os.path.dirname(__file__), "plot_binary_data.py" )
+    max_workers = min( multiprocessing.cpu_count(), len(file_list) ) if file_list else 0
+
+    running = []
+    failed  = []
     for filename in file_list:
         print(filename)
-        plot_binary_data.plot_binary_data(filename, binary_outdir, figure_outdir)
+        proc = subprocess.Popen(
+            [sys.executable, script, filename, binary_outdir, figure_outdir],
+        )
+        running.append( (proc, filename) )
+        ## Keep at most max_workers subprocesses active at a time
+        if len(running) >= max_workers:
+            p, fn = running.pop(0)
+            p.wait()
+            if p.returncode != 0:
+                failed.append(fn)
+
+    ## Wait for all remaining subprocesses to finish
+    for p, fn in running:
+        p.wait()
+        if p.returncode != 0:
+            failed.append(fn)
+
+    if failed:
+        print( " WARNING: the following binary data plots failed:" )
+        for fn in failed:
+            print( "   ", fn )
 
     print(                        )
     print( " Binary Data Plot Has been Finished " )