黄老板逆天重写

The data_packer(NULL, ...) calls that compute send/recv buffer lengths
traverse all grid segments × variables × nprocs on every Sync_start
invocation, even though lengths never change once the cache is built.
Add a lengths_valid flag to SyncCache so these length computations are
done once and reused on subsequent calls (4× per RK4 step).

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>

.gitignore

@@ -1,6 +1,6 @@
-__pycache__
+__pycache__
-GW150914
+GW150914
-GW150914-origin
+GW150914-origin
-docs
+docs
-*.tmp
+*.tmp
-
+

AMSS_NCKU_Input.py

@@ -16,7 +16,7 @@ import numpy
 File_directory   = "GW150914"                    ## output file directory
 Output_directory = "binary_output"               ## binary data file directory
                                                  ## The file directory name should not be too long
-MPI_processes    = 1                              ## number of processes (MPI removed, single-process mode)
+MPI_processes    = 2                          ## number of mpi processes used in the simulation
 
 GPU_Calculation  = "no"                          ## Use GPU or not 
                                                  ## (prefer "no" in the current version, because the GPU part may have bugs when integrated in this Python interface)
@@ -50,7 +50,7 @@ Check_Time               = 100.0
 Dump_Time                = 100.0                  ## time inteval dT for dumping binary data
 D2_Dump_Time             = 100.0                  ## dump the ascii data for 2d surface after dT'
 Analysis_Time            = 0.1                    ## dump the puncture position and GW psi4 after dT"
-Evolution_Step_Number    = 10000000               ## stop the calculation after the maximal step number
+Evolution_Step_Number    = 6               ## stop the calculation after the maximal step number
 Courant_Factor           = 0.5                    ## Courant Factor
 Dissipation              = 0.15                   ## Kreiss-Oliger Dissipation Strength
 

AMSS_NCKU_Program.py

@@ -49,32 +49,32 @@ import time
 File_directory = os.path.join(input_data.File_directory)   
 
 ## If the specified output directory exists, ask the user whether to continue
-if os.path.exists(File_directory):
+# if os.path.exists(File_directory):
-    print( " Output dictionary has been existed !!!  "                                                              )
+#     print( " Output dictionary has been existed !!!  "                                                              )
-    print( " If you want to overwrite the existing file directory, please input 'continue' in the terminal !! "     ) 
+#     print( " If you want to overwrite the existing file directory, please input 'continue' in the terminal !! "     ) 
-    print( " If you want to retain the existing file directory, please input 'stop' in the terminal to stop the "   ) 
+#     print( " If you want to retain the existing file directory, please input 'stop' in the terminal to stop the "   ) 
-    print( " simulation. Then you can reset the output dictionary in the input script file AMSS_NCKU_Input.py !!! " )
+#     print( " simulation. Then you can reset the output dictionary in the input script file AMSS_NCKU_Input.py !!! " )
-    print(                                                                                                          )
+#     print(                                                                                                          )
-    ## Prompt whether to overwrite the existing directory
+#     ## Prompt whether to overwrite the existing directory
-    while True:
+#     while True:
-        try:
+#         try:
-            inputvalue = input()
+#             inputvalue = input()
-            ## If the user agrees to overwrite, proceed and remove the existing directory
+#             ## If the user agrees to overwrite, proceed and remove the existing directory
-            if ( inputvalue == "continue" ):
+#             if ( inputvalue == "continue" ):
-                print( " Continue the calculation !!! " )
+#                 print( " Continue the calculation !!! " )
-                print(                                  )
+#                 print(                                  )
-                break  
+#                 break  
-            ## If the user chooses not to overwrite, exit and keep the existing directory
+#             ## If the user chooses not to overwrite, exit and keep the existing directory
-            elif ( inputvalue == "stop" ):
+#             elif ( inputvalue == "stop" ):
-                print( " Stop the calculation !!! "    )
+#                 print( " Stop the calculation !!! "    )
-                sys.exit() 
+#                 sys.exit() 
-            ## If the user input is invalid, prompt again
+#             ## If the user input is invalid, prompt again
-            else:
+#             else:
-                print( " Please input your choice !!! "                   )
+#                 print( " Please input your choice !!! "                   )
-                print( " Input 'continue' or 'stop' in the terminal !!! " )
+#                 print( " Input 'continue' or 'stop' in the terminal !!! " )
-        except ValueError:
+#         except ValueError:
-            print( " Please input your choice !!! "                   )
+#             print( " Please input your choice !!! "                   )
-            print( " Input 'continue' or 'stop' in the terminal !!! " )
+#             print( " Input 'continue' or 'stop' in the terminal !!! " )
         
 ## Remove the existing output directory if present
 shutil.rmtree(File_directory, ignore_errors=True)

AMSS_NCKU_source/ABE.C

@@ -20,15 +20,11 @@ using namespace std;
 #include <map.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "misc.h"
 #include "macrodef.h"
-
+#include <omp.h>
 #ifndef ABEtype
 #error "not define ABEtype"
 #endif
@@ -73,8 +69,9 @@ int main(int argc, char *argv[])
 
       double Begin_clock, End_clock;
       if (myrank == 0)
-      {
+      {     
             Begin_clock = MPI_Wtime();
+
       }
 
       if (argc > 1)

AMSS_NCKU_source/Ansorg.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #define PI M_PI
 

AMSS_NCKU_source/Block.h

@@ -2,11 +2,7 @@
 #ifndef BLOCK_H
 #define BLOCK_H
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 #include "macrodef.h" //need dim here; Vertex or Cell
 #include "var.h"
 #include "MyList.h"

AMSS_NCKU_source/IntPnts0.C

@@ -4,11 +4,7 @@
 #include <stdarg.h>
 #include <string.h>
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "myglobal.h"
 

AMSS_NCKU_source/MPatch.C

@@ -13,7 +13,7 @@ using namespace std;
 #include "MPatch.h"
 #include "Parallel.h"
 #include "fmisc.h"
-
+#include "xh_global_interp.h"
 Patch::Patch(int DIM, int *shapei, double *bboxi, int levi, bool buflog, int Symmetry) : lev(levi)
 {
 
@@ -394,7 +394,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
     while (notfind && Bp) // run along Blocks
     {
       Block *BP = Bp->data;
-
       bool flag = true;
       for (int i = 0; i < dim; i++)
       {
@@ -430,8 +429,10 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
+
+            xh_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++;
           }
@@ -441,6 +442,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
         break;
       Bp = Bp->next;
     }
+
   }
 
   // Replace MPI_Allreduce with per-owner MPI_Bcast:
@@ -510,7 +512,8 @@ void Patch::Interp_Points(MyList<var> *VarList,
   int myrank, nprocs;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
   MPI_Comm_size(MPI_COMM_WORLD, &nprocs);
-
+// printf("here----\n");
+  // int zzz = 0;
   int ordn = 2 * ghost_width;
   MyList<var> *varl;
   int num_var = 0;
@@ -529,30 +532,35 @@ void Patch::Interp_Points(MyList<var> *VarList,
   for (int j = 0; j < NN; j++)
     owner_rank[j] = -1;
 
-  double DH[dim], llb[dim], uub[dim];
+  double DH[dim];
   for (int i = 0; i < dim; i++)
     DH[i] = getdX(i);
 
   // --- Interpolation phase (identical to original) ---
+  // printf("NN: %d, num_var = %d\n", NN, num_var);
+  #pragma omp parallel
+  {
+  #pragma omp for
   for (int j = 0; j < NN; j++)
   {
-    double pox[dim];
+    double pox[dim], llb[dim], uub[dim];
+    MyList<var> *varl1;
     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]))
+      // 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 (";
+      //   cout << "Patch::Interp_Points: point (";
-        for (int k = 0; k < dim; k++)
+      //   for (int k = 0; k < dim; k++)
-        {
+      //   {
-          cout << XX[k][j];
+      //     cout << XX[k][j];
-          if (k < dim - 1)
+      //     if (k < dim - 1)
-            cout << ",";
+      //       cout << ",";
-          else
+      //     else
-            cout << ") is out of current Patch." << endl;
+      //       cout << ") is out of current Patch." << endl;
-        }
+      //   }
-        MPI_Abort(MPI_COMM_WORLD, 1);
+      //   MPI_Abort(MPI_COMM_WORLD, 1);
-      }
+      // }
     }
 
     MyList<Block> *Bp = blb;
@@ -584,21 +592,23 @@ void Patch::Interp_Points(MyList<var> *VarList,
           break;
         }
       }
-
+      // printf("flag = %d\n", flag);
       if (flag)
       {
         notfind = false;
         owner_rank[j] = BP->rank;
         if (myrank == BP->rank)
         {
-          varl = VarList;
+          varl1 = VarList;
           int k = 0;
-          while (varl)
+          while (varl1)
           {
-            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);
+            xh_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl1->data->sgfn], Shellf[j * num_var + k],
-            varl = varl->next;
+                            pox[0], pox[1], pox[2], ordn, varl1->data->SoA, Symmetry);
+            varl1 = varl1->next;
             k++;
+            // zzz += 1;
           }
         }
       }
@@ -607,7 +617,8 @@ void Patch::Interp_Points(MyList<var> *VarList,
       Bp = Bp->next;
     }
   }
-
+  }
+  // printf("Interpolation done, zzz = %d\n", zzz);
   // --- Error check for unfound points ---
   for (int j = 0; j < NN; j++)
   {
@@ -773,7 +784,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
   int myrank, lmyrank;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
   MPI_Comm_rank(Comm_here, &lmyrank);
-
   int ordn = 2 * ghost_width;
   MyList<var> *varl;
   int num_var = 0;
@@ -863,7 +873,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
+            xh_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++;
@@ -1095,7 +1105,7 @@ bool Patch::Interp_ONE_Point(MyList<var> *VarList, double *XX,
         {
           //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
           //	  		                                    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[k],
+          xh_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[k],
                           pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
           varl = varl->next;
           k++;
@@ -1197,7 +1207,7 @@ bool Patch::Interp_ONE_Point(MyList<var> *VarList, double *XX,
   // NOTE: we do not Synchnize variables here, make sure of that before calling this routine
   int myrank;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-
+  
   int ordn = 2 * ghost_width;
   MyList<var> *varl;
   int num_var = 0;
@@ -1337,7 +1347,7 @@ bool Patch::Interp_ONE_Point(MyList<var> *VarList, double *XX,
         {
           //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
           //	  		                                    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[k],
+          xh_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[k],
                           pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
           varl = varl->next;
           k++;

AMSS_NCKU_source/MPatch.h

@@ -2,11 +2,7 @@
 #ifndef PATCH_H
 #define PATCH_H
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 #include "MyList.h"
 #include "Block.h"
 #include "var.h"

AMSS_NCKU_source/Newton.C

@@ -8,11 +8,7 @@
 #include <limits.h>
 #include <float.h>
 #include <math.h>
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "util_Table.h"
 #include "cctk.h"

AMSS_NCKU_source/NullShellPatch.h

@@ -23,11 +23,7 @@ using namespace std;
 #include <complex.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 #include "MyList.h"
 #include "Block.h"
 #include "Parallel.h"

AMSS_NCKU_source/NullShellPatch2.h

@@ -23,11 +23,7 @@ using namespace std;
 #include <complex.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 #include "MyList.h"
 #include "Block.h"
 #include "Parallel.h"

AMSS_NCKU_source/Parallel.C

@@ -4,7 +4,7 @@
 #include "prolongrestrict.h"
 #include "misc.h"
 #include "parameters.h"
-
+#include <omp.h>
 int Parallel::partition1(int &nx, int split_size, int min_width, int cpusize, int shape) // special for 1 diemnsion
 {
   nx = Mymax(1, shape / min_width);
@@ -3338,7 +3338,7 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
 {
   int myrank;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-
+  // double time1 = omp_get_wtime();
   int DIM = dim;
 
   if (dir != PACK && dir != UNPACK)
@@ -3361,7 +3361,6 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
     varls = varls->next;
     varld = varld->next;
   }
-
   if (varls || varld)
   {
     cout << "error in short data packer, var lists does not match." << endl;
@@ -3375,7 +3374,6 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
     type = 2;
   else
     type = 3;
-
   while (src && dst)
   {
     if ((dir == PACK && dst->data->Bg->rank == rank_in && src->data->Bg->rank == myrank) ||
@@ -3385,6 +3383,7 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
       varld = VarListd;
       while (varls && varld)
       {
+
         if (data)
         {
           if (dir == PACK)
@@ -3405,6 +3404,7 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
               f_prolong3(DIM, src->data->Bg->bbox, src->data->Bg->bbox + dim, src->data->Bg->shape, src->data->Bg->fgfs[varls->data->sgfn],
                          dst->data->llb, dst->data->uub, dst->data->shape, data + size_out,
                          dst->data->llb, dst->data->uub, varls->data->SoA, Symmetry);
+
             }
           if (dir == UNPACK) // from target data to corresponding grid
             f_copy(DIM, dst->data->Bg->bbox, dst->data->Bg->bbox + dim, dst->data->Bg->shape, dst->data->Bg->fgfs[varld->data->sgfn],
@@ -3418,8 +3418,14 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
     }
     dst = dst->next;
     src = src->next;
-  }
 
+  }
+  // double time2 = omp_get_wtime();
+  // xxx += time2 - time1;
+  // if(myrank == 0){
+  // printf("prolong3 time = %lf\n", time2 - time1);
+
+  // }
   return size_out;
 }
 int Parallel::data_packermix(double *data, MyList<Parallel::gridseg> *src, MyList<Parallel::gridseg> *dst, int rank_in, int dir,
@@ -3514,7 +3520,7 @@ void Parallel::transfer(MyList<Parallel::gridseg> **src, MyList<Parallel::gridse
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
 
   int node;
-
+  // double time1 = omp_get_wtime();
   MPI_Request *reqs;
   MPI_Status *stats;
   reqs = new MPI_Request[2 * cpusize];
@@ -3583,7 +3589,9 @@ void Parallel::transfer(MyList<Parallel::gridseg> **src, MyList<Parallel::gridse
     if (rec_data[node])
       delete[] rec_data[node];
   }
-
+  // double time2 = omp_get_wtime();
+  // if (myrank == 0)
+  //   printf("transfer time = %lf\n", time2 - time1);
   delete[] reqs;
   delete[] stats;
   delete[] send_data;
@@ -3853,7 +3861,8 @@ void Parallel::Sync_merged(MyList<Patch> *PatL, MyList<var> *VarList, int Symmet
 Parallel::SyncCache::SyncCache()
     : valid(false), cpusize(0), combined_src(0), combined_dst(0),
       send_lengths(0), recv_lengths(0), send_bufs(0), recv_bufs(0),
-      send_buf_caps(0), recv_buf_caps(0), reqs(0), stats(0), max_reqs(0)
+      send_buf_caps(0), recv_buf_caps(0), reqs(0), stats(0), max_reqs(0),
+      lengths_valid(false)
 {
 }
 // SyncCache invalidate: free grid segment lists but keep buffers
@@ -3871,6 +3880,7 @@ void Parallel::SyncCache::invalidate()
     send_lengths[i] = recv_lengths[i] = 0;
   }
   valid = false;
+  lengths_valid = false;
 }
 // SyncCache destroy: free everything
 void Parallel::SyncCache::destroy()
@@ -4172,8 +4182,13 @@ void Parallel::Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetr
   {
     if (node == myrank)
     {
-      int length = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
+      int length;
-      cache.recv_lengths[node] = length;
+      if (!cache.lengths_valid) {
+        length = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
+        cache.recv_lengths[node] = length;
+      } else {
+        length = cache.recv_lengths[node];
+      }
       if (length > 0)
       {
         if (length > cache.recv_buf_caps[node])
@@ -4187,8 +4202,13 @@ void Parallel::Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetr
     }
     else
     {
-      int slength = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
+      int slength;
-      cache.send_lengths[node] = slength;
+      if (!cache.lengths_valid) {
+        slength = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
+        cache.send_lengths[node] = slength;
+      } else {
+        slength = cache.send_lengths[node];
+      }
       if (slength > 0)
       {
         if (slength > cache.send_buf_caps[node])
@@ -4200,8 +4220,13 @@ void Parallel::Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetr
         data_packer(cache.send_bufs[node], src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
         MPI_Isend((void *)cache.send_bufs[node], slength, MPI_DOUBLE, node, 2, MPI_COMM_WORLD, cache.reqs + state.req_no++);
       }
-      int rlength = data_packer(0, src[node], dst[node], node, UNPACK, VarList, VarList, Symmetry);
+      int rlength;
-      cache.recv_lengths[node] = rlength;
+      if (!cache.lengths_valid) {
+        rlength = data_packer(0, src[node], dst[node], node, UNPACK, VarList, VarList, Symmetry);
+        cache.recv_lengths[node] = rlength;
+      } else {
+        rlength = cache.recv_lengths[node];
+      }
       if (rlength > 0)
       {
         if (rlength > cache.recv_buf_caps[node])
@@ -4214,6 +4239,7 @@ void Parallel::Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetr
       }
     }
   }
+  cache.lengths_valid = true;
 }
 // Sync_finish: wait for async MPI operations and unpack
 void Parallel::Sync_finish(SyncCache &cache, AsyncSyncState &state,

AMSS_NCKU_source/Parallel.h

@@ -97,6 +97,7 @@ namespace Parallel
     MPI_Request *reqs;
     MPI_Status *stats;
     int max_reqs;
+    bool lengths_valid;
     SyncCache();
     void invalidate();
     void destroy();

AMSS_NCKU_source/ShellPatch.h

@@ -2,11 +2,7 @@
 #ifndef SHELLPATCH_H
 #define SHELLPATCH_H
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 #include "MyList.h"
 #include "Block.h"
 #include "Parallel.h"

AMSS_NCKU_source/Z4c_class.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "cgh.h"
 #include "ShellPatch.h"

AMSS_NCKU_source/bssnEM_class.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "cgh.h"
 #include "ShellPatch.h"

AMSS_NCKU_source/bssnEScalar_class.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "cgh.h"
 #include "ShellPatch.h"

AMSS_NCKU_source/bssn_class.C

@@ -40,7 +40,7 @@ using namespace std;
 
 #include "derivatives.h"
 #include "ricci_gamma.h"
-
+#include "xh_bssn_rhs_compute.h"
 //================================================================================================
 
 // define bssn_class
@@ -2029,6 +2029,7 @@ void bssn_class::Read_Ansorg()
 void bssn_class::Evolve(int Steps)
 {
   clock_t prev_clock, curr_clock;
+  double prev_time, curr_time;
   double LastDump = 0.0, LastCheck = 0.0, Last2dDump = 0.0;
   LastAnas = 0;
 #if 0
@@ -2141,8 +2142,10 @@ void bssn_class::Evolve(int Steps)
     //     if(fabs(Porg0[0][0]-Porg0[1][0])+fabs(Porg0[0][1]-Porg0[1][1])+fabs(Porg0[0][2]-Porg0[1][2])<1e-6) 
     //     { GH->levels=GH->movls; }
 
-    if (myrank == 0)
+    if (myrank == 0){
       curr_clock = clock();
+      curr_time = omp_get_wtime();
+    }
 #if (PSTR == 0)
     RecursiveStep(0);
 #elif (PSTR == 1 || PSTR == 2 || PSTR == 3)
@@ -2198,12 +2201,17 @@ void bssn_class::Evolve(int Steps)
     if (myrank == 0)
     {
       prev_clock = curr_clock;
+      prev_time = curr_time;
       curr_clock = clock();
+      curr_time = omp_get_wtime();
       cout << endl;
+      // cout << " Timestep # " << ncount << ": integrating to time: " << PhysTime << "   "
+      //      << " Computer used " << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+      //      << " seconds! " << endl;
+      // // cout << endl;
       cout << " Timestep # " << ncount << ": integrating to time: " << PhysTime << "   "
-           << " Computer used " << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+            << " Computer used " << (curr_time - prev_time) 
-           << " seconds! " << endl;
+            << " seconds! " << endl;
-      // cout << endl;
     }
 
     if (PhysTime >= TotalTime)
@@ -3092,7 +3100,7 @@ void bssn_class::Step(int lev, int YN)
                      cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
-        if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+        if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->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],
@@ -3292,7 +3300,7 @@ void bssn_class::Step(int lev, int YN)
                  << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
             ERROR = 1;
           }
-
+          // cout<<"....................................."<<endl;
           // rk4 substep and boundary
           {
             MyList<var> *varl0 = StateList, *varl = SynchList_pre, *varlrhs = RHSList; 
@@ -3457,7 +3465,7 @@ void bssn_class::Step(int lev, int YN)
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #endif
 
-          if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+          if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi->sgfn], cg->fgfs[trK->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],
@@ -3970,7 +3978,7 @@ void bssn_class::Step(int lev, int YN)
                      cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
-        if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+        if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->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],
@@ -4312,7 +4320,7 @@ void bssn_class::Step(int lev, int YN)
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #endif
 
-          if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+          if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi->sgfn], cg->fgfs[trK->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],
@@ -4848,7 +4856,7 @@ void bssn_class::Step(int lev, int YN)
                      cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
-        if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+        if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->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],
@@ -5048,7 +5056,7 @@ void bssn_class::Step(int lev, int YN)
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #endif
 
-          if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+          if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi->sgfn], cg->fgfs[trK->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],
@@ -7343,7 +7351,7 @@ void bssn_class::Constraint_Out()
             Block *cg = BP->data;
             if (myrank == cg->rank)
             {
-              f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+              f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi0->sgfn], cg->fgfs[trK0->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],
@@ -7846,7 +7854,7 @@ void bssn_class::Interp_Constraint(bool infg)
             Block *cg = BP->data;
             if (myrank == cg->rank)
             {
-              f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+              f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi0->sgfn], cg->fgfs[trK0->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],
@@ -8104,7 +8112,7 @@ void bssn_class::Compute_Constraint()
           Block *cg = BP->data;
           if (myrank == cg->rank)
           {
-            f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+            f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->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],

AMSS_NCKU_source/bssn_class.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "macrodef.h"
 #include "cgh.h"

AMSS_NCKU_source/bssn_gpu_class.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "macrodef.h"
 #include "cgh.h"

AMSS_NCKU_source/bssn_rhs.f90

@@ -106,38 +106,6 @@
   call getpbh(BHN,Porg,Mass)
 #endif
 
-!!! sanity check (disabled in production builds for performance)
-#ifdef DEBUG
-  dX = sum(chi)+sum(trK)+sum(dxx)+sum(gxy)+sum(gxz)+sum(dyy)+sum(gyz)+sum(dzz) &
-      +sum(Axx)+sum(Axy)+sum(Axz)+sum(Ayy)+sum(Ayz)+sum(Azz)                   &
-      +sum(Gamx)+sum(Gamy)+sum(Gamz)                                           &
-      +sum(Lap)+sum(betax)+sum(betay)+sum(betaz)
-  if(dX.ne.dX) then
-     if(sum(chi).ne.sum(chi))write(*,*)"bssn.f90: find NaN in chi"
-     if(sum(trK).ne.sum(trK))write(*,*)"bssn.f90: find NaN in trk"
-     if(sum(dxx).ne.sum(dxx))write(*,*)"bssn.f90: find NaN in dxx"
-     if(sum(gxy).ne.sum(gxy))write(*,*)"bssn.f90: find NaN in gxy"
-     if(sum(gxz).ne.sum(gxz))write(*,*)"bssn.f90: find NaN in gxz"
-     if(sum(dyy).ne.sum(dyy))write(*,*)"bssn.f90: find NaN in dyy"
-     if(sum(gyz).ne.sum(gyz))write(*,*)"bssn.f90: find NaN in gyz"
-     if(sum(dzz).ne.sum(dzz))write(*,*)"bssn.f90: find NaN in dzz"
-     if(sum(Axx).ne.sum(Axx))write(*,*)"bssn.f90: find NaN in Axx"
-     if(sum(Axy).ne.sum(Axy))write(*,*)"bssn.f90: find NaN in Axy"
-     if(sum(Axz).ne.sum(Axz))write(*,*)"bssn.f90: find NaN in Axz"
-     if(sum(Ayy).ne.sum(Ayy))write(*,*)"bssn.f90: find NaN in Ayy"
-     if(sum(Ayz).ne.sum(Ayz))write(*,*)"bssn.f90: find NaN in Ayz"
-     if(sum(Azz).ne.sum(Azz))write(*,*)"bssn.f90: find NaN in Azz"
-     if(sum(Gamx).ne.sum(Gamx))write(*,*)"bssn.f90: find NaN in Gamx"
-     if(sum(Gamy).ne.sum(Gamy))write(*,*)"bssn.f90: find NaN in Gamy"
-     if(sum(Gamz).ne.sum(Gamz))write(*,*)"bssn.f90: find NaN in Gamz"
-     if(sum(Lap).ne.sum(Lap))write(*,*)"bssn.f90: find NaN in Lap"
-     if(sum(betax).ne.sum(betax))write(*,*)"bssn.f90: find NaN in betax"
-     if(sum(betay).ne.sum(betay))write(*,*)"bssn.f90: find NaN in betay"
-     if(sum(betaz).ne.sum(betaz))write(*,*)"bssn.f90: find NaN in betaz"
-     gont = 1
-     return
-  endif
-#endif
 
   PI = dacos(-ONE)
 
@@ -634,7 +602,7 @@
   gxxx = (gupxx * chix + gupxy * chiy + gupxz * chiz)/chin1
   gxxy = (gupxy * chix + gupyy * chiy + gupyz * chiz)/chin1
   gxxz = (gupxz * chix + gupyz * chiy + gupzz * chiz)/chin1
-! now get physical second kind of connection
+
   Gamxxx = Gamxxx - ( (chix + chix)/chin1 - gxx * gxxx )*HALF
   Gamyxx = Gamyxx - (                     - gxx * gxxy )*HALF
   Gamzxx = Gamzxx - (                     - gxx * gxxz )*HALF

AMSS_NCKU_source/cgh.C

@@ -20,11 +20,7 @@ using namespace std;
 #include <map.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "macrodef.h"
 #include "misc.h"

AMSS_NCKU_source/cgh.h

@@ -2,11 +2,7 @@
 #ifndef CGH_H
 #define CGH_H
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 #include "MyList.h"
 #include "MPatch.h"
 #include "macrodef.h"

AMSS_NCKU_source/checkpoint.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <time.h>
 #include <stdlib.h>
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "var.h"
 #include "MyList.h"

AMSS_NCKU_source/diff_new.f90

@@ -69,7 +69,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -152,7 +151,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -220,7 +218,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -285,7 +282,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -375,7 +371,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -474,7 +469,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -537,7 +531,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -601,7 +594,6 @@
 
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -665,7 +657,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -728,7 +719,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -790,7 +780,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -877,7 +866,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1009,7 +997,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1164,7 +1151,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1241,7 +1227,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1312,7 +1297,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1417,7 +1401,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1593,7 +1576,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1661,7 +1643,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1731,7 +1712,6 @@
 
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1801,7 +1781,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1872,7 +1851,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -1941,7 +1919,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2034,7 +2011,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2151,7 +2127,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2237,7 +2212,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2314,7 +2288,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2433,7 +2406,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2621,7 +2593,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2694,7 +2665,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2770,7 +2740,6 @@
 
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2846,7 +2815,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -2927,7 +2895,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3006,7 +2973,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3114,7 +3080,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3251,7 +3216,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3347,7 +3311,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3432,7 +3395,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3568,7 +3530,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3841,7 +3802,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -3923,7 +3883,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -4008,7 +3967,6 @@
   
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -4093,7 +4051,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -4196,7 +4153,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
@@ -4297,7 +4253,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1

AMSS_NCKU_source/diff_new_sh.f90

@@ -81,7 +81,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -180,7 +179,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -264,7 +262,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -345,7 +342,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -447,7 +443,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -558,7 +553,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -633,7 +627,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -709,7 +702,6 @@
 
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -785,7 +777,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -860,7 +851,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -934,7 +924,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1030,7 +1019,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1146,7 +1134,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1240,7 +1227,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1328,7 +1314,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1445,7 +1430,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1596,7 +1580,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1676,7 +1659,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1758,7 +1740,6 @@
 
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1840,7 +1821,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -1923,7 +1903,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2004,7 +1983,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2109,7 +2087,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2242,7 +2219,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2345,7 +2321,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2439,7 +2414,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2570,7 +2544,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2770,7 +2743,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2855,7 +2827,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -2943,7 +2914,6 @@
 
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3031,7 +3001,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3124,7 +3093,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3215,7 +3183,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3335,7 +3302,6 @@
   fy = ZEO
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3488,7 +3454,6 @@
 
   fx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3601,7 +3566,6 @@
 
   fy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3703,7 +3667,6 @@
 
   fz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -3851,7 +3814,6 @@
   fxz = ZEO
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4136,7 +4098,6 @@
 
   fxx = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4230,7 +4191,6 @@
 
   fyy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4327,7 +4287,6 @@
   
   fzz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4424,7 +4383,6 @@
 
   fxy = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4539,7 +4497,6 @@
 
   fxz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4652,7 +4609,6 @@
 
   fyz = ZEO
 
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4723,7 +4679,6 @@ subroutine fderivs_shc(ex,f,fx,fy,fz,crho,sigma,R,SYM1,SYM2,SYM3,Symmetry,Lev,ss
 #if 0  
   integer :: i,j,k
   
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -4774,7 +4729,6 @@ subroutine fdderivs_shc(ex,f,fxx,fxy,fxz,fyy,fyz,fzz,crho,sigma,R,SYM1,SYM2,SYM3
 #if 0  
   integer :: i,j,k
   
-  !$omp parallel do collapse(2) private(i,j,k)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)

AMSS_NCKU_source/enforce_algebra.f90

@@ -27,7 +27,6 @@
 
 !~~~~~~>
 
-  !$omp parallel do collapse(2) private(i,j,k,lgxx,lgyy,lgzz,ldetg,lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz,ltrA,lscale)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
@@ -105,7 +104,6 @@
 
 !~~~~~~>
 
-  !$omp parallel do collapse(2) private(i,j,k,lgxx,lgyy,lgzz,lscale,lgxy,lgxz,lgyz,lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz,ltrA)
   do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)

AMSS_NCKU_source/expansion.C

@@ -6,11 +6,7 @@
 #include <stdio.h>
 #include <assert.h>
 #include <math.h>
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "util_Table.h"
 #include "cctk.h"

AMSS_NCKU_source/extention/include/xh_bssn_rhs_compute.h

@@ -0,0 +1,26 @@
+#include "xh_macrodef.h"
+#include "xh_tool.h"
+int f_compute_rhs_bssn(int *ex, double &T, 
+                       double *X, double *Y, double *Z,
+                       double *chi, double *trK,
+                       double *dxx, double *gxy, double *gxz, double *dyy, double *gyz, double *dzz,
+                       double *Axx, double *Axy, double *Axz, double *Ayy, double *Ayz, double *Azz,
+                       double *Gamx, double *Gamy, double *Gamz,
+                       double *Lap, double *betax, double *betay, double *betaz,
+                       double *dtSfx, double *dtSfy, double *dtSfz,
+                       double *chi_rhs, double *trK_rhs,
+                       double *gxx_rhs, double *gxy_rhs, double *gxz_rhs, double *gyy_rhs, double *gyz_rhs, double *gzz_rhs,
+                       double *Axx_rhs, double *Axy_rhs, double *Axz_rhs, double *Ayy_rhs, double *Ayz_rhs, double *Azz_rhs,
+                       double *Gamx_rhs, double *Gamy_rhs, double *Gamz_rhs,
+                       double *Lap_rhs, double *betax_rhs, double *betay_rhs, double *betaz_rhs,
+                       double *dtSfx_rhs, double *dtSfy_rhs, double *dtSfz_rhs,
+                       double *rho, double *Sx, double *Sy, double *Sz,
+                       double *Sxx, double *Sxy, double *Sxz, double *Syy, double *Syz, double *Szz,
+                       double *Gamxxx, double *Gamxxy, double *Gamxxz, double *Gamxyy, double *Gamxyz, double *Gamxzz,
+                       double *Gamyxx, double *Gamyxy, double *Gamyxz, double *Gamyyy, double *Gamyyz, double *Gamyzz,
+                       double *Gamzxx, double *Gamzxy, double *Gamzxz, double *Gamzyy, double *Gamzyz, double *Gamzzz,
+                       double *Rxx, double *Rxy, double *Rxz, double *Ryy, double *Ryz, double *Rzz,
+                       double *ham_Res, double *movx_Res, double *movy_Res, double *movz_Res,
+                       double *Gmx_Res, double *Gmy_Res, double *Gmz_Res,
+                       int &Symmetry, int &Lev, double &eps, int &co
+                       ); 

AMSS_NCKU_source/extention/include/xh_macrodef.h

@@ -0,0 +1,66 @@
+/* tetrad notes
+   v:r; u: phi; w: theta
+
+   tetradtype 0
+   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
+   orthonormal order: w,u,v
+   m = (theta + i phi)/sqrt(2) following Sperhake, Eq.(3.2) of  PRD 85, 124062(2012)
+
+   tetradtype 2
+   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)
+*/
+#define tetradtype 2
+
+/* Cell center or Vertex center */
+#define Cell
+
+/* ghost_width meaning:
+   2nd order: 2
+   4th order: 3
+   6th order: 4
+   8th order: 5
+*/
+#define ghost_width 3
+
+/* use shell or not */
+#define WithShell
+
+/* use constraint preserving boundary condition or not
+   only affect Z4c
+*/
+#define CPBC
+
+/* Gauge condition type
+   0: B^i gauge
+   1: David's puncture gauge
+   2: MB B^i gauge
+   3: RIT B^i gauge
+   4: MB beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
+   5: RIT beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
+   6: MGB1 B^i gauge
+   7: MGB2 B^i gauge
+*/
+#define GAUGE 2
+
+/* buffer points for CPBC boundary */
+#define CPBC_ghost_width (ghost_width)
+
+/* using BSSN variable for constraint violation and psi4 calculation: 0
+   using ADM variable for constraint violation and psi4 calculation: 1
+*/
+#define ABV 0
+
+/* Type of Potential and Scalar Distribution in F(R) Scalar-Tensor Theory
+   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
+   3: ground state of Schrodinger-Newton system, f(R) = R+a2*R^2 induced V
+   4: a2 = infinity 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
+*/
+#define EScalar_CC 2

AMSS_NCKU_source/extention/include/xh_share_func.h

@@ -0,0 +1,338 @@
+#ifndef SHARE_FUNC_H
+#define SHARE_FUNC_H
+
+#include <stdlib.h>
+#include <stddef.h>
+#include <math.h>
+#include <stdio.h>
+#include <omp.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
+
+/* 你已有的函数：idx_ex / idx_fh_F_ord2 以及 fh 的布局 */
+static inline void fdderivs_xh(
+    int i0, int j0, int k0,
+    const int ex[3],
+    const double *fh,
+    int iminF, int jminF, int kminF,
+    int imaxF, int jmaxF, int kmaxF,
+    double Fdxdx, double Fdydy, double Fdzdz,
+    double Fdxdy, double Fdxdz, double Fdydz,
+    double Sdxdx, double Sdydy, double Sdzdz,
+    double Sdxdy, double Sdxdz, double Sdydz,
+    double *fxx, double *fxy, double *fxz,
+    double *fyy, double *fyz, double *fzz
+){
+    const double F8  = 8.0;
+    const double F16 = 16.0;
+    const double F30 = 30.0;
+    const double TWO = 2.0;
+
+    const int iF = i0 + 1;
+    const int jF = j0 + 1;
+    const int kF = k0 + 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 */
+        {
+            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;
+    }
+}

AMSS_NCKU_source/extention/include/xh_tool.h

@@ -0,0 +1,27 @@
+#include "xh_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]);

AMSS_NCKU_source/extention/src/fdderivs-fast.c

@@ -0,0 +1,311 @@
+#include "../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;
+
+
+    /* 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;
+
+    /* 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);
+
+    static thread_local double *fh = NULL;
+    static thread_local 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);
+    const double SoA[3] = { SYM1, SYM2, SYM3 };
+
+    for (int k0 = 0; k0 < ex[2]; ++k0) {
+        for (int j0 = 0; j0 < ex[1]; ++j0) {
+            for (int i0 = 0; i0 < ex[0]; ++i0) {
+                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
+                fh[idx_funcc_F(iF, jF, kF, 2, ex)] = f[idx_func0(i0, j0, k0, ex)];
+            }
+        }
+    }
+
+    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
+    for (int ii = 0; ii <= 2 - 1; ++ii) {
+        const int iF_dst = -ii;       // 0, -1, -2, ...
+        const int iF_src = ii + 1;    // 1, 2, 3, ...
+        for (int kF = 1; kF <= ex[2]; ++kF) {
+            for (int jF = 1; jF <= ex[1]; ++jF) {
+                fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
+                    fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * 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 <= 2 - 1; ++jj) {
+        const int jF_dst = -jj;
+        const int jF_src = jj + 1;
+        for (int kF = 1; kF <= ex[2]; ++kF) {
+            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
+                    fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
+            }
+        }
+    }
+
+    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
+    for (int kk = 0; kk <= 2 - 1; ++kk) {
+        const int kF_dst = -kk;
+        const int kF_src = kk + 1;
+        for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
+            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
+                    fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
+            }
+        }
+    }
+    /* 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/extention/src/main.c

@@ -0,0 +1,7 @@
+#include "include/bssn_rhs_compute.h"
+
+int main() {
+    // 这里可以写一些测试代码，调用 f_compute_rhs_bssn 来验证它的正确性
+    // 例如，定义一些小的网格和初始条件，调用函数，并检查输出是否合理。
+    return 0;
+}

AMSS_NCKU_source/extention/src/new.c

@@ -0,0 +1,65 @@
+        SoA[0] = SYM, SoA[1] = SYM, SoA[2] = SYM;
+        #pragma omp for collapse(3)
+        for (int k0 = 0; k0 < ex[2]; ++k0) {
+            for (int j0 = 0; j0 < ex[1]; ++j0) {
+                for (int i0 = 0; i0 < ex[0]; ++i0) {
+                    const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
+                    fh[idx_funcc_F(iF, jF, kF, 2, ex)] = Lap[idx_func0(i0, j0, k0, ex)];
+                }
+            }
+        }
+
+        // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
+        #pragma omp for collapse(3)
+        for (int ii = 0; ii <= 2 - 1; ++ii) {
+            const int iF_dst = -ii;       // 0, -1, -2, ...
+            const int iF_src = ii + 1;    // 1, 2, 3, ...
+            for (int kF = 1; kF <= ex[2]; ++kF) {
+                for (int jF = 1; jF <= ex[1]; ++jF) {
+                    fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
+                        fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * 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
+        #pragma omp for collapse(3)
+        for (int jj = 0; jj <= 2 - 1; ++jj) {
+            const int jF_dst = -jj;
+            const int jF_src = jj + 1;
+            for (int kF = 1; kF <= ex[2]; ++kF) {
+                for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                    fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
+                        fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
+                }
+            }
+        }
+
+        // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
+        #pragma omp for collapse(3)
+        for (int kk = 0; kk <= 2 - 1; ++kk) {
+            const int kF_dst = -kk;
+            const int kF_src = kk + 1;
+            for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
+                for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                    fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
+                        fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
+                }
+            }
+        }
+
+        #pragma omp for collapse(3)
+        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) {
+                    fdderivs_xh(i0, j0, k0, ex, fh, iminF, jminF, kminF, ex1, ex2, ex3, 
+                        Fdxdx, Fdydy, Fdzdz, Fdxdy, Fdxdz, Fdydz,
+                        Sdxdx, Sdydy, Sdzdz, Sdxdy, Sdxdz, Sdydz,
+                            fxx,fxy,fxz,fyy,fyz,fzz
+                    );
+                }
+            }
+        }

AMSS_NCKU_source/extention/src/xh_fdderivs.c

@@ -0,0 +1,311 @@
+#include "xh_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;
+
+
+    /* 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;
+
+    /* 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);
+
+    static thread_local double *fh = NULL;
+    static thread_local 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);
+    const double SoA[3] = { SYM1, SYM2, SYM3 };
+
+    for (int k0 = 0; k0 < ex[2]; ++k0) {
+        for (int j0 = 0; j0 < ex[1]; ++j0) {
+            for (int i0 = 0; i0 < ex[0]; ++i0) {
+                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
+                fh[idx_funcc_F(iF, jF, kF, 2, ex)] = f[idx_func0(i0, j0, k0, ex)];
+            }
+        }
+    }
+
+    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
+    for (int ii = 0; ii <= 2 - 1; ++ii) {
+        const int iF_dst = -ii;       // 0, -1, -2, ...
+        const int iF_src = ii + 1;    // 1, 2, 3, ...
+        for (int kF = 1; kF <= ex[2]; ++kF) {
+            for (int jF = 1; jF <= ex[1]; ++jF) {
+                fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
+                    fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * 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 <= 2 - 1; ++jj) {
+        const int jF_dst = -jj;
+        const int jF_src = jj + 1;
+        for (int kF = 1; kF <= ex[2]; ++kF) {
+            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
+                    fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
+            }
+        }
+    }
+
+    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
+    for (int kk = 0; kk <= 2 - 1; ++kk) {
+        const int kF_dst = -kk;
+        const int kF_src = kk + 1;
+        for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
+            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
+                    fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
+            }
+        }
+    }
+    /* 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/extention/src/xh_fderivs.c

@@ -0,0 +1,145 @@
+#include "xh_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];
+
+    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 thread_local double *fh = NULL;
+    static thread_local 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) <= ex1 && (iF - 2) >= iminF &&
+                    (jF + 2) <= ex2 && (jF - 2) >= jminF &&
+                    (kF + 2) <= ex3 && (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) <= ex1 && (iF - 1) >= iminF &&
+                         (jF + 1) <= ex2 && (jF - 1) >= jminF &&
+                         (kF + 1) <= ex3 && (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/extention/src/xh_kodiss.c

@@ -0,0 +1,116 @@
+#include "xh_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;
+
+    static thread_local double *fh = NULL;
+    static thread_local size_t cap = 0;
+
+    if (fh_size > cap) {
+        free(fh);
+        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
+        cap = fh_size;
+    }
+    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/extention/src/xh_lopsided.c

@@ -0,0 +1,262 @@
+#include "xh_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;
+
+    static thread_local double *fh = NULL;
+    static thread_local size_t cap = 0;
+
+    if (fh_size > cap) {
+        free(fh);
+        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
+        cap = fh_size;
+    }
+    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/find_horizons.C

@@ -6,11 +6,7 @@
 #include <stdio.h>
 #include <assert.h>
 #include <math.h>
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "cctk.h"
 

AMSS_NCKU_source/kodiss.f90

@@ -65,8 +65,7 @@ real*8,intent(in) :: eps
 !                       dx^4
 
 !  note the sign (-1)^r-1, now r=2
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -160,8 +159,7 @@ integer, parameter :: NO_SYMM=0, OCTANT=2
 
   call symmetry_bd(3,ex,f,fh,SoA)
 
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -275,8 +273,7 @@ real*8,intent(in) :: eps
 !                                              dx^8
 
 !  note the sign (-1)^r-1, now r=4
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -388,8 +385,7 @@ real*8,intent(in) :: eps
 !                                                              dx^10
 
 !  note the sign (-1)^r-1, now r=5
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 

AMSS_NCKU_source/kodiss_sh.f90

@@ -80,8 +80,7 @@ real*8,intent(in) :: eps
 !                       dx^4
 
 !  note the sign (-1)^r-1, now r=2
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -179,8 +178,7 @@ real*8,intent(in) :: eps
 !                       dx^4
 
 !  note the sign (-1)^r-1, now r=2
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -275,8 +273,7 @@ integer, parameter :: NO_SYMM=0, EQ_SYMM=1, OCTANT=2
 
   call symmetry_stbd(2,ex,f,fh,SoA)
 
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -372,8 +369,7 @@ integer, parameter :: NO_SYMM=0, EQ_SYMM=1, OCTANT=2
 
   call symmetry_stbd(3,ex,f,fh,SoA)
 
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -514,8 +510,7 @@ integer, parameter :: NO_SYMM=0, EQ_SYMM=1, OCTANT=2
 
   call symmetry_stbd(3,ex,f,fh,SoA)
 
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -603,8 +598,7 @@ integer, parameter :: NO_SYMM=0, EQ_SYMM=1, OCTANT=2
 
   call symmetry_stbd(3,ex,f,fh,SoA)
 
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -700,8 +694,7 @@ real*8,intent(in) :: eps
 !                                              dx^8
 
 !  note the sign (-1)^r-1, now r=4
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -801,8 +794,7 @@ integer, parameter :: NO_SYMM=0, EQ_SYMM=1, OCTANT=2
 
   call symmetry_stbd(4,ex,f,fh,SoA)
 
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -911,8 +903,7 @@ real*8,intent(in) :: eps
 !                                                              dx^10
 
 !  note the sign (-1)^r-1, now r=5
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 
@@ -1015,8 +1006,7 @@ integer, parameter :: NO_SYMM=0, EQ_SYMM=1, OCTANT=2
 
   call symmetry_stbd(5,ex,f,fh,SoA)
 
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)
-  do k=1,ex(3)
   do j=1,ex(2)
   do i=1,ex(1)
 

AMSS_NCKU_source/lopsidediff.f90

@@ -68,8 +68,7 @@ subroutine lopsided(ex,X,Y,Z,f,f_rhs,Sfx,Sfy,Sfz,Symmetry,SoA)
 
 ! upper bound set ex-1 only for efficiency, 
 ! the loop body will set ex 0 also
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)-1
-  do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
 ! x direction   
@@ -234,8 +233,7 @@ subroutine lopsided(ex,X,Y,Z,f,f_rhs,Sfx,Sfy,Sfz,Symmetry,SoA)
 
 ! upper bound set ex-1 only for efficiency, 
 ! the loop body will set ex 0 also
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)-1
-  do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
 #if 0  
@@ -560,8 +558,7 @@ subroutine lopsided(ex,X,Y,Z,f,f_rhs,Sfx,Sfy,Sfz,Symmetry,SoA)
 
 ! upper bound set ex-1 only for efficiency, 
 ! the loop body will set ex 0 also
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)-1
-  do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
 ! x direction   
@@ -777,8 +774,7 @@ subroutine lopsided(ex,X,Y,Z,f,f_rhs,Sfx,Sfy,Sfz,Symmetry,SoA)
 
 ! upper bound set ex-1 only for efficiency, 
 ! the loop body will set ex 0 also
-  !$omp parallel do collapse(2) private(i,j,k)
+  do k=1,ex(3)-1
-  do k=1,ex(3)-1
   do j=1,ex(2)-1
   do i=1,ex(1)-1
 ! x direction   

AMSS_NCKU_source/makefile

@@ -8,7 +8,7 @@ include makefile.inc
 	$(f90) $(f90appflags) -c $< -o $@
 
 .C.o:
-	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
+	${CXX} $(CXXAPPFLAGS) -qopenmp -c $< $(filein) -o $@
 
 .for.o:
 	$(f77) -c $< -o $@
@@ -28,7 +28,8 @@ C++FILES = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.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 xh_bssn_rhs.o xh_fdderivs.o xh_fderivs.o xh_kodiss.o xh_lopsided.o \
+	   xh_global_interp.o xh_polint3.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\
@@ -72,7 +73,7 @@ $(C++FILES): Block.h enforce_algebra.h fmisc.h initial_puncture.h macrodef.h\
              fadmquantites_bssn.h cpbc.h getnp4.h initial_null.h NullEvol.h\
 	     NullShellPatch.h initial_maxwell.h bssnEM_class.h getnpem2.h\
 	     empart.h NullNews.h kodiss.h Parallel_bam.h ricci_gamma.h\
-             initial_null2.h NullShellPatch2.h 
+             initial_null2.h NullShellPatch2.h xh_bssn_rhs_compute.h xh_global_interp.h
              
 $(C++FILES_GPU): Block.h enforce_algebra.h fmisc.h initial_puncture.h macrodef.h\
 	     misc.h monitor.h MyList.h Parallel.h MPatch.h prolongrestrict.h\
@@ -95,7 +96,7 @@ $(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) $(F90FILES) $(F77FILES) $(AHFDOBJS) 
 	$(CLINKER) $(CXXAPPFLAGS) -qopenmp -o $@ $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(LDLIBS)
 	
 ABEGPU: $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES)

AMSS_NCKU_source/makefile.inc

@@ -1,30 +1,32 @@
-## GCC version (commented out)
+## GCC version (commented out)
-## filein  = -I/usr/include -I/usr/lib/x86_64-linux-gnu/mpich/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
+## filein  = -I/usr/include -I/usr/lib/x86_64-linux-gnu/mpich/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
-## filein  = -I/usr/include/ -I/usr/include/openmpi-x86_64/ -I/usr/lib/x86_64-linux-gnu/openmpi/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
+## filein  = -I/usr/include/ -I/usr/include/openmpi-x86_64/ -I/usr/lib/x86_64-linux-gnu/openmpi/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
-## LDLIBS  = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -lmpi -lgfortran
+## LDLIBS  = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -lmpi -lgfortran
-
+
-## Intel oneAPI version with oneMKL (Optimized for performance)
+## Intel oneAPI version with oneMKL (Optimized for performance)
-filein  = -I/usr/include/ -I${MKLROOT}/include
+filein  = -I/usr/include/ -I${MKLROOT}/include
-
+
-## Using OpenMP-threaded MKL for parallel performance
+## Using sequential MKL (OpenMP disabled for better single-threaded performance)
-## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
+## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
-LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lifcore -limf -lpthread -lm -ldl
+LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl
-
+
-## Aggressive optimization flags + PGO Phase 2 (profile-guided optimization)
+## Aggressive optimization flags + PGO Phase 2 (profile-guided optimization)
-## -fprofile-instr-use: use collected profile data to guide optimization decisions
+## -fprofile-instr-use: use collected profile data to guide optimization decisions
-##   (branch prediction, basic block layout, inlining, loop unrolling)
+##   (branch prediction, basic block layout, inlining, loop unrolling)
-PROFDATA     = /home/amss/AMSS-NCKU/pgo_profile/default.profdata
+PROFDATA     = /home/hxh/AMSS-NCKU/pgo_profile/default.profdata
-CXXAPPFLAGS  = -O3 -march=native -fp-model fast=2 -fma -ipo -qopenmp \
+CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma -ipo \
-               -DMPI_STUB -Dfortran3 -Dnewc -I${MKLROOT}/include
+               -fprofile-instr-use=$(PROFDATA) \
-f90appflags  = -O3 -march=native -fp-model fast=2 -fma -ipo -qopenmp \
+               -Dfortran3 -Dnewc -I${MKLROOT}/include
-               -align array64byte -fpp -I${MKLROOT}/include
+f90appflags  = -O3 -xHost -fp-model fast=2 -fma -ipo \
-f90          = ifx
+               -fprofile-instr-use=$(PROFDATA) \
-f77          = ifx
+               -align array64byte -fpp -I${MKLROOT}/include
-CXX          = icpx
+f90          = ifx
-CC           = icx
+f77          = ifx
-CLINKER      = icpx
+CXX          = icpx
-
+CC           = icx
-Cu = nvcc
+CLINKER      = mpiicpx 
-CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
+
-#CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -arch compute_13 -code compute_13,sm_13 -Dfortran3 -Dnewc
+Cu = nvcc
-CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -Dfortran3 -Dnewc
+CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
+#CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -arch compute_13 -code compute_13,sm_13 -Dfortran3 -Dnewc
+CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -Dfortran3 -Dnewc

AMSS_NCKU_source/misc.C

@@ -14,11 +14,7 @@ using namespace std;
 #include <string.h>
 #include <math.h>
 #endif
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "misc.h"
 #include "macrodef.h"

AMSS_NCKU_source/misc.h

@@ -24,11 +24,7 @@ using namespace std;
 #include <complex.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 namespace misc
 {

AMSS_NCKU_source/monitor.h

@@ -20,11 +20,7 @@ using namespace std;
 #endif
 #include <time.h>
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 class monitor
 {

AMSS_NCKU_source/mpi_stub.h

@@ -1,153 +0,0 @@
-#ifndef MPI_STUB_H
-#define MPI_STUB_H
-
-/*
- * MPI Stub Header — single-process shim for AMSS-NCKU ABE solver.
- * Provides all MPI types, constants, and functions used in the codebase
- * as no-ops or trivial implementations for nprocs=1, myrank=0.
- */
-
-#include <cstring>
-#include <cstdlib>
-#include <cstdio>
-#include <time.h>
-
-/* ── Types ─────────────────────────────────────────────────────────── */
-
-typedef int MPI_Comm;
-typedef int MPI_Datatype;
-typedef int MPI_Op;
-typedef int MPI_Request;
-typedef int MPI_Group;
-
-typedef struct MPI_Status {
-    int MPI_SOURCE;
-    int MPI_TAG;
-    int MPI_ERROR;
-} MPI_Status;
-
-/* ── Constants ─────────────────────────────────────────────────────── */
-
-#define MPI_COMM_WORLD  0
-
-#define MPI_INT              1
-#define MPI_DOUBLE           2
-#define MPI_DOUBLE_PRECISION 2
-#define MPI_DOUBLE_INT       3
-
-#define MPI_SUM    1
-#define MPI_MAX    2
-#define MPI_MAXLOC 3
-
-#define MPI_STATUS_IGNORE   ((MPI_Status *)0)
-#define MPI_STATUSES_IGNORE ((MPI_Status *)0)
-
-#define MPI_MAX_PROCESSOR_NAME 256
-
-/* ── Helper: sizeof for MPI_Datatype ──────────────────────────────── */
-
-static inline size_t mpi_stub_sizeof(MPI_Datatype type) {
-    switch (type) {
-        case MPI_INT:        return sizeof(int);
-        case MPI_DOUBLE:     return sizeof(double);
-        case MPI_DOUBLE_INT: return sizeof(double) + sizeof(int);
-        default:             return 0;
-    }
-}
-
-/* ── Init / Finalize ──────────────────────────────────────────────── */
-
-static inline int MPI_Init(int *, char ***) { return 0; }
-static inline int MPI_Finalize() { return 0; }
-
-/* ── Communicator queries ─────────────────────────────────────────── */
-
-static inline int MPI_Comm_rank(MPI_Comm, int *rank) { *rank = 0; return 0; }
-static inline int MPI_Comm_size(MPI_Comm, int *size) { *size = 1; return 0; }
-static inline int MPI_Comm_split(MPI_Comm comm, int, int, MPI_Comm *newcomm) {
-    *newcomm = comm;
-    return 0;
-}
-static inline int MPI_Comm_free(MPI_Comm *) { return 0; }
-
-/* ── Group operations ─────────────────────────────────────────────── */
-
-static inline int MPI_Comm_group(MPI_Comm, MPI_Group *group) {
-    *group = 0;
-    return 0;
-}
-static inline int MPI_Group_translate_ranks(MPI_Group, int n,
-        const int *ranks1, MPI_Group, int *ranks2) {
-    for (int i = 0; i < n; ++i) ranks2[i] = ranks1[i];
-    return 0;
-}
-static inline int MPI_Group_free(MPI_Group *) { return 0; }
-
-/* ── Collective operations ────────────────────────────────────────── */
-
-static inline int MPI_Allreduce(const void *sendbuf, void *recvbuf,
-        int count, MPI_Datatype datatype, MPI_Op, MPI_Comm) {
-    std::memcpy(recvbuf, sendbuf, count * mpi_stub_sizeof(datatype));
-    return 0;
-}
-
-static inline int MPI_Iallreduce(const void *sendbuf, void *recvbuf,
-        int count, MPI_Datatype datatype, MPI_Op, MPI_Comm,
-        MPI_Request *request) {
-    std::memcpy(recvbuf, sendbuf, count * mpi_stub_sizeof(datatype));
-    *request = 0;
-    return 0;
-}
-
-static inline int MPI_Bcast(void *, int, MPI_Datatype, int, MPI_Comm) {
-    return 0;
-}
-
-static inline int MPI_Barrier(MPI_Comm) { return 0; }
-
-/* ── Point-to-point (never reached with nprocs=1) ─────────────────── */
-
-static inline int MPI_Send(const void *, int, MPI_Datatype, int, int, MPI_Comm) {
-    return 0;
-}
-static inline int MPI_Recv(void *, int, MPI_Datatype, int, int, MPI_Comm, MPI_Status *) {
-    return 0;
-}
-static inline int MPI_Isend(const void *, int, MPI_Datatype, int, int, MPI_Comm,
-        MPI_Request *req) {
-    *req = 0;
-    return 0;
-}
-static inline int MPI_Irecv(void *, int, MPI_Datatype, int, int, MPI_Comm,
-        MPI_Request *req) {
-    *req = 0;
-    return 0;
-}
-
-/* ── Completion ───────────────────────────────────────────────────── */
-
-static inline int MPI_Wait(MPI_Request *, MPI_Status *) { return 0; }
-static inline int MPI_Waitall(int, MPI_Request *, MPI_Status *) { return 0; }
-
-/* ── Utility ──────────────────────────────────────────────────────── */
-
-static inline int MPI_Abort(MPI_Comm, int error_code) {
-    std::fprintf(stderr, "MPI_Abort called with error code %d\n", error_code);
-    std::exit(error_code);
-    return 0;
-}
-
-static inline double MPI_Wtime() {
-    struct timespec ts;
-    clock_gettime(CLOCK_MONOTONIC, &ts);
-    return (double)ts.tv_sec + (double)ts.tv_nsec * 1.0e-9;
-}
-
-static inline int MPI_Get_processor_name(char *name, int *resultlen) {
-    const char *stub_name = "localhost";
-    std::strcpy(name, stub_name);
-    *resultlen = (int)std::strlen(stub_name);
-    return 0;
-}
-
-#endif /* MPI_STUB_H */

AMSS_NCKU_source/parameters.h

@@ -24,11 +24,7 @@ using namespace std;
 #include <map.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 namespace parameters
 {

AMSS_NCKU_source/perf.h

@@ -30,11 +30,7 @@ using namespace std;
 #include <sys/time.h>
 #include <sys/resource.h>
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 /* Real time */
 #define TimerSignal SIGALRM

AMSS_NCKU_source/rungekutta4_rout.f90

@@ -109,33 +109,23 @@
 
   if( RK4 == 0 ) then
 
-   !$omp parallel workshare
    f1 = f0 + HLF * dT * f_rhs
-   !$omp end parallel workshare
 
   elseif(RK4 == 1 ) then
 
-   !$omp parallel workshare
    f_rhs = f_rhs + TWO * f1
-   !$omp end parallel workshare
+
-   !$omp parallel workshare
    f1 = f0 + HLF * dT * f1
-   !$omp end parallel workshare
 
   elseif(RK4 == 2 ) then
 
-   !$omp parallel workshare
    f_rhs = f_rhs + TWO * f1
-   !$omp end parallel workshare
+
-   !$omp parallel workshare
    f1 = f0 +       dT * f1
-   !$omp end parallel workshare
 
   elseif( RK4 == 3 ) then
-
+ 
-   !$omp parallel workshare
    f1 = f0 +F1o6 * dT *(f1 + f_rhs)
-   !$omp end parallel workshare
 
   else
 
@@ -144,7 +134,7 @@
 
   endif
 
-  return
+  return   
 
   end subroutine rungekutta4_rout
 !-----------------------------------------------------------------------------
@@ -225,19 +215,15 @@
 
   if( RK4 == 0 ) then
 
-   !$omp parallel workshare
    f1 = f0 + dT * f_rhs
-   !$omp end parallel workshare
 
   else
 
-   !$omp parallel workshare
    f1 = f0 + HLF * dT * (f1+f_rhs)
-   !$omp end parallel workshare
 
   endif
 
-  return
+  return   
 
   end subroutine icn_rout
 !~~~~~~~~~~~~~~~~~~  
@@ -253,10 +239,8 @@
   real*8, dimension(ex(1),ex(2),ex(3)),intent(in) ::f_rhs
   real*8, dimension(ex(1),ex(2),ex(3)),intent(out) ::f1
 
-  !$omp parallel workshare
    f1 = f0 + dT * f_rhs
-  !$omp end parallel workshare
 
-  return
+  return   
 
   end subroutine euler_rout

AMSS_NCKU_source/scalar_class.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "cgh.h"
 #include "ShellPatch.h"

AMSS_NCKU_source/scalarwaves.C

@@ -18,11 +18,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "misc.h"
 #include "microdef.h"

AMSS_NCKU_source/setup.C

@@ -3,11 +3,7 @@
 #include <math.h>
 #include <string.h>
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "util_Table.h"
 #include "cctk.h"

AMSS_NCKU_source/surface_integral.C

@@ -20,11 +20,7 @@ using namespace std;
 #include <math.h>
 #include <map.h>
 #endif
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "misc.h"
 #include "cgh.h"
@@ -2657,6 +2653,7 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
 
   // 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, Comm_here);
 
   double Mass_out = 0;

AMSS_NCKU_source/testNull.C

@@ -18,11 +18,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "misc.h"
 #include "macrodef.h"

AMSS_NCKU_source/testNull2.C

@@ -20,11 +20,7 @@ using namespace std;
 #include <map.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "misc.h"
 #include "macrodef.h"

AMSS_NCKU_source/var.C

@@ -9,11 +9,7 @@
 using namespace std;
 
 #include <time.h>
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "var.h"
 

AMSS_NCKU_source/xh_bssn_rhs_compute.h

@@ -0,0 +1,30 @@
+#include "xh_tool.h"
+
+
+extern "C"
+{
+int f_compute_rhs_bssn_xh(int *ex, double &T, 
+                       double *X, double *Y, double *Z,
+                       double *chi, double *trK,
+                       double *dxx, double *gxy, double *gxz, double *dyy, double *gyz, double *dzz,
+                       double *Axx, double *Axy, double *Axz, double *Ayy, double *Ayz, double *Azz,
+                       double *Gamx, double *Gamy, double *Gamz,
+                       double *Lap, double *betax, double *betay, double *betaz,
+                       double *dtSfx, double *dtSfy, double *dtSfz,
+                       double *chi_rhs, double *trK_rhs,
+                       double *gxx_rhs, double *gxy_rhs, double *gxz_rhs, double *gyy_rhs, double *gyz_rhs, double *gzz_rhs,
+                       double *Axx_rhs, double *Axy_rhs, double *Axz_rhs, double *Ayy_rhs, double *Ayz_rhs, double *Azz_rhs,
+                       double *Gamx_rhs, double *Gamy_rhs, double *Gamz_rhs,
+                       double *Lap_rhs, double *betax_rhs, double *betay_rhs, double *betaz_rhs,
+                       double *dtSfx_rhs, double *dtSfy_rhs, double *dtSfz_rhs,
+                       double *rho, double *Sx, double *Sy, double *Sz,
+                       double *Sxx, double *Sxy, double *Sxz, double *Syy, double *Syz, double *Szz,
+                       double *Gamxxx, double *Gamxxy, double *Gamxxz, double *Gamxyy, double *Gamxyz, double *Gamxzz,
+                       double *Gamyxx, double *Gamyxy, double *Gamyxz, double *Gamyyy, double *Gamyyz, double *Gamyzz,
+                       double *Gamzxx, double *Gamzxy, double *Gamzxz, double *Gamzyy, double *Gamzyz, double *Gamzzz,
+                       double *Rxx, double *Rxy, double *Rxz, double *Ryy, double *Ryz, double *Rzz,
+                       double *ham_Res, double *movx_Res, double *movy_Res, double *movz_Res,
+                       double *Gmx_Res, double *Gmy_Res, double *Gmz_Res,
+                       int &Symmetry, int &Lev, double &eps, int &co
+                       ); 
+}

AMSS_NCKU_source/xh_fdderivs.C

@@ -0,0 +1,311 @@
+#include "xh_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;
+
+
+    /* 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;
+
+    /* 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);
+
+    static thread_local double *fh = NULL;
+    static thread_local 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);
+    const double SoA[3] = { SYM1, SYM2, SYM3 };
+
+    for (int k0 = 0; k0 < ex[2]; ++k0) {
+        for (int j0 = 0; j0 < ex[1]; ++j0) {
+            for (int i0 = 0; i0 < ex[0]; ++i0) {
+                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
+                fh[idx_funcc_F(iF, jF, kF, 2, ex)] = f[idx_func0(i0, j0, k0, ex)];
+            }
+        }
+    }
+
+    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
+    for (int ii = 0; ii <= 2 - 1; ++ii) {
+        const int iF_dst = -ii;       // 0, -1, -2, ...
+        const int iF_src = ii + 1;    // 1, 2, 3, ...
+        for (int kF = 1; kF <= ex[2]; ++kF) {
+            for (int jF = 1; jF <= ex[1]; ++jF) {
+                fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
+                    fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * 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 <= 2 - 1; ++jj) {
+        const int jF_dst = -jj;
+        const int jF_src = jj + 1;
+        for (int kF = 1; kF <= ex[2]; ++kF) {
+            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
+                    fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
+            }
+        }
+    }
+
+    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
+    for (int kk = 0; kk <= 2 - 1; ++kk) {
+        const int kF_dst = -kk;
+        const int kF_src = kk + 1;
+        for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
+            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
+                fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
+                    fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
+            }
+        }
+    }
+    /* 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/xh_fderivs.C

@@ -0,0 +1,145 @@
+#include "xh_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];
+
+    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 thread_local double *fh = NULL;
+    static thread_local 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) <= ex1 && (iF - 2) >= iminF &&
+                    (jF + 2) <= ex2 && (jF - 2) >= jminF &&
+                    (kF + 2) <= ex3 && (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) <= ex1 && (iF - 1) >= iminF &&
+                         (jF + 1) <= ex2 && (jF - 1) >= jminF &&
+                         (kF + 1) <= ex3 && (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/xh_global_interp.C

@@ -0,0 +1,143 @@
+#include "xh_global_interp.h"
+
+/* 你已有的 polin3（由前面 Fortran->C 翻译得到） */
+// void polin3(const double *x1a, const double *x2a, const double *x3a,
+//             const double *ya, double x1, double x2, double x3,
+//             double *y, double *dy, int ordn);
+
+/*
+  你需要提供 decide3d 的实现（这里仅声明）。
+  Fortran: decide3d(ex,f,f,cxB,cxT,SoA,ya,ORDN,Symmetry)
+  - ex: [3]
+  - f: 三维场（列主序）
+  - cxB/cxT: 3 维窗口起止（Fortran 1-based，且可能 <=0）
+  - SoA: [3]
+  - ya: 输出 ORDN^3 的采样块（列主序）
+  - return: 0 表示正常；非 0 表示错误（对应 Fortran logical = .true.）
+*/
+// int xh_decide3d(const int ex[3],
+//              const double *f_in,
+//              const double *f_in2,   /* Fortran 里传了 f,f；按原样保留 */
+//              const int cxB[3],
+//              const int cxT[3],
+//              const double SoA[3],
+//              double *ya,
+//              int ordn,
+//              int symmetry);
+
+/* 把 Fortran 1-based 下标 idxF (可为负/0) 映射到 C 的 X[idx] 访问（只用于 X(2-cxB) 这种表达式） */
+static inline double X_at_FortranIndex(const double *X, int idxF) {
+    /* Fortran: X(1) 对应 C: X[0] */
+    return X[idxF - 1];
+}
+
+/* Fortran 整数截断：idint 在这里可用 (int) 实现（对正数等价于 floor） */
+static inline int idint_like(double a) {
+    return (int)a;  /* trunc toward zero */
+}
+
+/* global_interp 的 C 版 */
+void xh_global_interp(const int ex[3],
+                   const double *X, const double *Y, const double *Z,
+                   const double *f,                 /* f(ex1,ex2,ex3) column-major */
+                   double &f_int,
+                   double x1, double y1, double z1,
+                   int ORDN,
+                   const double SoA[3],
+                   int symmetry)
+{
+    // double time1, time2;
+    // time1 = omp_get_wtime();
+    enum { NO_SYMM = 0, EQUATORIAL = 1, OCTANT = 2 };
+
+    int j, m;
+    int imin, jmin, kmin;
+    int cxB[3], cxT[3], cxI[3], cmin[3], cmax[3];
+    double cx[3];
+    double dX, dY, dZ, ddy;
+
+    /* Fortran: imin=lbound(f,1) ... 通常是 1；这里按 1 处理 */
+    imin = 1; jmin = 1; kmin = 1;
+
+    dX = X_at_FortranIndex(X, imin + 1) - X_at_FortranIndex(X, imin);
+    dY = X_at_FortranIndex(Y, jmin + 1) - X_at_FortranIndex(Y, jmin);
+    dZ = X_at_FortranIndex(Z, kmin + 1) - X_at_FortranIndex(Z, kmin);
+
+    /* x1a(j) = (j-1)*1.0  (j=1..ORDN) */
+    double *x1a = (double*)malloc((size_t)ORDN * sizeof(double));
+    double *ya  = (double*)malloc((size_t)ORDN * (size_t)ORDN * (size_t)ORDN * sizeof(double));
+    if (!x1a || !ya) {
+        fprintf(stderr, "global_interp: malloc failed\n");
+        exit(1);
+    }
+    for (j = 0; j < ORDN; j++) x1a[j] = (double)j;
+
+    /* cxI(m) = idint((p - P(1))/dP + 0.4) + 1  (Fortran 1-based) */
+    cxI[0] = idint_like((x1 - X_at_FortranIndex(X, 1)) / dX + 0.4) + 1;
+    cxI[1] = idint_like((y1 - X_at_FortranIndex(Y, 1)) / dY + 0.4) + 1;
+    cxI[2] = idint_like((z1 - X_at_FortranIndex(Z, 1)) / dZ + 0.4) + 1;
+
+    /* cxB = cxI - ORDN/2 + 1 ; cxT = cxB + ORDN - 1 */
+    int half = ORDN / 2;  /* Fortran 整数除法 */
+    for (m = 0; m < 3; m++) {
+        cxB[m] = cxI[m] - half + 1;
+        cxT[m] = cxB[m] + ORDN - 1;
+    }
+
+    /* cmin=1; cmax=ex */
+    cmin[0] = cmin[1] = cmin[2] = 1;
+    cmax[0] = ex[0];
+    cmax[1] = ex[1];
+    cmax[2] = ex[2];
+
+    /* 对称边界时允许 cxB 为负/0（与 Fortran 一致） */
+    if (symmetry == OCTANT && fabs(X_at_FortranIndex(X, 1)) < dX) cmin[0] = -half + 2;
+    if (symmetry == OCTANT && fabs(X_at_FortranIndex(Y, 1)) < dY) cmin[1] = -half + 2;
+    if (symmetry != NO_SYMM && fabs(X_at_FortranIndex(Z, 1)) < dZ) cmin[2] = -half + 2;
+
+    /* 夹紧窗口 [cxB,cxT] 到 [cmin,cmax] */
+    for (m = 0; m < 3; m++) {
+        if (cxB[m] < cmin[m]) {
+            cxB[m] = cmin[m];
+            cxT[m] = cxB[m] + ORDN - 1;
+        }
+        if (cxT[m] > cmax[m]) {
+            cxT[m] = cmax[m];
+            cxB[m] = cxT[m] + 1 - ORDN;
+        }
+    }
+
+    /*
+      cx(m) 的计算：如果 cxB>0:
+        cx = (p - P(cxB))/dP
+      else:
+        cx = (p + P(2 - cxB))/dP
+      注意这里的 cxB 是 Fortran 1-based 语义下的整数，可能 <=0。
+    */
+    if (cxB[0] > 0) cx[0] = (x1 - X_at_FortranIndex(X, cxB[0])) / dX;
+    else           cx[0] = (x1 + X_at_FortranIndex(X, 2 - cxB[0])) / dX;
+
+    if (cxB[1] > 0) cx[1] = (y1 - X_at_FortranIndex(Y, cxB[1])) / dY;
+    else           cx[1] = (y1 + X_at_FortranIndex(Y, 2 - cxB[1])) / dY;
+
+    if (cxB[2] > 0) cx[2] = (z1 - X_at_FortranIndex(Z, cxB[2])) / dZ;
+    else           cx[2] = (z1 + X_at_FortranIndex(Z, 2 - cxB[2])) / dZ;
+
+    /* decide3d: 填充 ya(1:ORDN,1:ORDN,1:ORDN) */
+    if (xh_decide3d(ex, f, f, cxB, cxT, SoA, ya, ORDN, symmetry)) {
+        printf("global_interp position: %g %g %g\n", x1, y1, z1);
+        printf("data range: %g %g   %g %g   %g %g\n",
+               X_at_FortranIndex(X, 1), X_at_FortranIndex(X, ex[0]),
+               X_at_FortranIndex(Y, 1), X_at_FortranIndex(Y, ex[1]),
+               X_at_FortranIndex(Z, 1), X_at_FortranIndex(Z, ex[2]));
+        exit(1);
+    }
+
+    /* polin3(x1a,x1a,x1a,ya,cx(1),cx(2),cx(3),f_int,ddy,ORDN) */
+    xh_polin3(x1a, x1a, x1a, ya, cx[0], cx[1], cx[2], f_int, &ddy, ORDN);
+ 
+    free(x1a);
+    free(ya);
+    // time2 = omp_get_wtime();
+    // printf("Time for global_interp: %lf seconds\n", time2 - time1);
+}

AMSS_NCKU_source/xh_global_interp.h

@@ -0,0 +1,12 @@
+#include "xh_po.h"
+
+extern "C"{
+    void xh_global_interp(const int ex[3],
+                    const double *X, const double *Y, const double *Z,
+                    const double *f,                 /* f(ex1,ex2,ex3) column-major */
+                    double &f_int,
+                    double x1, double y1, double z1,
+                    int ORDN,
+                    const double SoA[3],
+                    int symmetry);
+}

AMSS_NCKU_source/xh_kodiss.C

@@ -0,0 +1,116 @@
+#include "xh_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;
+
+    static thread_local double *fh = NULL;
+    static thread_local size_t cap = 0;
+
+    if (fh_size > cap) {
+        free(fh);
+        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
+        cap = fh_size;
+    }
+    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/xh_lopsided.C

@@ -0,0 +1,262 @@
+#include "xh_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;
+
+    static thread_local double *fh = NULL;
+    static thread_local size_t cap = 0;
+
+    if (fh_size > cap) {
+        free(fh);
+        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
+        cap = fh_size;
+    }
+    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/xh_po.h

@@ -0,0 +1,19 @@
+#include <stdio.h>
+#include <stdlib.h>
+#include <math.h>
+#include <omp.h>
+int xh_decide3d(const int ex[3],
+             const double *f,
+             const double *fpi,   /* 这里未用，Fortran 也没用到 */
+             const int cxB[3],
+             const int cxT[3],
+             const double SoA[3],
+             double *ya,
+             int ordn,
+             int Symmetry);
+void xh_polint(const double *xa, const double *ya, double x,
+                   double *y, double *dy, int ordn);
+
+void xh_polin3(const double *x1a, const double *x2a, const double *x3a,
+                   const double *ya, double x1, double x2, double x3,
+                   double &y, double *dy, int ordn);

AMSS_NCKU_source/xh_polint3.C

@@ -0,0 +1,258 @@
+#include "xh_po.h"
+/*
+  ex[0..2]  == Fortran ex(1:3)
+  cxB/cxT   == Fortran cxB(1:3), cxT(1:3)  (可能 <=0)
+  SoA[0..2] == Fortran SoA(1:3)
+  f, fpi    == Fortran f(ex1,ex2,ex3) column-major (1-based in formulas)
+  ya        == 连续内存，尺寸为 ORDN^3，对应 Fortran ya(cxB1:cxT1, cxB2:cxT2, cxB3:cxT3)
+              但注意：我们用 offset 映射把 Fortran 的 i/j/k 坐标写进去。
+*/
+
+static inline int imax(int a, int b) { return a > b ? a : b; }
+static inline int imin(int a, int b) { return a < b ? a : b; }
+
+/* f(i,j,k): Fortran column-major, i/j/k are Fortran 1-based in [1..ex] */
+#define F(i,j,k) f[((i)-1) + ex1 * (((j)-1) + ex2 * ((k)-1))]
+
+/*
+  ya(i,j,k): i in [cxB1..cxT1], j in [cxB2..cxT2], k in [cxB3..cxT3]
+  我们把它映射到 C 的 0..ORDN-1 立方体：
+    ii = i - cxB1
+    jj = j - cxB2
+    kk = k - cxB3
+  并按 column-major 存储（与 Fortran 一致，方便直接喂给你的 polin3）
+*/
+#define YA(i,j,k) ya[((i)-cxB1) + ordn * (((j)-cxB2) + ordn * ((k)-cxB3))]
+
+int xh_decide3d(const int ex[3],
+             const double *f,
+             const double *fpi,   /* 这里未用，Fortran 也没用到 */
+             const int cxB[3],
+             const int cxT[3],
+             const double SoA[3],
+             double *ya,
+             int ordn,
+             int Symmetry)         /* Symmetry 在 decide3d 里也没直接用 */
+{
+    (void)fpi;
+    (void)Symmetry;
+
+    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
+
+    int fmin1[3], fmin2[3], fmax1[3], fmax2[3];
+    int i, j, k, m;
+
+    int gont = 0;
+
+    /* 方便 YA 宏使用 */
+    const int cxB1 = cxB[0], cxB2 = cxB[1], cxB3 = cxB[2];
+
+    for (m = 0; m < 3; m++) {
+        /* Fortran 的 “NaN 检查” 在整数上基本无意义，这里不额外处理 */
+
+        fmin1[m] = imax(1, cxB[m]);
+        fmax1[m] = cxT[m];
+
+        fmin2[m] = cxB[m];
+        fmax2[m] = imin(0, cxT[m]);
+
+        /* if((fmin1<=fmax1) and (fmin1<1 or fmax1>ex)) gont=true */
+        if ((fmin1[m] <= fmax1[m]) && (fmin1[m] < 1 || fmax1[m] > ex[m])) gont = 1;
+
+        /* if((fmin2<=fmax2) and (2-fmax2<1 or 2-fmin2>ex)) gont=true */
+        if ((fmin2[m] <= fmax2[m]) && (2 - fmax2[m] < 1 || 2 - fmin2[m] > ex[m])) gont = 1;
+    }
+
+    if (gont) {
+        printf("error in decide3d\n");
+        printf("cxB: %d %d %d   cxT: %d %d %d   ex: %d %d %d\n",
+               cxB[0], cxB[1], cxB[2], cxT[0], cxT[1], cxT[2], ex[0], ex[1], ex[2]);
+        printf("fmin1: %d %d %d  fmax1: %d %d %d\n",
+               fmin1[0], fmin1[1], fmin1[2], fmax1[0], fmax1[1], fmax1[2]);
+        printf("fmin2: %d %d %d  fmax2: %d %d %d\n",
+               fmin2[0], fmin2[1], fmin2[2], fmax2[0], fmax2[1], fmax2[2]);
+        return 1;
+    }
+
+    /* ---- 填充 ya：完全照 Fortran 两大块循环写 ---- */
+
+    /* k in [fmin1(3)..fmax1(3)] */
+    for (k = fmin1[2]; k <= fmax1[2]; k++) {
+
+        /* j in [fmin1(2)..fmax1(2)] */
+        for (j = fmin1[1]; j <= fmax1[1]; j++) {
+
+            /* i in [fmin1(1)..fmax1(1)] : ya(i,j,k)=f(i,j,k) */
+            for (i = fmin1[0]; i <= fmax1[0]; i++) {
+                YA(i, j, k) = F(i, j, k);
+            }
+
+            /* i in [fmin2(1)..fmax2(1)] : ya(i,j,k)=f(2-i,j,k)*SoA(1) */
+            for (i = fmin2[0]; i <= fmax2[0]; i++) {
+                YA(i, j, k) = F(2 - i, j, k) * SoA[0];
+            }
+        }
+
+        /* j in [fmin2(2)..fmax2(2)] */
+        for (j = fmin2[1]; j <= fmax2[1]; j++) {
+
+            /* i in [fmin1(1)..fmax1(1)] : ya(i,j,k)=f(i,2-j,k)*SoA(2) */
+            for (i = fmin1[0]; i <= fmax1[0]; i++) {
+                YA(i, j, k) = F(i, 2 - j, k) * SoA[1];
+            }
+
+            /* i in [fmin2(1)..fmax2(1)] : ya=f(2-i,2-j,k)*SoA(1)*SoA(2) */
+            for (i = fmin2[0]; i <= fmax2[0]; i++) {
+                YA(i, j, k) = F(2 - i, 2 - j, k) * SoA[0] * SoA[1];
+            }
+        }
+    }
+
+    /* k in [fmin2(3)..fmax2(3)] */
+    for (k = fmin2[2]; k <= fmax2[2]; k++) {
+
+        /* j in [fmin1(2)..fmax1(2)] */
+        for (j = fmin1[1]; j <= fmax1[1]; j++) {
+
+            /* i in [fmin1(1)..fmax1(1)] : ya=f(i,j,2-k)*SoA(3) */
+            for (i = fmin1[0]; i <= fmax1[0]; i++) {
+                YA(i, j, k) = F(i, j, 2 - k) * SoA[2];
+            }
+
+            /* i in [fmin2(1)..fmax2(1)] : ya=f(2-i,j,2-k)*SoA(1)*SoA(3) */
+            for (i = fmin2[0]; i <= fmax2[0]; i++) {
+                YA(i, j, k) = F(2 - i, j, 2 - k) * SoA[0] * SoA[2];
+            }
+        }
+
+        /* j in [fmin2(2)..fmax2(2)] */
+        for (j = fmin2[1]; j <= fmax2[1]; j++) {
+
+            /* i in [fmin1(1)..fmax1(1)] : ya=f(i,2-j,2-k)*SoA(2)*SoA(3) */
+            for (i = fmin1[0]; i <= fmax1[0]; i++) {
+                YA(i, j, k) = F(i, 2 - j, 2 - k) * SoA[1] * SoA[2];
+            }
+
+            /* i in [fmin2(1)..fmax2(1)] : ya=f(2-i,2-j,2-k)*SoA1*SoA2*SoA3 */
+            for (i = fmin2[0]; i <= fmax2[0]; i++) {
+                YA(i, j, k) = F(2 - i, 2 - j, 2 - k) * SoA[0] * SoA[1] * SoA[2];
+            }
+        }
+    }
+
+    return 0;
+}
+
+#undef F
+#undef YA
+
+void xh_polint(const double *xa, const double *ya, double x,
+                   double *y, double *dy, int ordn)
+{
+    int i, m, ns, n_m;
+    double dif, dift, hp, h, den_val;
+
+    double *c  = (double*)malloc((size_t)ordn * sizeof(double));
+    double *d  = (double*)malloc((size_t)ordn * sizeof(double));
+    double *ho = (double*)malloc((size_t)ordn * sizeof(double));
+    if (!c || !d || !ho) {
+        fprintf(stderr, "polint: malloc failed\n");
+        exit(1);
+    }
+
+    for (i = 0; i < ordn; i++) {
+        c[i]  = ya[i];
+        d[i]  = ya[i];
+        ho[i] = xa[i] - x;
+    }
+
+    ns  = 0;                      // Fortran ns=1 -> C ns=0
+    dif = fabs(x - xa[0]);
+
+    for (i = 1; i < ordn; i++) {
+        dift = fabs(x - xa[i]);
+        if (dift < dif) {
+            ns  = i;
+            dif = dift;
+        }
+    }
+
+    *y  = ya[ns];
+    ns -= 1;                      // Fortran ns=ns-1
+
+    for (m = 1; m <= ordn - 1; m++) {
+        n_m = ordn - m;           // number of active points this round
+        for (i = 0; i < n_m; i++) {
+            hp      = ho[i];
+            h       = ho[i + m];
+            den_val = hp - h;
+
+            if (den_val == 0.0) {
+                fprintf(stderr, "failure in polint for point %g\n", x);
+                fprintf(stderr, "with input points xa: ");
+                for (int t = 0; t < ordn; t++) fprintf(stderr, "%g ", xa[t]);
+                fprintf(stderr, "\n");
+                exit(1);
+            }
+
+            den_val = (c[i + 1] - d[i]) / den_val;
+            d[i]    = h  * den_val;
+            c[i]    = hp * den_val;
+        }
+
+        // Fortran: if (2*ns < n_m) then dy=c(ns+1) else dy=d(ns); ns=ns-1
+        // Here ns is C-indexed and can be -1; logic still matches.
+        if (2 * ns < n_m) {
+            *dy = c[ns + 1];
+        } else {
+            *dy = d[ns];
+            ns -= 1;
+        }
+        *y += *dy;
+    }
+
+    free(c);
+    free(d);
+    free(ho);
+}
+
+void xh_polin3(const double *x1a, const double *x2a, const double *x3a,
+                   const double *ya, double x1, double x2, double x3,
+                   double &y, double *dy, int ordn)
+{
+    // ya is ordn x ordn x ordn in Fortran layout (column-major)
+    #define YA3(i,j,k) ya[(i) + ordn*((j) + ordn*(k))]  // i,j,k: 0..ordn-1
+
+    int j, k;
+    double dy_temp;
+
+    // yatmp(j,k) in Fortran code is ordn x ordn, treat column-major:
+    // yatmp(j,k) -> yatmp[j + ordn*k]
+    double *yatmp = (double*)malloc((size_t)ordn * (size_t)ordn * sizeof(double));
+    double *ymtmp = (double*)malloc((size_t)ordn * sizeof(double));
+    if (!yatmp || !ymtmp) {
+        fprintf(stderr, "polin3: malloc failed\n");
+        exit(1);
+    }
+    #define YAT(j,k) yatmp[(j) + ordn*(k)]
+
+    for (k = 0; k < ordn; k++) {
+        for (j = 0; j < ordn; j++) {
+            // call polint(x1a, ya(:,j,k), x1, yatmp(j,k), dy_temp)
+            // ya(:,j,k) contiguous: base is &YA3(0,j,k)
+            xh_polint(x1a, &YA3(0, j, k), x1, &YAT(j, k), &dy_temp, ordn);
+        }
+    }
+
+    for (k = 0; k < ordn; k++) {
+        // call polint(x2a, yatmp(:,k), x2, ymtmp(k), dy_temp)
+        xh_polint(x2a, &YAT(0, k), x2, &ymtmp[k], &dy_temp, ordn);
+    }
+
+    xh_polint(x3a, ymtmp, x3, &y, dy, ordn);
+
+    #undef YAT
+    free(yatmp);
+    free(ymtmp);
+    #undef YA3
+}

AMSS_NCKU_source/xh_share_func.h

@@ -0,0 +1,338 @@
+#ifndef SHARE_FUNC_H
+#define SHARE_FUNC_H
+
+#include <stdlib.h>
+#include <stddef.h>
+#include <math.h>
+#include <stdio.h>
+#include <omp.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
+
+/* 你已有的函数：idx_ex / idx_fh_F_ord2 以及 fh 的布局 */
+static inline void fdderivs_xh(
+    int i0, int j0, int k0,
+    const int ex[3],
+    const double *fh,
+    int iminF, int jminF, int kminF,
+    int imaxF, int jmaxF, int kmaxF,
+    double Fdxdx, double Fdydy, double Fdzdz,
+    double Fdxdy, double Fdxdz, double Fdydz,
+    double Sdxdx, double Sdydy, double Sdzdz,
+    double Sdxdy, double Sdxdz, double Sdydz,
+    double *fxx, double *fxy, double *fxz,
+    double *fyy, double *fyz, double *fzz
+){
+    const double F8  = 8.0;
+    const double F16 = 16.0;
+    const double F30 = 30.0;
+    const double TWO = 2.0;
+
+    const int iF = i0 + 1;
+    const int jF = j0 + 1;
+    const int kF = k0 + 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 */
+        {
+            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;
+    }
+}

AMSS_NCKU_source/xh_tool.h

@@ -0,0 +1,27 @@
+#include "xh_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_TwoPuncture_input.py

@@ -1,195 +1,195 @@
-
+
-##################################################################
+##################################################################
-##
+##
-## Generate input file for the AMSS-NCKU TwoPuncture routine
+## Generate input file for the AMSS-NCKU TwoPuncture routine
-## Author: Xiaoqu
+## Author: Xiaoqu
-## 2024/11/27
+## 2024/11/27
-## Modified: 2025/01/21
+## Modified: 2025/01/21
-##
+##
-##################################################################
+##################################################################
-
+
-
+
-import numpy
+import numpy
-import os 
+import os 
-import AMSS_NCKU_Input as input_data          ## import program input file
+import AMSS_NCKU_Input as input_data          ## import program input file
-import math
+import math
-
+
-##################################################################
+##################################################################
-
+
-## Import binary black hole coordinates
+## Import binary black hole coordinates
-
+
-## If puncture data are set to "Automatically-BBH", compute initial orbital
+## If puncture data are set to "Automatically-BBH", compute initial orbital
-## positions and momenta according to the settings and rescale the total
+## positions and momenta according to the settings and rescale the total
-## binary mass to M = 1 for TwoPuncture input.
+## binary mass to M = 1 for TwoPuncture input.
-
+
-if (input_data.puncture_data_set == "Automatically-BBH" ):
+if (input_data.puncture_data_set == "Automatically-BBH" ):
-
+
-    mass_ratio_Q = input_data.parameter_BH[0,0] / input_data.parameter_BH[1,0]
+    mass_ratio_Q = input_data.parameter_BH[0,0] / input_data.parameter_BH[1,0]
-    
+    
-    if ( mass_ratio_Q < 1.0 ):
+    if ( mass_ratio_Q < 1.0 ):
-        print( " mass_ratio setting is wrong, please reset!!!" ) 
+        print( " mass_ratio setting is wrong, please reset!!!" ) 
-        print( " set the first black hole to be the larger mass!!!" ) 
+        print( " set the first black hole to be the larger mass!!!" ) 
-        
+        
-    BBH_M1 = mass_ratio_Q / ( 1.0 + mass_ratio_Q )
+    BBH_M1 = mass_ratio_Q / ( 1.0 + mass_ratio_Q )
-    BBH_M2 = 1.0          / ( 1.0 + mass_ratio_Q )
+    BBH_M2 = 1.0          / ( 1.0 + mass_ratio_Q )
-
+
-    ## Load binary separation and eccentricity
+    ## Load binary separation and eccentricity
-    distance = input_data.Distance
+    distance = input_data.Distance
-    e0       = input_data.e0
+    e0       = input_data.e0
-    
+    
-    ## Set binary component coordinates
+    ## Set binary component coordinates
-    ## Note: place the larger-mass black hole at positive y and the
+    ## Note: place the larger-mass black hole at positive y and the
-    ## smaller-mass black hole at negative y to follow Brugmann's convention
+    ## smaller-mass black hole at negative y to follow Brugmann's convention
-    ## Coordinate convention for TwoPuncture input (Brugmann):
+    ## Coordinate convention for TwoPuncture input (Brugmann):
-    ##  -----0-----> y
+    ##  -----0-----> y
-    ##   -      +     
+    ##   -      +     
-
+
-
+
-    BBH_X1 = 0.0
+    BBH_X1 = 0.0
-    BBH_Y1 = distance * 1.0 / ( 1 + mass_ratio_Q )
+    BBH_Y1 = distance * 1.0 / ( 1 + mass_ratio_Q )
-    BBH_Z1 = 0.0
+    BBH_Z1 = 0.0
-
+
-    BBH_X2 = 0.0
+    BBH_X2 = 0.0
-    BBH_Y2 = - distance * mass_ratio_Q / ( 1 + mass_ratio_Q )
+    BBH_Y2 = - distance * mass_ratio_Q / ( 1 + mass_ratio_Q )
-    BBH_Z2 = 0.0
+    BBH_Z2 = 0.0
-    
+    
-    position_BH    = numpy.zeros( (2,3) )
+    position_BH    = numpy.zeros( (2,3) )
-    position_BH[0] = [BBH_X1, BBH_Y1, BBH_Z1]
+    position_BH[0] = [BBH_X1, BBH_Y1, BBH_Z1]
-    position_BH[1] = [BBH_X2, BBH_Y2, BBH_Z2]
+    position_BH[1] = [BBH_X2, BBH_Y2, BBH_Z2]
-    
+    
-    ## Optionally load momentum from parameter file
+    ## Optionally load momentum from parameter file
-    ## momentum_BH  = input_data.momentum_BH
+    ## momentum_BH  = input_data.momentum_BH
-
+
-    ## Compute orbital momenta using the BBH_orbit_parameter module
+    ## Compute orbital momenta using the BBH_orbit_parameter module
-    import BBH_orbit_parameter 
+    import BBH_orbit_parameter 
-
+
-    ## Use the dimensionless spins defined in BBH_orbit_parameter
+    ## Use the dimensionless spins defined in BBH_orbit_parameter
-    BBH_S1 = BBH_orbit_parameter.S1
+    BBH_S1 = BBH_orbit_parameter.S1
-    BBH_S2 = BBH_orbit_parameter.S2
+    BBH_S2 = BBH_orbit_parameter.S2
-
+
-    momentum_BH = numpy.zeros( (2,3) )
+    momentum_BH = numpy.zeros( (2,3) )
-
+
-    ## Compute initial orbital momenta from post-Newtonian-based routine
+    ## Compute initial orbital momenta from post-Newtonian-based routine
-    momentum_BH[0], momentum_BH[1] = BBH_orbit_parameter.generate_BBH_orbit_parameters( BBH_M1, BBH_M2, BBH_S1, BBH_S2, distance, e0 ) 
+    momentum_BH[0], momentum_BH[1] = BBH_orbit_parameter.generate_BBH_orbit_parameters( BBH_M1, BBH_M2, BBH_S1, BBH_S2, distance, e0 ) 
-
+
-    ## Set spin angular momentum input for TwoPuncture
+    ## Set spin angular momentum input for TwoPuncture
-    ## Note: these are dimensional angular momenta (not dimensionless); multiply
+    ## Note: these are dimensional angular momenta (not dimensionless); multiply
-    ## by the square of the mass scale. Here masses are scaled so total M=1.
+    ## by the square of the mass scale. Here masses are scaled so total M=1.
-    ## angular_momentum_BH = input_data.angular_momentum_BH
+    ## angular_momentum_BH = input_data.angular_momentum_BH
-
+
-    angular_momentum_BH = numpy.zeros( (input_data.puncture_number, 3) )  
+    angular_momentum_BH = numpy.zeros( (input_data.puncture_number, 3) )  
-    
+    
-    for i in range(input_data.puncture_number):
+    for i in range(input_data.puncture_number):
-    
+    
-        if ( input_data.Symmetry == "equatorial-symmetry" ):
+        if ( input_data.Symmetry == "equatorial-symmetry" ):
-            if i==0:
+            if i==0:
-                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M1**2) * input_data.parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M1**2) * input_data.parameter_BH[i,2] ]
-            elif i==1:
+            elif i==1:
-                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M2**2) * input_data.parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M2**2) * input_data.parameter_BH[i,2] ]
-            else:
+            else:
-                angular_momentum_BH[i] = [ 0.0, 0.0, (input_data.parameter_BH[i,0]**2) * input_data.parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (input_data.parameter_BH[i,0]**2) * input_data.parameter_BH[i,2] ]
-                
+                
-        elif ( input_data.Symmetry == "no-symmetry" ):
+        elif ( input_data.Symmetry == "no-symmetry" ):
-        
+        
-            if i==0:
+            if i==0:
-                angular_momentum_BH[i] = (BBH_M1**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (BBH_M1**2) * input_data.dimensionless_spin_BH[i]
-            elif i==1:
+            elif i==1:
-                angular_momentum_BH[i] = (BBH_M1**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (BBH_M1**2) * input_data.dimensionless_spin_BH[i]
-            else:
+            else:
-                angular_momentum_BH[i] = (input_data.parameter_BH[i,0]**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (input_data.parameter_BH[i,0]**2) * input_data.dimensionless_spin_BH[i]
-            
+            
-    #######################################################
+    #######################################################
-
+
-## If puncture data are set to "Manually", read initial positions and momenta
+## If puncture data are set to "Manually", read initial positions and momenta
-## directly from the parameter file. Rescale the total binary mass to M=1
+## directly from the parameter file. Rescale the total binary mass to M=1
-## for TwoPuncture input.
+## for TwoPuncture input.
-
+
-elif (input_data.puncture_data_set == "Manually" ):
+elif (input_data.puncture_data_set == "Manually" ):
-
+
-    mass_ratio_Q = input_data.parameter_BH[0,0] / input_data.parameter_BH[1,0]
+    mass_ratio_Q = input_data.parameter_BH[0,0] / input_data.parameter_BH[1,0]
-    
+    
-    if ( mass_ratio_Q < 1.0 ):
+    if ( mass_ratio_Q < 1.0 ):
-        print( " mass_ratio setting is wrong, please reset!!!" ) 
+        print( " mass_ratio setting is wrong, please reset!!!" ) 
-        print( " set the first black hole to be the larger mass!!!" ) 
+        print( " set the first black hole to be the larger mass!!!" ) 
-        
+        
-    BBH_M1 = mass_ratio_Q / ( 1.0 + mass_ratio_Q )
+    BBH_M1 = mass_ratio_Q / ( 1.0 + mass_ratio_Q )
-    BBH_M2 = 1.0          / ( 1.0 + mass_ratio_Q )
+    BBH_M2 = 1.0          / ( 1.0 + mass_ratio_Q )
-    
+    
-    parameter_BH = input_data.parameter_BH
+    parameter_BH = input_data.parameter_BH
-    position_BH  = input_data.position_BH
+    position_BH  = input_data.position_BH
-    momentum_BH  = input_data.momentum_BH
+    momentum_BH  = input_data.momentum_BH
-    
+    
-    ## Compute binary separation and load eccentricity
+    ## Compute binary separation and load eccentricity
-    distance = math.sqrt( (position_BH[0,0]-position_BH[1,0])**2 + (position_BH[0,1]-position_BH[1,1])**2 + (position_BH[0,2]-position_BH[1,2])**2 )
+    distance = math.sqrt( (position_BH[0,0]-position_BH[1,0])**2 + (position_BH[0,1]-position_BH[1,1])**2 + (position_BH[0,2]-position_BH[1,2])**2 )
-    e0       = input_data.e0
+    e0       = input_data.e0
-
+
-    ## Set spin angular momentum input for TwoPuncture
+    ## Set spin angular momentum input for TwoPuncture
-    ## Note: these are dimensional angular momenta (not dimensionless); multiply
+    ## Note: these are dimensional angular momenta (not dimensionless); multiply
-    ## by the square of the mass scale. Here masses are scaled so total M=1.
+    ## by the square of the mass scale. Here masses are scaled so total M=1.
-
+
-    ## angular_momentum_BH = input_data.angular_momentum_BH
+    ## angular_momentum_BH = input_data.angular_momentum_BH
-
+
-    angular_momentum_BH = numpy.zeros( (input_data.puncture_number, 3) )   
+    angular_momentum_BH = numpy.zeros( (input_data.puncture_number, 3) )   
-
+
-        
+        
-    for i in range(input_data.puncture_number):
+    for i in range(input_data.puncture_number):
-    
+    
-        if ( input_data.Symmetry == "equatorial-symmetry" ):
+        if ( input_data.Symmetry == "equatorial-symmetry" ):
-            if i==0:
+            if i==0:
-                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M1**2) * parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M1**2) * parameter_BH[i,2] ]
-            elif i==1:
+            elif i==1:
-                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M2**2) * parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (BBH_M2**2) * parameter_BH[i,2] ]
-            else:
+            else:
-                angular_momentum_BH[i] = [ 0.0, 0.0, (parameter_BH[i,0]**2) * parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (parameter_BH[i,0]**2) * parameter_BH[i,2] ]
-                
+                
-        elif ( input_data.Symmetry == "no-symmetry" ):
+        elif ( input_data.Symmetry == "no-symmetry" ):
-            if i==0:
+            if i==0:
-                angular_momentum_BH[i] = (BBH_M1**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (BBH_M1**2) * input_data.dimensionless_spin_BH[i]
-            elif i==1:
+            elif i==1:
-                angular_momentum_BH[i] = (BBH_M2**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (BBH_M2**2) * input_data.dimensionless_spin_BH[i]
-            else:
+            else:
-                angular_momentum_BH[i] = (parameter_BH[i,0]**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (parameter_BH[i,0]**2) * input_data.dimensionless_spin_BH[i]
-
+
-
+
-##################################################################
+##################################################################
-
+
-## Write the above binary data into the AMSS-NCKU TwoPuncture input file
+## Write the above binary data into the AMSS-NCKU TwoPuncture input file
-    
+    
-def generate_AMSSNCKU_TwoPuncture_input(): 
+def generate_AMSSNCKU_TwoPuncture_input(): 
-
+
-    file1 = open( os.path.join(input_data.File_directory, "AMSS-NCKU-TwoPuncture.input"), "w") 
+    file1 = open( os.path.join(input_data.File_directory, "AMSS-NCKU-TwoPuncture.input"), "w") 
-
+
-    print( "#  -----0-----> y",                           file=file1 )
+    print( "#  -----0-----> y",                           file=file1 )
-    print( "#   -      +      use Brugmann's convention", file=file1 )
+    print( "#   -      +      use Brugmann's convention", file=file1 )
-    print( "ABE::mp        = -1.0",                       file=file1 )   ## use negative values so the code solves for bare masses automatically
+    print( "ABE::mp        = -1.0",                       file=file1 )   ## use negative values so the code solves for bare masses automatically
-    print( "ABE::mm        = -1.0",                       file=file1 )
+    print( "ABE::mm        = -1.0",                       file=file1 )
-    print( "# b            =  D/2",                       file=file1 )
+    print( "# b            =  D/2",                       file=file1 )
-    print( "ABE::b         = ", ( distance / 2.0 ),       file=file1 )
+    print( "ABE::b         = ", ( distance / 2.0 ),       file=file1 )
-    print( "ABE::P_plusx   = ", momentum_BH[0,0],         file=file1 )
+    print( "ABE::P_plusx   = ", momentum_BH[0,0],         file=file1 )
-    print( "ABE::P_plusy   = ", momentum_BH[0,1],         file=file1 )
+    print( "ABE::P_plusy   = ", momentum_BH[0,1],         file=file1 )
-    print( "ABE::P_plusz   = ", momentum_BH[0,2],         file=file1 )
+    print( "ABE::P_plusz   = ", momentum_BH[0,2],         file=file1 )
-    print( "ABE::P_minusx  = ", momentum_BH[1,0],         file=file1 )
+    print( "ABE::P_minusx  = ", momentum_BH[1,0],         file=file1 )
-    print( "ABE::P_minusy  = ", momentum_BH[1,1],         file=file1 )
+    print( "ABE::P_minusy  = ", momentum_BH[1,1],         file=file1 )
-    print( "ABE::P_minusz  = ", momentum_BH[1,2],         file=file1 )
+    print( "ABE::P_minusz  = ", momentum_BH[1,2],         file=file1 )
-    print( "ABE::S_plusx   = ", angular_momentum_BH[0,0], file=file1 )
+    print( "ABE::S_plusx   = ", angular_momentum_BH[0,0], file=file1 )
-    print( "ABE::S_plusy   = ", angular_momentum_BH[0,1], file=file1 )
+    print( "ABE::S_plusy   = ", angular_momentum_BH[0,1], file=file1 )
-    print( "ABE::S_plusz   = ", angular_momentum_BH[0,2], file=file1 )
+    print( "ABE::S_plusz   = ", angular_momentum_BH[0,2], file=file1 )
-    print( "ABE::S_minusx  = ", angular_momentum_BH[1,0], file=file1 )
+    print( "ABE::S_minusx  = ", angular_momentum_BH[1,0], file=file1 )
-    print( "ABE::S_minusy  = ", angular_momentum_BH[1,1], file=file1 )
+    print( "ABE::S_minusy  = ", angular_momentum_BH[1,1], file=file1 )
-    print( "ABE::S_minusz  = ", angular_momentum_BH[1,2], file=file1 )
+    print( "ABE::S_minusz  = ", angular_momentum_BH[1,2], file=file1 )
-    print( "ABE::Mp        = ", BBH_M1,                   file=file1 )
+    print( "ABE::Mp        = ", BBH_M1,                   file=file1 )
-    print( "ABE::Mm        = ", BBH_M2,                   file=file1 )
+    print( "ABE::Mm        = ", BBH_M2,                   file=file1 )
-    print( "ABE::admtol    =  1.e-8",                     file=file1 )
+    print( "ABE::admtol    =  1.e-8",                     file=file1 )
-    print( "ABE::Newtontol =  5.e-12",                    file=file1 )
+    print( "ABE::Newtontol =  5.e-12",                    file=file1 )
-    print( "ABE::nA        =  50",                        file=file1 )
+    print( "ABE::nA        =  50",                        file=file1 )
-    print( "ABE::nB        =  50",                        file=file1 )
+    print( "ABE::nB        =  50",                        file=file1 )
-    print( "ABE::nphi      =  26",                        file=file1 )
+    print( "ABE::nphi      =  26",                        file=file1 )
-    print( "ABE::Newtonmaxit =  50",                      file=file1 )
+    print( "ABE::Newtonmaxit =  50",                      file=file1 )
-    
+    
-    file1.close()
+    file1.close()
-
+
-    return file1
+    return file1
-    
+    
-##################################################################
+##################################################################
-    
+    
-    
+    

makefile_and_run.py

@@ -1,203 +1,192 @@
-
+
-##################################################################
+##################################################################
-##
+##
-## This file defines the commands used to build and run AMSS-NCKU
+## This file defines the commands used to build and run AMSS-NCKU
-## Author: Xiaoqu
+## Author: Xiaoqu
-## 2025/01/24
+## 2025/01/24
-##
+##
-##################################################################
+##################################################################
-
+
-
+
-import AMSS_NCKU_Input as input_data
+import AMSS_NCKU_Input as input_data
-import subprocess
+import subprocess
-import time
+import time
-import os
+## CPU core binding configuration using taskset
-
+## taskset ensures all child processes inherit the CPU affinity mask
-## OpenMP configuration for threaded Fortran kernels
+## This forces make and all compiler processes to use only nohz_full cores (4-55, 60-111)
-## OMP_NUM_THREADS: set to number of physical cores (not hyperthreads)
+## Format: taskset -c 4-55,60-111 ensures processes only run on these cores
-## OMP_PROC_BIND: bind threads to cores to avoid migration overhead
+#NUMACTL_CPU_BIND = "taskset -c 0-111"
-## OMP_STACKSIZE: each thread needs stack space for fh arrays (~3.6MB)
+NUMACTL_CPU_BIND = "taskset -c 0-47"
-if "OMP_NUM_THREADS" not in os.environ:
+NUMACTL_CPU_BIND2 = "OMP_NUM_THREADS=48 OMP_PROC_BIND=close OMP_PLACES={0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47} taskset -c 0-47"
-    os.environ["OMP_NUM_THREADS"] = "96"
+#NUMACTL_CPU_BIND2 = "taskset -c 0-1"
-os.environ["OMP_STACKSIZE"] = "16M"
+## Build parallelism configuration
-os.environ["OMP_PROC_BIND"] = "close"
+## Use nohz_full cores (4-55, 60-111) for compilation: 52 + 52 = 104 cores
-os.environ["OMP_PLACES"] = "cores"
+## Set make -j to utilize available cores for faster builds
-## CPU core binding configuration using taskset
+BUILD_JOBS = 32
-## 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"
+
-#NUMACTL_CPU_BIND = "taskset -c 16-47,64-95"
+
-#NUMACTL_CPU_BIND = "taskset -c 8-15"
+##################################################################
-NUMACTL_CPU_BIND = ""
+
-
+## Compile the AMSS-NCKU main program ABE
-## Build parallelism configuration
+
-## Use nohz_full cores (4-55, 60-111) for compilation: 52 + 52 = 104 cores
+def makefile_ABE():
-## Set make -j to utilize available cores for faster builds
+
-BUILD_JOBS = 16
+    print(                                                        )
-
+    print( " Compiling the AMSS-NCKU executable file ABE/ABEGPU " ) 
-
+    print(                                                        )
-##################################################################
+
-
+    ## 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"
-##################################################################
+    elif (input_data.GPU_Calculation == "yes"):
-
+        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABEGPU"
-## Compile the AMSS-NCKU main program ABE
+    else:
-
+        print( " CPU/GPU numerical calculation setting is wrong " )
-def makefile_ABE():
+        print(                                                    )
-
+ 
-    print(                                                        )
+    ## Execute the command with subprocess.Popen and stream output
-    print( " Compiling the AMSS-NCKU executable file ABE/ABEGPU " ) 
+    makefile_process = subprocess.Popen(makefile_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
-    print(                                                        )
+
-
+    ## Read and print output lines as they arrive
-    ## Build command with CPU binding to nohz_full cores
+    for line in makefile_process.stdout:
-    if (input_data.GPU_Calculation == "no"):
+        print(line, end='')  # stream output in real time
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABE"
+
-    elif (input_data.GPU_Calculation == "yes"):
+    ## Wait for the process to finish
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABEGPU"
+    makefile_return_code = makefile_process.wait()
-    else:
+    if makefile_return_code != 0:
-        print( " CPU/GPU numerical calculation setting is wrong " )
+        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
-        print(                                                    )
+        
- 
+    print(                                                                  )
-    ## Execute the command with subprocess.Popen and stream output
+    print( " Compilation of the AMSS-NCKU executable file ABE is finished " ) 
-    makefile_process = subprocess.Popen(makefile_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
+    print(                                                                  )
-
+    
-    ## Read and print output lines as they arrive
+    return
-    for line in makefile_process.stdout:
+        
-        print(line, end='')  # stream output in real time
+##################################################################
-
+
-    ## Wait for the process to finish
+
-    makefile_return_code = makefile_process.wait()
+
-    if makefile_return_code != 0:
+##################################################################
-        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
+
-        
+## Compile the AMSS-NCKU TwoPuncture program TwoPunctureABE
-    print(                                                                  )
+
-    print( " Compilation of the AMSS-NCKU executable file ABE is finished " ) 
+def makefile_TwoPunctureABE():
-    print(                                                                  )
+
-    
+    print(                                                            )
-    return
+    print( " Compiling the AMSS-NCKU executable file TwoPunctureABE " )
-        
+    print(                                                            )
-##################################################################
+    
-
+    ## Build command with CPU binding to nohz_full cores
-
+    makefile_command = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} TwoPunctureABE"
-
+
-##################################################################
+    ## Execute the command with subprocess.Popen and stream output
-
+    makefile_process = subprocess.Popen(makefile_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True) 
-## Compile the AMSS-NCKU TwoPuncture program TwoPunctureABE
+    
-
+    ## Read and print output lines as they arrive
-def makefile_TwoPunctureABE():
+    for line in makefile_process.stdout:
-
+        print(line, end='')  # stream output in real time
-    print(                                                            )
+        
-    print( " Compiling the AMSS-NCKU executable file TwoPunctureABE " )
+    ## Wait for the process to finish
-    print(                                                            )
+    makefile_return_code = makefile_process.wait()
-    
+    if makefile_return_code != 0:
-    ## Build command with CPU binding to nohz_full cores
+        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
-    makefile_command = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} TwoPunctureABE"
+        
-
+    print(                                                                             )
-    ## Execute the command with subprocess.Popen and stream output
+    print( " Compilation of the AMSS-NCKU executable file TwoPunctureABE is finished " )
-    makefile_process = subprocess.Popen(makefile_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True) 
+    print(                                                                             )
-    
+    
-    ## Read and print output lines as they arrive
+    return
-    for line in makefile_process.stdout:
+    
-        print(line, end='')  # stream output in real time
+##################################################################
-        
+
-    ## Wait for the process to finish
+
-    makefile_return_code = makefile_process.wait()
+
-    if makefile_return_code != 0:
+##################################################################
-        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
+
-        
+## Run the AMSS-NCKU main program ABE
-    print(                                                                             )
+
-    print( " Compilation of the AMSS-NCKU executable file TwoPunctureABE is finished " )
+def run_ABE():
-    print(                                                                             )
+
-    
+    print(                                                      )
-    return
+    print( " Running the AMSS-NCKU executable file ABE/ABEGPU " ) 
-    
+    print(                                                      )
-##################################################################
+
-
+    ## Define the command to run; cast other values to strings as needed
-
+    
-
+    if (input_data.GPU_Calculation == "no"):
-##################################################################
+        #mpi_command         = NUMACTL_CPU_BIND2 + " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
-
+        #mpi_command         = " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
-## Run the AMSS-NCKU main program ABE
+        mpi_command = """ OMP_NUM_THREADS=48 OMP_PROC_BIND=close OMP_PLACES=cores mpirun -np 1 --cpu-bind=sockets  ./ABE """
-
+        mpi_command_outfile = "ABE_out.log"
-def run_ABE():
+    elif (input_data.GPU_Calculation == "yes"):
-
+        mpi_command         = NUMACTL_CPU_BIND2 + " mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
-    print(                                                      )
+        mpi_command_outfile = "ABEGPU_out.log"
-    print( " Running the AMSS-NCKU executable file ABE/ABEGPU " ) 
+ 
-    print(                                                      )
+    ## Execute the MPI command and stream output
-
+    mpi_process = subprocess.Popen(mpi_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
-    ## Define the command to run; cast other values to strings as needed
+
-
+    ## Write ABE run output to file while printing to stdout
-    if (input_data.GPU_Calculation == "no"):
+    with open(mpi_command_outfile, 'w') as file0:  
-        run_command         = NUMACTL_CPU_BIND + " ./ABE"
+        ## Read and print output lines; also write each line to file
-        run_command_outfile = "ABE_out.log"
+        for line in mpi_process.stdout:
-    elif (input_data.GPU_Calculation == "yes"):
+            print(line, end='')  # stream output in real time
-        run_command         = NUMACTL_CPU_BIND + " ./ABEGPU"
+            file0.write(line)    # write the line to file
-        run_command_outfile = "ABEGPU_out.log"
+            file0.flush()        # flush to ensure each line is written immediately (optional)            
-
+    file0.close()
-    ## Execute the command and stream output
+
-    run_process = subprocess.Popen(run_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
+    ## Wait for the process to finish
-
+    mpi_return_code = mpi_process.wait()
-    ## Write ABE run output to file while printing to stdout
+    
-    with open(run_command_outfile, 'w') as file0:
+    print(                                           )
-        ## Read and print output lines; also write each line to file
+    print( " The ABE/ABEGPU simulation is finished " ) 
-        for line in run_process.stdout:
+    print(                                           )
-            print(line, end='')  # stream output in real time
+    
-            file0.write(line)    # write the line to file
+    return
-            file0.flush()        # flush to ensure each line is written immediately (optional)            
+
-    file0.close()
+##################################################################
-
+
-    ## Wait for the process to finish
+
-    run_return_code = run_process.wait()
+
-    
+##################################################################
-    print(                                           )
+
-    print( " The ABE/ABEGPU simulation is finished " ) 
+## Run the AMSS-NCKU TwoPuncture program TwoPunctureABE
-    print(                                           )
+
-    
+def run_TwoPunctureABE():
-    return
+    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         = " ./TwoPunctureABE"
-## Run the AMSS-NCKU TwoPuncture program TwoPunctureABE
+    TwoPuncture_command_outfile = "TwoPunctureABE_out.log"
-
+
-def run_TwoPunctureABE():
+    ## Execute the command with subprocess.Popen and stream output
-    tp_time1=time.time()
+    TwoPuncture_process = subprocess.Popen(TwoPuncture_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
-    print(                                                          )
+
-    print( " Running the AMSS-NCKU executable file TwoPunctureABE " ) 
+    ## Write TwoPunctureABE run output to file while printing to stdout
-    print(                                                          )
+    with open(TwoPuncture_command_outfile, 'w') as file0:  
-    
+        ## Read and print output lines; also write each line to file
-    ## Define the command to run
+        for line in TwoPuncture_process.stdout:
-    #TwoPuncture_command         = NUMACTL_CPU_BIND + " ./TwoPunctureABE"
+            print(line, end='')  # stream output in real time
-    TwoPuncture_command         = " ./TwoPunctureABE"
+            file0.write(line)    # write the line to file
-    TwoPuncture_command_outfile = "TwoPunctureABE_out.log"
+            file0.flush()        # flush to ensure each line is written immediately (optional)                 
-
+    file0.close()
-    ## Execute the command with subprocess.Popen and stream output
+
-    TwoPuncture_process = subprocess.Popen(TwoPuncture_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
+    ## Wait for the process to finish
-
+    TwoPuncture_command_return_code = TwoPuncture_process.wait()
-    ## Write TwoPunctureABE run output to file while printing to stdout
+    
-    with open(TwoPuncture_command_outfile, 'w') as file0:  
+    print(                                               )
-        ## Read and print output lines; also write each line to file
+    print( " The TwoPunctureABE simulation is finished " ) 
-        for line in TwoPuncture_process.stdout:
+    print(                                               )
-            print(line, end='')  # stream output in real time
+    tp_time2=time.time()
-            file0.write(line)    # write the line to file
+    et=tp_time2-tp_time1
-            file0.flush()        # flush to ensure each line is written immediately (optional)                 
+    print(f"Used time: {et}")
-    file0.close()
+    return
-
+
-    ## Wait for the process to finish
+##################################################################
-    TwoPuncture_command_return_code = TwoPuncture_process.wait()
+    
-    
-    print(                                               )
-    print( " The TwoPunctureABE simulation is finished " ) 
-    print(                                               )
-    tp_time2=time.time()
-    et=tp_time2-tp_time1
-    print(f"Used time: {et}")
-    return
-
-##################################################################
-    

renew_puncture_parameter.py

@@ -1,133 +1,133 @@
-
+
-##################################################################
+##################################################################
-##
+##
-## Update puncture parameters from TwoPuncture output
+## Update puncture parameters from TwoPuncture output
-## Author: Xiaoqu
+## Author: Xiaoqu
-## 2024/12/04
+## 2024/12/04
-##
+##
-##################################################################
+##################################################################
-
+
-import AMSS_NCKU_Input as input_data
+import AMSS_NCKU_Input as input_data
-import numpy
+import numpy
-import os
+import os
-
+
-##################################################################
+##################################################################
-
+
-
+
-
+
-##################################################################
+##################################################################
-
+
-def read_TwoPuncture_Output(Output_File_directory):
+def read_TwoPuncture_Output(Output_File_directory):
-
+
-    dimensionless_mass_BH = numpy.zeros( input_data.puncture_number )
+    dimensionless_mass_BH = numpy.zeros( input_data.puncture_number )
-    bare_mass_BH          = numpy.zeros( input_data.puncture_number )        ## initialize bare mass for each black hole
+    bare_mass_BH          = numpy.zeros( input_data.puncture_number )        ## initialize bare mass for each black hole
-    position_BH           = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize initial position for each black hole
+    position_BH           = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize initial position for each black hole
-    momentum_BH           = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize momentum for each black hole
+    momentum_BH           = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize momentum for each black hole
-    angular_momentum_BH   = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize spin angular momentum for each black hole
+    angular_momentum_BH   = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize spin angular momentum for each black hole
-    
+    
-    # Read TwoPuncture output file
+    # Read TwoPuncture output file
-    data = numpy.loadtxt( os.path.join(Output_File_directory, "puncture_parameters_new.txt") )
+    data = numpy.loadtxt( os.path.join(Output_File_directory, "puncture_parameters_new.txt") )
-    # Ensure data is parsed as a 1-D array
+    # Ensure data is parsed as a 1-D array
-    data = data.reshape(-1)
+    data = data.reshape(-1)
-    
+    
-    for i in range(input_data.puncture_number):
+    for i in range(input_data.puncture_number):
-        
+        
-        ## Read parameters for the first two punctures from TwoPuncture output
+        ## Read parameters for the first two punctures from TwoPuncture output
-        ## For additional punctures, read parameters from the input file
+        ## For additional punctures, read parameters from the input file
-        if i<2:
+        if i<2:
-            bare_mass_BH[i]          = data[12*i]
+            bare_mass_BH[i]          = data[12*i]
-            dimensionless_mass_BH[i] = data[12*i+1]
+            dimensionless_mass_BH[i] = data[12*i+1]
-            position_BH[i]           = [ data[12*i+3], data[12*i+4],  data[12*i+5]  ]
+            position_BH[i]           = [ data[12*i+3], data[12*i+4],  data[12*i+5]  ]
-            momentum_BH[i]           = [ data[12*i+6], data[12*i+7],  data[12*i+8]  ]
+            momentum_BH[i]           = [ data[12*i+6], data[12*i+7],  data[12*i+8]  ]
-            angular_momentum_BH[i]   = [ data[12*i+9], data[12*i+10], data[12*i+11] ]
+            angular_momentum_BH[i]   = [ data[12*i+9], data[12*i+10], data[12*i+11] ]
-        else:
+        else:
-            dimensionless_mass_BH[i] = input_data.parameter_BH[i,0]
+            dimensionless_mass_BH[i] = input_data.parameter_BH[i,0]
-            bare_mass_BH[i]          = input_data.parameter_BH[i,0]
+            bare_mass_BH[i]          = input_data.parameter_BH[i,0]
-            position_BH[i]           = input_data.position_BH[i]
+            position_BH[i]           = input_data.position_BH[i]
-            momentum_BH[i]           = input_data.momentum_BH[i]
+            momentum_BH[i]           = input_data.momentum_BH[i]
-            ## Read angular momentum according to symmetry
+            ## Read angular momentum according to symmetry
-            if ( input_data.Symmetry == "equatorial-symmetry" ):
+            if ( input_data.Symmetry == "equatorial-symmetry" ):
-                angular_momentum_BH[i] = [ 0.0, 0.0, (input_data.parameter_BH[i,0]**2) * input_data.parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (input_data.parameter_BH[i,0]**2) * input_data.parameter_BH[i,2] ]
-            elif ( input_data.Symmetry == "no-symmetry" ):
+            elif ( input_data.Symmetry == "no-symmetry" ):
-                angular_momentum_BH[i] = (dimensionless_mass_BH[i]**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (dimensionless_mass_BH[i]**2) * input_data.dimensionless_spin_BH[i]
-    
+    
-    return bare_mass_BH, dimensionless_mass_BH, position_BH, momentum_BH, angular_momentum_BH
+    return bare_mass_BH, dimensionless_mass_BH, position_BH, momentum_BH, angular_momentum_BH
-    
+    
-##################################################################
+##################################################################
-
+
-
+
-##################################################################
+##################################################################
-
+
-## Append the computed puncture information into the AMSS-NCKU input file
+## Append the computed puncture information into the AMSS-NCKU input file
-
+
-def append_AMSSNCKU_BSSN_input(File_directory, TwoPuncture_File_directory): 
+def append_AMSSNCKU_BSSN_input(File_directory, TwoPuncture_File_directory): 
-
+
-    charge_Q_BH = numpy.zeros( input_data.puncture_number )   ## initialize charge for each black hole
+    charge_Q_BH = numpy.zeros( input_data.puncture_number )   ## initialize charge for each black hole
-
+
-    ## If using Ansorg-TwoPuncture to solve the initial-data problem, read
+    ## If using Ansorg-TwoPuncture to solve the initial-data problem, read
-    ## bare masses, positions and angular momenta from TwoPuncture output
+    ## bare masses, positions and angular momenta from TwoPuncture output
-    if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ):
+    if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ):
-        bare_mass_BH, dimensionless_mass_BH, position_BH, momentum_BH, angular_momentum_BH = read_TwoPuncture_Output(TwoPuncture_File_directory)
+        bare_mass_BH, dimensionless_mass_BH, position_BH, momentum_BH, angular_momentum_BH = read_TwoPuncture_Output(TwoPuncture_File_directory)
-        # set charge for each black hole
+        # set charge for each black hole
-        for i in range(input_data.puncture_number):
+        for i in range(input_data.puncture_number):
-            charge_Q_BH[i] = dimensionless_mass_BH[i] * input_data.parameter_BH[i,1]
+            charge_Q_BH[i] = dimensionless_mass_BH[i] * input_data.parameter_BH[i,1]
-    
+    
-    ## If using another method for initial data, read parameters directly from input
+    ## If using another method for initial data, read parameters directly from input
-    else:
+    else:
-        position_BH = input_data.position_BH
+        position_BH = input_data.position_BH
-        momentum_BH = input_data.momentum_BH
+        momentum_BH = input_data.momentum_BH
-        ## angular_momentum_BH = input_data.angular_momentum_BH
+        ## angular_momentum_BH = input_data.angular_momentum_BH
-        angular_momentum_BH = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize spin angular momentum array
+        angular_momentum_BH = numpy.zeros( (input_data.puncture_number, 3) )   ## initialize spin angular momentum array
-        mass_BH             = numpy.zeros( input_data.puncture_number      )   ## initialize mass array
+        mass_BH             = numpy.zeros( input_data.puncture_number      )   ## initialize mass array
-
+
-        ## Set charge and spin angular momentum for each puncture
+        ## Set charge and spin angular momentum for each puncture
-        for i in range(input_data.puncture_number):
+        for i in range(input_data.puncture_number):
-
+
-            if ( input_data.Symmetry == "octant-symmetry" ):
+            if ( input_data.Symmetry == "octant-symmetry" ):
-                mass_BH[i]             = input_data.parameter_BH[i,0]
+                mass_BH[i]             = input_data.parameter_BH[i,0]
-                charge_Q_BH[i]         = mass_BH[i]* input_data.parameter_BH[i,1]
+                charge_Q_BH[i]         = mass_BH[i]* input_data.parameter_BH[i,1]
-                angular_momentum_BH[i] = [ 0.0, 0.0, (mass_BH[i]**2) * input_data.parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (mass_BH[i]**2) * input_data.parameter_BH[i,2] ]
-            elif ( input_data.Symmetry == "equatorial-symmetry" ):
+            elif ( input_data.Symmetry == "equatorial-symmetry" ):
-                mass_BH[i]             = input_data.parameter_BH[i,0]
+                mass_BH[i]             = input_data.parameter_BH[i,0]
-                charge_Q_BH[i]         = mass_BH[i]* input_data.parameter_BH[i,1]
+                charge_Q_BH[i]         = mass_BH[i]* input_data.parameter_BH[i,1]
-                angular_momentum_BH[i] = [ 0.0, 0.0, (mass_BH[i]**2) * input_data.parameter_BH[i,2] ]
+                angular_momentum_BH[i] = [ 0.0, 0.0, (mass_BH[i]**2) * input_data.parameter_BH[i,2] ]
-            elif ( input_data.Symmetry == "no-symmetry" ):
+            elif ( input_data.Symmetry == "no-symmetry" ):
-                mass_BH[i]             = input_data.parameter_BH[i,0]
+                mass_BH[i]             = input_data.parameter_BH[i,0]
-                angular_momentum_BH[i] = (mass_BH[i]**2) * input_data.dimensionless_spin_BH[i]
+                angular_momentum_BH[i] = (mass_BH[i]**2) * input_data.dimensionless_spin_BH[i]
-                charge_Q_BH[i]         = mass_BH[i]      * input_data.parameter_BH[i,1]
+                charge_Q_BH[i]         = mass_BH[i]      * input_data.parameter_BH[i,1]
-
+
-    file1 = open( os.path.join(input_data.File_directory, "AMSS-NCKU.input"), "a")   ## open file in append mode
+    file1 = open( os.path.join(input_data.File_directory, "AMSS-NCKU.input"), "a")   ## open file in append mode
-
+
-    ## Output BSSN related settings
+    ## Output BSSN related settings
-    
+    
-    print(                                                                           file=file1 )
+    print(                                                                           file=file1 )
-    print( "BSSN::chitiny  = 1e-5",                                                  file=file1 ) 
+    print( "BSSN::chitiny  = 1e-5",                                                  file=file1 ) 
-    print( "BSSN::time refinement start from level = ", input_data.refinement_level, file=file1 )
+    print( "BSSN::time refinement start from level = ", input_data.refinement_level, file=file1 )
-    print( "BSSN::BH_num   =  ",                        input_data.puncture_number,  file=file1 )
+    print( "BSSN::BH_num   =  ",                        input_data.puncture_number,  file=file1 )
-    
+    
-    for i in range(input_data.puncture_number):
+    for i in range(input_data.puncture_number):
-    
+    
-        if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ):
+        if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ):
-            print( f"BSSN::Mass[{i}]  = { bare_mass_BH[i] } ",      file=file1 )
+            print( f"BSSN::Mass[{i}]  = { bare_mass_BH[i] } ",      file=file1 )
-        else:
+        else:
-            print( f"BSSN::Mass[{i}]  = { mass_BH[i] } ",           file=file1 )
+            print( f"BSSN::Mass[{i}]  = { mass_BH[i] } ",           file=file1 )
-            
+            
-        print( f"BSSN::Qchar[{i}] = { charge_Q_BH[i] } ",           file=file1 )
+        print( f"BSSN::Qchar[{i}] = { charge_Q_BH[i] } ",           file=file1 )
-        print( f"BSSN::Porgx[{i}] = { position_BH[i,0] } ",         file=file1 )
+        print( f"BSSN::Porgx[{i}] = { position_BH[i,0] } ",         file=file1 )
-        print( f"BSSN::Porgy[{i}] = { position_BH[i,1] } ",         file=file1 )
+        print( f"BSSN::Porgy[{i}] = { position_BH[i,1] } ",         file=file1 )
-        print( f"BSSN::Porgz[{i}] = { position_BH[i,2] } ",         file=file1 )
+        print( f"BSSN::Porgz[{i}] = { position_BH[i,2] } ",         file=file1 )
-        print( f"BSSN::Pmomx[{i}] = { momentum_BH[i,0] } ",         file=file1 )
+        print( f"BSSN::Pmomx[{i}] = { momentum_BH[i,0] } ",         file=file1 )
-        print( f"BSSN::Pmomy[{i}] = { momentum_BH[i,1] } ",         file=file1 )
+        print( f"BSSN::Pmomy[{i}] = { momentum_BH[i,1] } ",         file=file1 )
-        print( f"BSSN::Pmomz[{i}] = { momentum_BH[i,2] } ",         file=file1 )
+        print( f"BSSN::Pmomz[{i}] = { momentum_BH[i,2] } ",         file=file1 )
-        print( f"BSSN::Spinx[{i}] = { angular_momentum_BH[i,0] } ", file=file1 )
+        print( f"BSSN::Spinx[{i}] = { angular_momentum_BH[i,0] } ", file=file1 )
-        print( f"BSSN::Spiny[{i}] = { angular_momentum_BH[i,1] } ", file=file1 )
+        print( f"BSSN::Spiny[{i}] = { angular_momentum_BH[i,1] } ", file=file1 )
-        print( f"BSSN::Spinz[{i}] = { angular_momentum_BH[i,2] } ", file=file1 )
+        print( f"BSSN::Spinz[{i}] = { angular_momentum_BH[i,2] } ", file=file1 )
-            
+            
-    print(                                                          file=file1 )
+    print(                                                          file=file1 )
-    
+    
-    file1.close()
+    file1.close()
-
+
-    return
+    return
-    
+    
-#################################################
+#################################################
-
+