Switch legacy build to GCC and OpenMPI

AMSS_NCKU_source/ABE.C

@@ -24,16 +24,18 @@ using namespace std;
 
 #include "misc.h"
 #include "macrodef.h"
-#ifdef USE_GPU
-extern void bssn_cuda_dump_stage_profile();
-#endif
 
 #ifndef ABEtype
 #error "not define ABEtype"
 #endif
 
 #if (ABEtype == 0)
+
+#ifdef USE_GPU
+#include "bssn_gpu_class.h"
+#else
 #include "bssn_class.h"
+#endif
 
 #elif (ABEtype == 1)
 #include "bssnEScalar_class.h"
@@ -472,13 +474,10 @@ int main(int argc, char *argv[])
             cout << endl;
       }
 
-	      ADM->Evolve(Steps);
+      ADM->Evolve(Steps);
-#ifdef USE_GPU
-	      bssn_cuda_dump_stage_profile();
-#endif
 
-	      if (myrank == 0)
+      if (myrank == 0)
-	      {
+      {
             cout << endl;
             cout << " Total Evolve Time: "  << MPI_Wtime() - End_clock   << " seconds!" << endl;
             cout << " Total Running Time: " << MPI_Wtime() - Begin_clock << " seconds!" << endl;

AMSS_NCKU_source/Block.C

@@ -11,10 +11,6 @@ using namespace std;
 
 #include "Block.h"
 #include "misc.h"
-#ifdef USE_GPU
-#include "bssn_gpu.h"
-#include "bssn_cuda_ops.h"
-#endif
 
 Block::Block(int DIM, int *shapei, double *bboxi, int ranki, int ingfsi, int fngfsi, int levi, const int cgpui) : rank(ranki), ingfs(ingfsi), fngfs(fngfsi), lev(levi), cgpu(cgpui)
 {
@@ -105,11 +101,6 @@ Block::~Block()
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
   if (myrank == rank)
   {
-#ifdef USE_GPU
-    bssn_gpu_clear_cached_device_buffers();
-    bssn_cuda_release_rk4_caches();
-    bssn_cuda_release_interp_caches();
-#endif
     for (int i = 0; i < dim; i++)
       delete[] X[i];
     for (int i = 0; i < ingfs; i++)

AMSS_NCKU_source/FFT.f90

@@ -37,51 +37,56 @@ close(77)
 end program checkFFT
 #endif
 
-!-------------
-! Optimized FFT using Intel oneMKL DFTI
-! Mathematical equivalence: Standard DFT definition
-!   Forward (isign=1):  X[k] = sum_{n=0}^{N-1} x[n] * exp(-2*pi*i*k*n/N)
-!   Backward (isign=-1): X[k] = sum_{n=0}^{N-1} x[n] * exp(+2*pi*i*k*n/N)
-! Input/Output: dataa is interleaved complex array [Re(0),Im(0),Re(1),Im(1),...]
-!-------------
 SUBROUTINE four1(dataa,nn,isign)
-use MKL_DFTI
 implicit none
-INTEGER, intent(in) :: isign, nn
+INTEGER::isign,nn
-DOUBLE PRECISION, dimension(2*nn), intent(inout) :: dataa
+double precision,dimension(2*nn)::dataa
-
+INTEGER::i,istep,j,m,mmax,n
-type(DFTI_DESCRIPTOR), pointer :: desc
+double precision::tempi,tempr
-integer :: status
+DOUBLE PRECISION::theta,wi,wpi,wpr,wr,wtemp
-
+n=2*nn
-! Create DFTI descriptor for 1D complex-to-complex transform
+j=1
-status = DftiCreateDescriptor(desc, DFTI_DOUBLE, DFTI_COMPLEX, 1, nn)
+do i=1,n,2
-if (status /= 0) return
+  if(j.gt.i)then
-
+     tempr=dataa(j)
-! Set input/output storage as interleaved complex (default)
+     tempi=dataa(j+1)
-status = DftiSetValue(desc, DFTI_PLACEMENT, DFTI_INPLACE)
+     dataa(j)=dataa(i)
-if (status /= 0) then
+     dataa(j+1)=dataa(i+1)
-   status = DftiFreeDescriptor(desc)
+     dataa(i)=tempr
-   return
+     dataa(i+1)=tempi
+  endif
+  m=nn
+1 if ((m.ge.2).and.(j.gt.m)) then
+  j=j-m
+  m=m/2
+goto 1
+  endif
+j=j+m
+enddo
+mmax=2
+2  if (n.gt.mmax) then
+     istep=2*mmax
+     theta=6.28318530717959d0/(isign*mmax)
+     wpr=-2.d0*sin(0.5d0*theta)**2
+     wpi=sin(theta)
+     wr=1.d0
+     wi=0.d0
+     do m=1,mmax,2
+       do i=m,n,istep
+         j=i+mmax
+         tempr=sngl(wr)*dataa(j)-sngl(wi)*dataa(j+1)
+         tempi=sngl(wr)*dataa(j+1)+sngl(wi)*dataa(j)
+         dataa(j)=dataa(i)-tempr
+         dataa(j+1)=dataa(i+1)-tempi
+         dataa(i)=dataa(i)+tempr
+         dataa(i+1)=dataa(i+1)+tempi
+       enddo
+          wtemp=wr
+          wr=wr*wpr-wi*wpi+wr
+          wi=wi*wpr+wtemp*wpi+wi
+     enddo
+mmax=istep
+goto 2
 endif
-
-! Commit the descriptor
-status = DftiCommitDescriptor(desc)
-if (status /= 0) then
-   status = DftiFreeDescriptor(desc)
-   return
-endif
-
-! Execute FFT based on direction
-if (isign == 1) then
-   ! Forward FFT: exp(-2*pi*i*k*n/N)
-   status = DftiComputeForward(desc, dataa)
-else
-   ! Backward FFT: exp(+2*pi*i*k*n/N)
-   status = DftiComputeBackward(desc, dataa)
-endif
-
-! Free descriptor
-status = DftiFreeDescriptor(desc)
-
 return
 END SUBROUTINE four1

AMSS_NCKU_source/MPatch.C

@@ -7,7 +7,6 @@
 #include <string>
 #include <cmath>
 #include <new>
-#include <map>
 #include <vector>
 using namespace std;
 
@@ -15,82 +14,12 @@ using namespace std;
 #include "MPatch.h"
 #include "Parallel.h"
 #include "fmisc.h"
-#include "bssn_cuda_ops.h"
 #ifdef INTERP_LB_PROFILE
 #include "interp_lb_profile.h"
 #endif
 
-#if defined(__GNUC__) || defined(__clang__)
-extern int bssn_cuda_interp_points_batch(const int *ex,
-                                         const double *X, const double *Y, const double *Z,
-                                         const double *const *fields,
-                                         const double *soa_flat,
-                                         int num_var,
-                                         const double *px, const double *py, const double *pz,
-                                         int num_points,
-                                         int ordn,
-                                         int symmetry,
-                                         double *out) __attribute__((weak));
-#endif
-
 namespace
 {
-struct InterpVarDesc
-{
-  int sgfn;
-  double soa[dim];
-};
-
-struct InterpPlanKey
-{
-  const Patch *patch;
-  const double *x;
-  const double *y;
-  const double *z;
-  int NN;
-  int Symmetry;
-  int myrank;
-};
-
-struct InterpPlanKeyLess
-{
-  bool operator()(const InterpPlanKey &lhs, const InterpPlanKey &rhs) const
-  {
-    if (lhs.patch != rhs.patch) return lhs.patch < rhs.patch;
-    if (lhs.x != rhs.x) return lhs.x < rhs.x;
-    if (lhs.y != rhs.y) return lhs.y < rhs.y;
-    if (lhs.z != rhs.z) return lhs.z < rhs.z;
-    if (lhs.NN != rhs.NN) return lhs.NN < rhs.NN;
-    if (lhs.Symmetry != rhs.Symmetry) return lhs.Symmetry < rhs.Symmetry;
-    return lhs.myrank < rhs.myrank;
-  }
-};
-
-struct CachedInterpPlan
-{
-  int nblocks;
-  vector<int> owner_rank;
-  vector<int> owner_block;
-  vector<vector<int> > block_points;
-  vector<vector<double> > block_px;
-  vector<vector<double> > block_py;
-  vector<vector<double> > block_pz;
-
-  CachedInterpPlan() : nblocks(0) {}
-};
-
-struct CachedInterpPlanEntry
-{
-  bool valid;
-  InterpPlanKey key;
-  vector<double> xvals;
-  vector<double> yvals;
-  vector<double> zvals;
-  CachedInterpPlan plan;
-
-  CachedInterpPlanEntry() : valid(false) {}
-};
-
 struct InterpBlockView
 {
   Block *bp;
@@ -249,309 +178,8 @@ int find_block_index_for_point(const BlockBinIndex &index, const double *pox, co
 
   return -1;
 }
-
-void collect_interp_vars(MyList<var> *VarList, vector<InterpVarDesc> &vars)
-{
-  vars.clear();
-  MyList<var> *varl = VarList;
-  while (varl)
-  {
-    InterpVarDesc desc;
-    desc.sgfn = varl->data->sgfn;
-    for (int d = 0; d < dim; ++d)
-      desc.soa[d] = varl->data->SoA[d];
-    vars.push_back(desc);
-    varl = varl->next;
-  }
-}
-
-bool should_try_cuda_interp(int ordn, int num_points, int num_var)
-{
-#if defined(__GNUC__) || defined(__clang__)
-  if (!bssn_cuda_interp_points_batch)
-    return false;
-#else
-  return false;
-#endif
-  if (ordn != 6)
-    return false;
-  if (num_points < 32)
-    return false;
-  return num_points * num_var >= 256;
-}
-
-CachedInterpPlanEntry &interp_plan_cache_entry()
-{
-  static CachedInterpPlanEntry cache;
-  return cache;
-}
-
-bool same_interp_plan_key(const InterpPlanKey &lhs, const InterpPlanKey &rhs)
-{
-  return lhs.patch == rhs.patch &&
-         lhs.NN == rhs.NN &&
-         lhs.Symmetry == rhs.Symmetry &&
-         lhs.myrank == rhs.myrank;
-}
-
-bool same_interp_plan_points(const CachedInterpPlanEntry &cache, int NN, double **XX)
-{
-  if (static_cast<int>(cache.xvals.size()) != NN ||
-      static_cast<int>(cache.yvals.size()) != NN ||
-      static_cast<int>(cache.zvals.size()) != NN)
-    return false;
-
-  for (int j = 0; j < NN; ++j)
-  {
-    if (cache.xvals[j] != XX[0][j] ||
-        cache.yvals[j] != XX[1][j] ||
-        cache.zvals[j] != XX[2][j])
-      return false;
-  }
-  return true;
-}
-
-CachedInterpPlan &get_cached_interp_plan(Patch *patch,
-                                         int NN, double **XX,
-                                         int Symmetry, int myrank,
-                                         const double *DH,
-                                         const BlockBinIndex &block_index,
-                                         bool report_bounds_here,
-                                         bool allow_missing_points)
-{
-  InterpPlanKey key;
-  key.patch = patch;
-  key.x = XX[0];
-  key.y = XX[1];
-  key.z = XX[2];
-  key.NN = NN;
-  key.Symmetry = Symmetry;
-  key.myrank = myrank;
-
-  CachedInterpPlanEntry &cache = interp_plan_cache_entry();
-  if (cache.valid &&
-      same_interp_plan_key(cache.key, key) &&
-      same_interp_plan_points(cache, NN, XX) &&
-      cache.plan.nblocks == static_cast<int>(block_index.views.size()))
-    return cache.plan;
-
-  cache.valid = true;
-  cache.key = key;
-  cache.xvals.assign(XX[0], XX[0] + NN);
-  cache.yvals.assign(XX[1], XX[1] + NN);
-  cache.zvals.assign(XX[2], XX[2] + NN);
-  cache.plan = CachedInterpPlan();
-  CachedInterpPlan &plan = cache.plan;
-  plan.nblocks = static_cast<int>(block_index.views.size());
-  plan.owner_rank.assign(NN, -1);
-  plan.owner_block.assign(NN, -1);
-  plan.block_points.resize(plan.nblocks);
-  plan.block_px.resize(plan.nblocks);
-  plan.block_py.resize(plan.nblocks);
-  plan.block_pz.resize(plan.nblocks);
-
-  for (int j = 0; j < NN; ++j)
-  {
-    double pox[dim];
-    for (int i = 0; i < dim; ++i)
-    {
-      pox[i] = XX[i][j];
-      if (report_bounds_here &&
-          (XX[i][j] < patch->bbox[i] + patch->lli[i] * DH[i] ||
-           XX[i][j] > patch->bbox[dim + i] - patch->uui[i] * DH[i]))
-      {
-        cout << "Patch::Interp_Points: point (";
-        for (int k = 0; k < dim; ++k)
-        {
-          cout << XX[k][j];
-          if (k < dim - 1)
-            cout << ",";
-          else
-            cout << ") is out of current Patch." << endl;
-        }
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
-
-    const int block_i = find_block_index_for_point(block_index, pox, DH);
-    if (block_i >= 0)
-    {
-      Block *BP = block_index.views[block_i].bp;
-      plan.owner_rank[j] = BP->rank;
-      plan.owner_block[j] = block_i;
-      if (BP->rank == myrank)
-      {
-        plan.block_points[block_i].push_back(j);
-        plan.block_px[block_i].push_back(XX[0][j]);
-        plan.block_py[block_i].push_back(XX[1][j]);
-        plan.block_pz[block_i].push_back(XX[2][j]);
-      }
-    }
-  }
-
-  if (!allow_missing_points && report_bounds_here)
-  {
-    for (int j = 0; j < NN; ++j)
-    {
-      if (plan.owner_rank[j] >= 0)
-        continue;
-      cout << "ERROR: Patch::Interp_Points fails to find point (";
-      for (int d = 0; d < dim; ++d)
-      {
-        cout << XX[d][j];
-        if (d < dim - 1)
-          cout << ",";
-        else
-          cout << ")";
-      }
-      cout << " on Patch (";
-      for (int d = 0; d < dim; ++d)
-      {
-        cout << patch->bbox[d] << "+" << patch->lli[d] * DH[d];
-        if (d < dim - 1)
-          cout << ",";
-        else
-          cout << ")--";
-      }
-      cout << "(";
-      for (int d = 0; d < dim; ++d)
-      {
-        cout << patch->bbox[dim + d] << "-" << patch->uui[d] * DH[d];
-        if (d < dim - 1)
-          cout << ",";
-        else
-          cout << ")" << endl;
-      }
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
-  }
-
-  return plan;
-}
-
-void release_interp_plan_cache_internal()
-{
-  CachedInterpPlanEntry &cache = interp_plan_cache_entry();
-  cache.valid = false;
-  cache.xvals.clear();
-  cache.yvals.clear();
-  cache.zvals.clear();
-  cache.plan = CachedInterpPlan();
-}
-
-bool run_cuda_interp_for_block(Block *BP,
-                               const vector<InterpVarDesc> &vars,
-                               const vector<int> &point_ids,
-                               const vector<double> &px,
-                               const vector<double> &py,
-                               const vector<double> &pz,
-                               double *Shellf,
-                               int num_var,
-                               int ordn,
-                               int Symmetry)
-{
-  if (!should_try_cuda_interp(ordn, static_cast<int>(point_ids.size()), num_var))
-    return false;
-
-  vector<const double *> field_ptrs(num_var);
-  vector<double> soa_flat(3 * num_var);
-  for (int v = 0; v < num_var; ++v)
-  {
-    field_ptrs[v] = BP->fgfs[vars[v].sgfn];
-    for (int d = 0; d < dim; ++d)
-      soa_flat[3 * v + d] = vars[v].soa[d];
-  }
-
-  const int npts = static_cast<int>(point_ids.size());
-  vector<double> out(static_cast<size_t>(npts) * static_cast<size_t>(num_var));
-  if (bssn_cuda_interp_points_batch(BP->shape,
-                                    BP->X[0], BP->X[1], BP->X[2],
-                                    field_ptrs.data(),
-                                    soa_flat.data(),
-                                    num_var,
-                                    px.data(), py.data(), pz.data(),
-                                    npts,
-                                    ordn,
-                                    Symmetry,
-                                    out.data()) != 0)
-  {
-    return false;
-  }
-
-  for (int p = 0; p < npts; ++p)
-  {
-    const int j = point_ids[p];
-    memcpy(Shellf + j * num_var, out.data() + p * num_var, sizeof(double) * num_var);
-  }
-  return true;
-}
-
-void run_cpu_interp_for_block(Block *BP,
-                              const vector<InterpVarDesc> &vars,
-                              const vector<int> &point_ids,
-                              const vector<double> &px,
-                              const vector<double> &py,
-                              const vector<double> &pz,
-                              double *Shellf,
-                              int num_var,
-                              int ordn,
-                              int Symmetry)
-{
-  for (size_t p = 0; p < point_ids.size(); ++p)
-  {
-    const int j = point_ids[p];
-    double x = px[p];
-    double y = py[p];
-    double z = pz[p];
-    int ordn_local = ordn;
-    int symmetry_local = Symmetry;
-    for (int v = 0; v < num_var; ++v)
-    {
-      f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2],
-                      BP->fgfs[vars[v].sgfn], Shellf[j * num_var + v],
-                      x, y, z, ordn_local, const_cast<double *>(vars[v].soa), symmetry_local);
-    }
-  }
-}
-
-void interpolate_owned_points(MyList<var> *VarList,
-                              double *Shellf, int Symmetry,
-                              int ordn,
-                              const BlockBinIndex &block_index,
-                              const CachedInterpPlan &plan)
-{
-  vector<InterpVarDesc> vars;
-  collect_interp_vars(VarList, vars);
-  const int num_var = static_cast<int>(vars.size());
-
-  for (size_t bi = 0; bi < plan.block_points.size(); ++bi)
-  {
-    if (plan.block_points[bi].empty())
-      continue;
-
-    Block *BP = block_index.views[bi].bp;
-    bool done = run_cuda_interp_for_block(BP, vars,
-                                          plan.block_points[bi],
-                                          plan.block_px[bi],
-                                          plan.block_py[bi],
-                                          plan.block_pz[bi],
-                                          Shellf, num_var, ordn, Symmetry);
-    if (!done)
-      run_cpu_interp_for_block(BP, vars,
-                               plan.block_points[bi],
-                               plan.block_px[bi],
-                               plan.block_py[bi],
-                               plan.block_pz[bi],
-                               Shellf, num_var, ordn, Symmetry);
-  }
-}
 } // namespace
 
-void patch_release_interp_plan_cache()
-{
-  release_interp_plan_cache_internal();
-}
-
 Patch::Patch(int DIM, int *shapei, double *bboxi, int levi, bool buflog, int Symmetry) : lev(levi)
 {
 
@@ -895,15 +523,60 @@ void Patch::Interp_Points(MyList<var> *VarList,
 
   memset(Shellf, 0, sizeof(double) * NN * num_var);
 
+  // owner_rank[j] records which MPI rank owns point j
+  // All ranks traverse the same block list so they all agree on ownership
+  int *owner_rank;
+  owner_rank = new int[NN];
+  for (int j = 0; j < NN; j++)
+    owner_rank[j] = -1;
+
   double DH[dim];
   for (int i = 0; i < dim; i++)
     DH[i] = getdX(i);
   BlockBinIndex block_index;
   build_block_bin_index(this, DH, block_index);
-  CachedInterpPlan &plan = get_cached_interp_plan(this, NN, XX, Symmetry, myrank, DH, block_index, myrank == 0, false);
-  const int *owner_rank = plan.owner_rank.data();
 
-  interpolate_owned_points(VarList, Shellf, Symmetry, ordn, block_index, plan);
+  for (int j = 0; j < NN; j++) // run along points
+  {
+    double pox[dim];
+    for (int i = 0; i < dim; i++)
+    {
+      pox[i] = XX[i][j];
+      if (myrank == 0 && (XX[i][j] < bbox[i] + lli[i] * DH[i] || XX[i][j] > bbox[dim + i] - uui[i] * DH[i]))
+      {
+        cout << "Patch::Interp_Points: point (";
+        for (int k = 0; k < dim; k++)
+        {
+          cout << XX[k][j];
+          if (k < dim - 1)
+            cout << ",";
+          else
+            cout << ") is out of current Patch." << endl;
+        }
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
+
+    const int block_i = find_block_index_for_point(block_index, pox, DH);
+    if (block_i >= 0)
+    {
+      Block *BP = block_index.views[block_i].bp;
+      owner_rank[j] = BP->rank;
+      if (myrank == BP->rank)
+      {
+        //---> interpolation
+        varl = 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],
+                          pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
+          varl = varl->next;
+          k++;
+        }
+      }
+    }
+  }
 
   // Replace MPI_Allreduce with per-owner MPI_Bcast:
   // Group consecutive points by owner rank and broadcast each group.
@@ -959,6 +632,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
     }
   }
 
+  delete[] owner_rank;
 }
 void Patch::Interp_Points(MyList<var> *VarList,
                           int NN, double **XX,
@@ -987,21 +661,101 @@ void Patch::Interp_Points(MyList<var> *VarList,
 
   memset(Shellf, 0, sizeof(double) * NN * num_var);
 
+  // owner_rank[j] records which MPI rank owns point j
+  int *owner_rank;
+  owner_rank = new int[NN];
+  for (int j = 0; j < NN; j++)
+    owner_rank[j] = -1;
+
   double DH[dim];
   for (int i = 0; i < dim; i++)
     DH[i] = getdX(i);
   BlockBinIndex block_index;
   build_block_bin_index(this, DH, block_index);
-  CachedInterpPlan &plan = get_cached_interp_plan(this, NN, XX, Symmetry, myrank, DH, block_index, myrank == 0, false);
-  const int *owner_rank = plan.owner_rank.data();
 
-  interpolate_owned_points(VarList, Shellf, Symmetry, ordn, block_index, plan);
+  // --- Interpolation phase (identical to original) ---
+  for (int j = 0; j < NN; j++)
+  {
+    double pox[dim];
+    for (int i = 0; i < dim; i++)
+    {
+      pox[i] = XX[i][j];
+      if (myrank == 0 && (XX[i][j] < bbox[i] + lli[i] * DH[i] || XX[i][j] > bbox[dim + i] - uui[i] * DH[i]))
+      {
+        cout << "Patch::Interp_Points: point (";
+        for (int k = 0; k < dim; k++)
+        {
+          cout << XX[k][j];
+          if (k < dim - 1)
+            cout << ",";
+          else
+            cout << ") is out of current Patch." << endl;
+        }
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
+
+    const int block_i = find_block_index_for_point(block_index, pox, DH);
+    if (block_i >= 0)
+    {
+      Block *BP = block_index.views[block_i].bp;
+      owner_rank[j] = BP->rank;
+      if (myrank == BP->rank)
+      {
+        varl = VarList;
+        int k = 0;
+        while (varl)
+        {
+          f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
+                          pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
+          varl = varl->next;
+          k++;
+        }
+      }
+    }
+  }
 
 #ifdef INTERP_LB_PROFILE
   double t_interp_end = MPI_Wtime();
   double t_interp_local = t_interp_end - t_interp_start;
 #endif
 
+  // --- Error check for unfound points ---
+  for (int j = 0; j < NN; j++)
+  {
+    if (owner_rank[j] < 0 && myrank == 0)
+    {
+      cout << "ERROR: Patch::Interp_Points fails to find point (";
+      for (int d = 0; d < dim; d++)
+      {
+        cout << XX[d][j];
+        if (d < dim - 1)
+          cout << ",";
+        else
+          cout << ")";
+      }
+      cout << " on Patch (";
+      for (int d = 0; d < dim; d++)
+      {
+        cout << bbox[d] << "+" << lli[d] * DH[d];
+        if (d < dim - 1)
+          cout << ",";
+        else
+          cout << ")--";
+      }
+      cout << "(";
+      for (int d = 0; d < dim; d++)
+      {
+        cout << bbox[dim + d] << "-" << uui[d] * DH[d];
+        if (d < dim - 1)
+          cout << ",";
+        else
+          cout << ")" << endl;
+      }
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
+  }
+
   // --- Targeted point-to-point communication phase ---
   // Compute consumer_rank[j] using the same deterministic formula as surface_integral
   int *consumer_rank = new int[NN];
@@ -1121,6 +875,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
   delete[] send_count;
   delete[] recv_count;
   delete[] consumer_rank;
+  delete[] owner_rank;
 
 #ifdef INTERP_LB_PROFILE
   {
@@ -1168,6 +923,12 @@ void Patch::Interp_Points(MyList<var> *VarList,
 
   memset(Shellf, 0, sizeof(double) * NN * num_var);
 
+  // owner_rank[j] stores the global rank that owns point j
+  int *owner_rank;
+  owner_rank = new int[NN];
+  for (int j = 0; j < NN; j++)
+    owner_rank[j] = -1;
+
   // Build global-to-local rank translation for Comm_here
   MPI_Group world_group, local_group;
   MPI_Comm_group(MPI_COMM_WORLD, &world_group);
@@ -1178,10 +939,48 @@ void Patch::Interp_Points(MyList<var> *VarList,
     DH[i] = getdX(i);
   BlockBinIndex block_index;
   build_block_bin_index(this, DH, block_index);
-  CachedInterpPlan &plan = get_cached_interp_plan(this, NN, XX, Symmetry, myrank, DH, block_index, lmyrank == 0, true);
-  const int *owner_rank = plan.owner_rank.data();
 
-  interpolate_owned_points(VarList, Shellf, Symmetry, ordn, block_index, plan);
+  for (int j = 0; j < NN; j++) // run along points
+  {
+    double pox[dim];
+    for (int i = 0; i < dim; i++)
+    {
+      pox[i] = XX[i][j];
+      if (lmyrank == 0 && (XX[i][j] < bbox[i] + lli[i] * DH[i] || XX[i][j] > bbox[dim + i] - uui[i] * DH[i]))
+      {
+        cout << "Patch::Interp_Points: point (";
+        for (int k = 0; k < dim; k++)
+        {
+          cout << XX[k][j];
+          if (k < dim - 1)
+            cout << ",";
+          else
+            cout << ") is out of current Patch." << endl;
+        }
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
+
+    const int block_i = find_block_index_for_point(block_index, pox, DH);
+    if (block_i >= 0)
+    {
+      Block *BP = block_index.views[block_i].bp;
+      owner_rank[j] = BP->rank;
+      if (myrank == BP->rank)
+      {
+        //---> interpolation
+        varl = 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],
+                          pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
+          varl = varl->next;
+          k++;
+        }
+      }
+    }
+  }
 
   // Collect unique global owner ranks and translate to local ranks in Comm_here
   // Then broadcast each owner's points via MPI_Bcast on Comm_here
@@ -1211,6 +1010,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
 
   MPI_Group_free(&world_group);
   MPI_Group_free(&local_group);
+  delete[] owner_rank;
 }
 void Patch::checkBlock()
 {

AMSS_NCKU_source/MPatch.h

@@ -52,6 +52,4 @@ public:
                      double *Shellf, MPI_Comm Comm_here);
 };
 
-void patch_release_interp_plan_cache();
-
 #endif /* PATCH_H */

AMSS_NCKU_source/Parallel.h

@@ -90,11 +90,8 @@ namespace Parallel
                    MyList<var> *VarList1 /* source */, MyList<var> *VarList2 /*target */,
                    int Symmetry);
   void Sync(Patch *Pat, MyList<var> *VarList, int Symmetry);
-  void Sync(Patch *Pat, MyList<var> *VarList, int Symmetry, const char *context);
   void Sync(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry);
-  void Sync(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry, const char *context);
   void Sync_merged(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry);
-  void Sync_merged(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry, const char *context);
 
   struct SyncCache {
     bool valid;
@@ -111,7 +108,6 @@ namespace Parallel
     MPI_Status *stats;
     int max_reqs;
     bool lengths_valid;
-    int lengths_var_count;
     int *tc_req_node;
     int *tc_req_is_recv;
     int *tc_completed;
@@ -128,17 +124,16 @@ namespace Parallel
   struct AsyncSyncState {
     int req_no;
     bool active;
-    int mpi_tag;
     int *req_node;
     int *req_is_recv;
     int pending_recv;
-    AsyncSyncState() : req_no(0), active(false), mpi_tag(0), req_node(0), req_is_recv(0), pending_recv(0) {}
+    AsyncSyncState() : req_no(0), active(false), req_node(0), req_is_recv(0), pending_recv(0) {}
   };
 
   void Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry,
                   SyncCache &cache, AsyncSyncState &state);
   void Sync_finish(SyncCache &cache, AsyncSyncState &state,
-                   MyList<var> *VarList, int Symmetry, bool unpack_to_host = true);
+                   MyList<var> *VarList, int Symmetry);
   void OutBdLow2Hi(Patch *Patc, Patch *Patf,
                    MyList<var> *VarList1 /* source */, MyList<var> *VarList2 /* target */,
                    int Symmetry);
@@ -188,6 +183,7 @@ namespace Parallel
                          MyList<Parallel::gridseg> **out_src, MyList<Parallel::gridseg> **out_dst);
   void PeriodicBD(Patch *Pat, MyList<var> *VarList, int Symmetry);
   double L2Norm(Patch *Pat, var *vf);
+  void L2Norm7(Patch *Pat, var **vf, double *norms);
   void checkgsl(MyList<Parallel::gridseg> *pp, bool first_only);
   void checkvarl(MyList<var> *pp, bool first_only);
   MyList<Parallel::gridseg> *divide_gsl(MyList<Parallel::gridseg> *p, Patch *Pat);
@@ -223,6 +219,7 @@ namespace Parallel
   void checkpatchlist(MyList<Patch> *PatL, bool buflog);
 
   double L2Norm(Patch *Pat, var *vf, MPI_Comm Comm_here);
+  void L2Norm7(Patch *Pat, var **vf, double *norms, MPI_Comm Comm_here);
   bool PatList_Interp_Points(MyList<Patch> *PatL, MyList<var> *VarList,
                              int NN, double **XX,
                              double *Shellf, int Symmetry, MPI_Comm Comm_here);

AMSS_NCKU_source/ShellPatch.C

@@ -3472,6 +3472,43 @@ double ShellPatch::L2Norm(var *vf)
 
   return tvf;
 }
+void ShellPatch::L2Norm7(var **vf, double *norms)
+{
+  double tvf[7], dtvf[7];
+  int BDW = overghost;
+  for (int i = 0; i < 7; i++)
+    dtvf[i] = 0;
+
+  MyList<ss_patch> *sPp = PatL;
+  while (sPp)
+  {
+    MyList<Block> *Bp = sPp->data->blb;
+    while (Bp)
+    {
+      Block *cg = Bp->data;
+      if (myrank == cg->rank)
+      {
+        f_l2normhelper7(cg->shape, cg->X[0], cg->X[1], cg->X[2],
+                        sPp->data->bbox[0], sPp->data->bbox[1], sPp->data->bbox[2],
+                        sPp->data->bbox[3], sPp->data->bbox[4], sPp->data->bbox[5],
+                        cg->fgfs[vf[0]->sgfn], cg->fgfs[vf[1]->sgfn], cg->fgfs[vf[2]->sgfn],
+                        cg->fgfs[vf[3]->sgfn], cg->fgfs[vf[4]->sgfn], cg->fgfs[vf[5]->sgfn],
+                        cg->fgfs[vf[6]->sgfn], tvf, BDW);
+        for (int i = 0; i < 7; i++)
+          dtvf[i] += tvf[i];
+      }
+      if (Bp == sPp->data->ble)
+        break;
+      Bp = Bp->next;
+    }
+    sPp = sPp->next;
+  }
+
+  MPI_Allreduce(dtvf, tvf, 7, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+
+  for (int i = 0; i < 7; i++)
+    norms[i] = sqrt(tvf[i]);
+}
 
 // find maximum of abstract value, XX store position for maximum, Shellf store maximum themselvs
 void ShellPatch::Find_Maximum(MyList<var> *VarList, double *XX,

AMSS_NCKU_source/ShellPatch.h

@@ -198,6 +198,7 @@ public:
    void write_Pablo_file_ss(int *ext, double xmin, double xmax, double ymin, double ymax, double zmin, double zmax,
                             char *filename, int sst);
    double L2Norm(var *vf);
+   void L2Norm7(var **vf, double *norms);
    void Find_Maximum(MyList<var> *VarList, double *XX, double *Shellf);
 };
 

AMSS_NCKU_source/TwoPunctures.C

@@ -27,7 +27,21 @@ using namespace std;
 #endif
 
 #include "TwoPunctures.h"
-#include <mkl_cblas.h>
+
+extern "C" {
+double cblas_ddot(const int, const double *, const int, const double *, const int);
+double cblas_dnrm2(const int, const double *, const int);
+void cblas_dgemm(const int, const int, const int,
+                 const int, const int, const int,
+                 const double, const double *, const int,
+                 const double *, const int, const double,
+                 double *, const int);
+}
+
+enum {
+  CblasRowMajor = 101,
+  CblasNoTrans = 111
+};
 
 TwoPunctures::TwoPunctures(double mp, double mm, double b,
                            double P_plusx, double P_plusy, double P_plusz,

AMSS_NCKU_source/bssn_class.h

@@ -48,6 +48,7 @@ public:
        double StartTime, TotalTime;
        double AnasTime, DumpTime, d2DumpTime, CheckTime;
        double LastAnas, LastConsOut;
+       int *ConstraintRefreshLevels;
        double Courant;
        double numepss, numepsb, numepsh;
        int Symmetry;
@@ -132,10 +133,9 @@ public:
        Parallel::SyncCache *sync_cache_rp_fine;    // RestrictProlong sync on PatL[lev]
        Parallel::SyncCache *sync_cache_restrict;   // cached Restrict in RestrictProlong
        Parallel::SyncCache *sync_cache_outbd;      // cached OutBdLow2Hi in RestrictProlong
-       Parallel::SyncCache *sync_cache_psi4;       // cached Psi4 sync on PatL[lev]
 
        monitor *ErrorMonitor, *Psi4Monitor, *BHMonitor, *MAPMonitor;
-       monitor *ConVMonitor;
+       monitor *ConVMonitor, *TimingMonitor;
        surface_integral *Waveshell;
        checkpoint *CheckPoint;
 
@@ -177,12 +177,8 @@ public:
        virtual void Initialize();
        virtual void Read_Ansorg();
        virtual void Read_Pablo() {};
-       void InvalidateSyncCaches();
        virtual void Compute_Psi4(int lev);
        virtual void Step(int lev, int YN);
-#ifdef USE_GPU
-       void Step_MainPath_GPU(int lev, int YN);
-#endif
        virtual void Interp_Constraint(bool infg);
        virtual void Constraint_Out();
        virtual void Compute_Constraint();

AMSS_NCKU_source/bssn_cuda_ops.h

@@ -1,68 +0,0 @@
-#ifndef BSSN_CUDA_OPS_H
-#define BSSN_CUDA_OPS_H
-
-int bssn_cuda_enforce_ga(int *ex,
-                         double *dxx, double *gxy, double *gxz,
-                         double *dyy, double *gyz, double *dzz,
-                         double *Axx, double *Axy, double *Axz,
-                         double *Ayy, double *Ayz, double *Azz);
-
-int bssn_cuda_rk4_boundary_var(int *ex, double dT,
-                               const double *X, const double *Y, const double *Z,
-                               double xmin, double ymin, double zmin,
-                               double xmax, double ymax, double zmax,
-                               const double *state0,
-                               const double *phi_field,
-                               const double *lap_field,
-                               const double *boundary_src,
-                               double *stage_data,
-                               double *rhs_accum,
-                               double propspeed,
-                               const double SoA[3],
-                               int symmetry,
-                               int lev,
-                               int rk_stage,
-                               bool force_host_boundary_fix,
-                               bool download_to_host = true);
-
-int bssn_cuda_rk4_boundary_batch(int *ex, double dT,
-                                 const double *X, const double *Y, const double *Z,
-                                 double xmin, double ymin, double zmin,
-                                 double xmax, double ymax, double zmax,
-                                 int symmetry,
-                                 const double *const *state0_list,
-                                 double *const *stage_data_list,
-                                 double *const *rhs_accum_list,
-                                 int num_var,
-                                 int rk_stage,
-                                 bool download_to_host = false);
-
-int bssn_cuda_lowerbound(int *ex, double *chi, double tinny, bool download_to_host = true);
-int bssn_cuda_download_buffer(int *ex, double *host_ptr);
-void bssn_cuda_release_rk4_caches();
-void bssn_cuda_release_interp_caches();
-
-int bssn_cuda_prolong3_pack(int wei,
-                            const double *llbc, const double *uubc, const int *extc, const double *func,
-                            const double *llbf, const double *uubf, const int *extf, double *funf,
-                            const double *llbp, const double *uubp,
-                            const double *SoA, int symmetry);
-
-int bssn_cuda_restrict3_pack(int wei,
-                             const double *llbc, const double *uubc, const int *extc, double *func,
-                             const double *llbf, const double *uubf, const int *extf, const double *funf,
-                             const double *llbr, const double *uubr,
-                             const double *SoA, int symmetry);
-
-int bssn_cuda_interp_points_batch(const int *ex,
-                                  const double *X, const double *Y, const double *Z,
-                                  const double *const *fields,
-                                  const double *soa_flat,
-                                  int num_var,
-                                  const double *px, const double *py, const double *pz,
-                                  int num_points,
-                                  int ordn,
-                                  int symmetry,
-                                  double *out);
-
-#endif

AMSS_NCKU_source/bssn_cuda_step.C

@@ -1,936 +0,0 @@
-#include "macrodef.h"
-
-#ifdef USE_GPU
-
-#include <algorithm>
-#include <cmath>
-#include <cstring>
-#include <cstdlib>
-#include <iomanip>
-#include <vector>
-
-#include "bssn_class.h"
-#include "bssn_cuda_ops.h"
-#include "bssn_gpu.h"
-#include "bssn_macro.h"
-
-namespace
-{
-enum StageProfileMetric
-{
-  STAGE_PROFILE_TOTAL = 0,
-  STAGE_PROFILE_RHS,
-  STAGE_PROFILE_RUN_STAGE,
-  STAGE_PROFILE_RUN_STAGE_DEVICE,
-  STAGE_PROFILE_RUN_STAGE_HOST_FIX,
-  STAGE_PROFILE_LOWERBOUND,
-  STAGE_PROFILE_ENSURE,
-  STAGE_PROFILE_DOWNLOAD,
-  STAGE_PROFILE_CLEAR_CACHE,
-  STAGE_PROFILE_SYNC_START,
-  STAGE_PROFILE_SYNC_FINISH,
-  STAGE_PROFILE_REFRESH,
-  STAGE_PROFILE_COUNT
-};
-
-static const int kStageProfileMaxLevels = 32;
-
-struct StageProfileStore
-{
-  bool env_checked;
-  bool enabled;
-  int calls[kStageProfileMaxLevels];
-  double metric[kStageProfileMaxLevels][STAGE_PROFILE_COUNT];
-};
-
-StageProfileStore &stage_profile_store()
-{
-  static StageProfileStore store = {};
-  return store;
-}
-
-bool stage_profile_enabled()
-{
-  StageProfileStore &store = stage_profile_store();
-  if (!store.env_checked)
-  {
-    const char *env = getenv("AMSS_GPU_STAGE_TIMING");
-    store.enabled = (env && env[0] && strcmp(env, "0") != 0);
-    store.env_checked = true;
-  }
-  return store.enabled;
-}
-
-void stage_profile_note_call(int lev)
-{
-  if (lev >= 0 && lev < kStageProfileMaxLevels)
-    stage_profile_store().calls[lev]++;
-}
-
-void stage_profile_add(int lev, StageProfileMetric metric, double seconds)
-{
-  if (lev >= 0 && lev < kStageProfileMaxLevels)
-    stage_profile_store().metric[lev][metric] += seconds;
-}
-
-const char *stage_profile_metric_name(StageProfileMetric metric)
-{
-  switch (metric)
-  {
-  case STAGE_PROFILE_TOTAL:
-    return "total";
-  case STAGE_PROFILE_RHS:
-    return "rhs";
-  case STAGE_PROFILE_RUN_STAGE:
-    return "run_stage";
-  case STAGE_PROFILE_RUN_STAGE_DEVICE:
-    return "run_stage_dev";
-  case STAGE_PROFILE_RUN_STAGE_HOST_FIX:
-    return "run_stage_host";
-  case STAGE_PROFILE_LOWERBOUND:
-    return "lower";
-  case STAGE_PROFILE_ENSURE:
-    return "ensure";
-  case STAGE_PROFILE_DOWNLOAD:
-    return "download";
-  case STAGE_PROFILE_CLEAR_CACHE:
-    return "clear_cache";
-  case STAGE_PROFILE_SYNC_START:
-    return "sync_start";
-  case STAGE_PROFILE_SYNC_FINISH:
-    return "sync_finish";
-  case STAGE_PROFILE_REFRESH:
-    return "refresh";
-  default:
-    return "unknown";
-  }
-}
-} // namespace
-
-void bssn_cuda_dump_stage_profile()
-{
-  if (!stage_profile_enabled())
-    return;
-
-  int myrank = 0;
-  MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-
-  StageProfileStore &store = stage_profile_store();
-  int global_calls_sum[kStageProfileMaxLevels] = {};
-  double global_metric_sum[kStageProfileMaxLevels][STAGE_PROFILE_COUNT] = {};
-  double global_metric_max[kStageProfileMaxLevels][STAGE_PROFILE_COUNT] = {};
-
-  MPI_Reduce(store.calls, global_calls_sum, kStageProfileMaxLevels, MPI_INT, MPI_SUM, 0, MPI_COMM_WORLD);
-  MPI_Reduce(store.metric[0], global_metric_sum[0],
-             kStageProfileMaxLevels * STAGE_PROFILE_COUNT,
-             MPI_DOUBLE, MPI_SUM, 0, MPI_COMM_WORLD);
-  MPI_Reduce(store.metric[0], global_metric_max[0],
-             kStageProfileMaxLevels * STAGE_PROFILE_COUNT,
-             MPI_DOUBLE, MPI_MAX, 0, MPI_COMM_WORLD);
-
-  if (myrank != 0)
-    return;
-
-  cout << endl;
-  cout << " GPU stage timing summary (sum/max over MPI ranks) " << endl;
-  cout << " lev  calls";
-  for (int metric = 0; metric < STAGE_PROFILE_COUNT; ++metric)
-    cout << "  " << setw(22) << stage_profile_metric_name(static_cast<StageProfileMetric>(metric));
-  cout << endl;
-
-  for (int lev = 0; lev < kStageProfileMaxLevels; ++lev)
-  {
-    if (global_calls_sum[lev] == 0)
-      continue;
-
-    cout << setw(4) << lev << "  " << setw(5) << global_calls_sum[lev];
-    for (int metric = 0; metric < STAGE_PROFILE_COUNT; ++metric)
-    {
-      cout << "  "
-           << setw(10) << setprecision(6) << fixed << global_metric_sum[lev][metric]
-           << "/"
-           << setw(10) << setprecision(6) << fixed << global_metric_max[lev][metric];
-    }
-    cout << endl;
-  }
-  cout << endl;
-}
-
-void bssn_class::Step_MainPath_GPU(int lev, int YN)
-{
-#ifdef WithShell
-#error "Step_MainPath_GPU currently supports Patch grids only."
-#endif
-
-  const bool profile_enabled = stage_profile_enabled();
-  const double step_total_begin = profile_enabled ? MPI_Wtime() : 0.0;
-  if (profile_enabled)
-    stage_profile_note_call(lev);
-
-  if (bssn_gpu_bind_process_device(myrank))
-  {
-    cerr << "GPU device bind failure on MPI rank " << myrank << endl;
-    MPI_Abort(MPI_COMM_WORLD, 1);
-  }
-  if (profile_enabled)
-  {
-    const double t0 = MPI_Wtime();
-    bssn_gpu_clear_cached_device_buffers();
-    stage_profile_add(lev, STAGE_PROFILE_CLEAR_CACHE, MPI_Wtime() - t0);
-  }
-  else
-    bssn_gpu_clear_cached_device_buffers();
-
-  setpbh(BH_num, Porg0, Mass, BH_num_input);
-
-  const double dT_lev = dT * pow(0.5, Mymax(lev, trfls));
-
-#if (MAPBH == 1)
-  if (BH_num > 0 && lev == GH->levels - 1)
-  {
-    compute_Porg_rhs(Porg0, Porg_rhs, Sfx0, Sfy0, Sfz0, lev);
-    for (int ithBH = 0; ithBH < BH_num; ithBH++)
-    {
-      for (int ith = 0; ith < 3; ith++)
-        Porg1[ithBH][ith] = Porg0[ithBH][ith] + Porg_rhs[ithBH][ith] * dT_lev;
-      if (Symmetry > 0)
-        Porg1[ithBH][2] = fabs(Porg1[ithBH][2]);
-      if (Symmetry == 2)
-      {
-        Porg1[ithBH][0] = fabs(Porg1[ithBH][0]);
-        Porg1[ithBH][1] = fabs(Porg1[ithBH][1]);
-      }
-    }
-  }
-
-  if (lev == a_lev)
-    AnalysisStuff(lev, dT_lev);
-#endif
-
-#ifdef With_AHF
-  AH_Step_Find(lev, dT_lev);
-#endif
-
-  const bool BB = fgt(PhysTime, StartTime, dT_lev / 2);
-  (void)BB;
-  double ndeps = (lev < GH->movls) ? numepsb : numepss;
-  double TRK4 = PhysTime;
-  int iter_count = 0;
-  int pre = 0, cor = 1;
-  int ERROR = 0;
-  const bool keep_stage_sync_on_device = (RPS == 1) && (MAPBH == 1) && (REGLEV == 0);
-
-  auto run_stage_on_block =
-      [&](Block *cg, Patch *patch, MyList<var> *state0_list,
-          MyList<var> *boundary_src_list, MyList<var> *stage_data_list,
-          MyList<var> *rhs_list, int rk_stage) {
-        MyList<var> *varl0 = state0_list;
-        MyList<var> *varlb = boundary_src_list;
-        MyList<var> *varls = stage_data_list;
-        MyList<var> *varlr = rhs_list;
-        std::vector<const double *> batch_state0;
-        std::vector<double *> batch_stage;
-        std::vector<double *> batch_rhs;
-
-        while (varl0)
-        {
-          const bool force_host_boundary_fix = false;
-          const bool can_batch_device_path = (lev > 0) && !force_host_boundary_fix;
-          if (can_batch_device_path)
-          {
-            batch_state0.push_back(cg->fgfs[varl0->data->sgfn]);
-            batch_stage.push_back(cg->fgfs[varls->data->sgfn]);
-            batch_rhs.push_back(cg->fgfs[varlr->data->sgfn]);
-            varl0 = varl0->next;
-            varlb = varlb->next;
-            varls = varls->next;
-            varlr = varlr->next;
-            continue;
-          }
-
-          const double var_begin = profile_enabled ? MPI_Wtime() : 0.0;
-          if (bssn_cuda_rk4_boundary_var(cg->shape, dT_lev,
-                                         cg->X[0], cg->X[1], cg->X[2],
-                                         patch->bbox[0], patch->bbox[1], patch->bbox[2],
-                                         patch->bbox[3], patch->bbox[4], patch->bbox[5],
-                                         cg->fgfs[varl0->data->sgfn],
-                                         cg->fgfs[phi0->sgfn],
-                                         cg->fgfs[Lap0->sgfn],
-                                         cg->fgfs[varlb->data->sgfn],
-                                         cg->fgfs[varls->data->sgfn],
-                                         cg->fgfs[varlr->data->sgfn],
-                                         varl0->data->propspeed,
-                                         varl0->data->SoA,
-                                         Symmetry, lev, rk_stage,
-                                         force_host_boundary_fix, false))
-          {
-            cerr << "GPU rk4/boundary failure: lev=" << lev
-                 << " rk_stage=" << rk_stage
-                 << " var=" << varl0->data->name
-                 << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                 << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                 << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-            ERROR = 1;
-            break;
-          }
-          if (profile_enabled)
-          {
-            stage_profile_add(lev,
-                              force_host_boundary_fix ? STAGE_PROFILE_RUN_STAGE_HOST_FIX
-                                                      : STAGE_PROFILE_RUN_STAGE_DEVICE,
-                              MPI_Wtime() - var_begin);
-          }
-          varl0 = varl0->next;
-          varlb = varlb->next;
-          varls = varls->next;
-          varlr = varlr->next;
-        }
-
-        if (!ERROR && !batch_state0.empty())
-        {
-          const double batch_begin = profile_enabled ? MPI_Wtime() : 0.0;
-          if (bssn_cuda_rk4_boundary_batch(cg->shape, dT_lev,
-                                           cg->X[0], cg->X[1], cg->X[2],
-                                           patch->bbox[0], patch->bbox[1], patch->bbox[2],
-                                           patch->bbox[3], patch->bbox[4], patch->bbox[5],
-                                           Symmetry,
-                                           &batch_state0[0],
-                                           &batch_stage[0],
-                                           &batch_rhs[0],
-                                           static_cast<int>(batch_state0.size()),
-                                           rk_stage, false))
-          {
-            cerr << "GPU rk4/boundary batch failure: lev=" << lev
-                 << " rk_stage=" << rk_stage
-                 << " vars=" << batch_state0.size()
-                 << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                 << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                 << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-            ERROR = 1;
-          }
-          else if (profile_enabled)
-          {
-            stage_profile_add(lev, STAGE_PROFILE_RUN_STAGE_DEVICE, MPI_Wtime() - batch_begin);
-          }
-        }
-      };
-
-  auto stage_download_var_list =
-      [&](Block *cg, MyList<var> *var_list, bool skip_unmapped) {
-        std::vector<double *> batch_host_ptrs;
-        std::vector<MyList<var> *> batch_vars;
-        while (var_list)
-        {
-          double *host_ptr = cg->fgfs[var_list->data->sgfn];
-          if (skip_unmapped && !bssn_gpu_find_device_buffer(host_ptr))
-          {
-            var_list = var_list->next;
-            continue;
-          }
-          batch_host_ptrs.push_back(host_ptr);
-          batch_vars.push_back(var_list);
-          var_list = var_list->next;
-        }
-        if (!batch_host_ptrs.empty() &&
-            bssn_gpu_download_buffer_batch(cg->shape, &batch_host_ptrs[0],
-                                           static_cast<int>(batch_host_ptrs.size())))
-        {
-          for (size_t i = 0; i < batch_host_ptrs.size(); ++i)
-          {
-            if (bssn_cuda_download_buffer(cg->shape, batch_host_ptrs[i]))
-            {
-              cerr << "GPU stage download failure: lev=" << lev
-                   << " var=" << batch_vars[i]->data->name
-                   << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                   << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                   << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-              ERROR = 1;
-              break;
-            }
-          }
-        }
-      };
-
-  auto stage_download_patch_list =
-      [&](MyList<var> *var_list, bool skip_unmapped) {
-        MyList<Patch> *patch_it = GH->PatL[lev];
-        while (patch_it)
-        {
-          MyList<Block> *block_it = patch_it->data->blb;
-          while (block_it)
-          {
-            Block *cg = block_it->data;
-            if (myrank == cg->rank)
-              stage_download_var_list(cg, var_list, skip_unmapped);
-
-            if (block_it == patch_it->data->ble)
-              break;
-            block_it = block_it->next;
-          }
-          if (ERROR)
-            break;
-          patch_it = patch_it->next;
-        }
-      };
-
-  auto ensure_stage_device_var_list =
-      [&](Block *cg, MyList<var> *var_list) {
-        const int n = cg->shape[0] * cg->shape[1] * cg->shape[2];
-        while (var_list)
-        {
-          double *host_ptr = cg->fgfs[var_list->data->sgfn];
-          if (!bssn_gpu_find_device_buffer(host_ptr) &&
-              bssn_gpu_stage_upload_buffer(host_ptr, n))
-          {
-            cerr << "GPU state ensure failure: lev=" << lev
-                 << " var=" << var_list->data->name
-                 << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                 << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                 << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-            ERROR = 1;
-            break;
-          }
-          var_list = var_list->next;
-        }
-      };
-
-  auto refresh_synced_device_regions =
-      [&](Block *cg, MyList<var> *var_list, Parallel::SyncCache &cache) {
-        std::vector<Parallel::gridseg *> local_segments;
-        for (int node = 0; node < cache.cpusize; ++node)
-        {
-          MyList<Parallel::gridseg> *seg = cache.combined_dst[node];
-          while (seg)
-          {
-            if (seg->data && seg->data->Bg == cg)
-              local_segments.push_back(seg->data);
-            seg = seg->next;
-          }
-        }
-
-        if (local_segments.empty())
-          return;
-
-        const int n = cg->shape[0] * cg->shape[1] * cg->shape[2];
-        while (var_list)
-        {
-          double *host_ptr = cg->fgfs[var_list->data->sgfn];
-          if (!bssn_gpu_find_device_buffer(host_ptr))
-          {
-            if (bssn_gpu_stage_upload_buffer(host_ptr, n))
-            {
-              cerr << "GPU sync refresh upload failure: lev=" << lev
-                   << " var=" << var_list->data->name
-                   << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                   << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                   << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-              ERROR = 1;
-              break;
-            }
-          }
-          else
-          {
-            for (size_t i = 0; i < local_segments.size(); ++i)
-            {
-              Parallel::gridseg *seg = local_segments[i];
-              if (bssn_gpu_stage_upload_region(host_ptr,
-                                               cg->shape,
-                                               cg->bbox,
-                                               cg->bbox + dim,
-                                               seg->shape,
-                                               seg->llb))
-              {
-                cerr << "GPU sync region refresh failure: lev=" << lev
-                     << " var=" << var_list->data->name
-                     << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                     << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                     << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-                ERROR = 1;
-                break;
-              }
-            }
-            if (ERROR)
-              break;
-          }
-          var_list = var_list->next;
-        }
-      };
-
-  auto refresh_stage_device_after_sync =
-      [&](MyList<var> *var_list, Parallel::SyncCache &cache) {
-        MyList<Patch> *patch_it = GH->PatL[lev];
-        while (patch_it)
-        {
-          MyList<Block> *block_it = patch_it->data->blb;
-          while (block_it)
-          {
-            Block *cg = block_it->data;
-            if (myrank == cg->rank)
-              refresh_synced_device_regions(cg, var_list, cache);
-
-            if (block_it == patch_it->data->ble)
-              break;
-            block_it = block_it->next;
-          }
-          if (ERROR)
-            break;
-          patch_it = patch_it->next;
-        }
-      };
-
-  auto refresh_stage_host_before_sync =
-      [&](MyList<var> *var_list, Parallel::SyncCache &cache) -> bool {
-        if (!cache.valid || !cache.combined_src || myrank < 0 || myrank >= cache.cpusize)
-          return false;
-
-        MyList<Patch> *patch_it = GH->PatL[lev];
-        while (patch_it)
-        {
-          MyList<Block> *block_it = patch_it->data->blb;
-          while (block_it)
-          {
-            Block *cg = block_it->data;
-            if (myrank == cg->rank)
-            {
-              std::vector<Parallel::gridseg *> local_segments;
-              MyList<Parallel::gridseg> *seg = cache.combined_src[myrank];
-              while (seg)
-              {
-                if (seg->data && seg->data->Bg == cg)
-                  local_segments.push_back(seg->data);
-                seg = seg->next;
-              }
-
-              if (!local_segments.empty())
-              {
-                MyList<var> *var_it = var_list;
-                while (var_it)
-                {
-                  double *host_ptr = cg->fgfs[var_it->data->sgfn];
-                  for (size_t i = 0; i < local_segments.size(); ++i)
-                  {
-                    Parallel::gridseg *src_seg = local_segments[i];
-                    if (bssn_gpu_stage_download_region(host_ptr,
-                                                       cg->shape,
-                                                       cg->bbox,
-                                                       cg->bbox + dim,
-                                                       src_seg->shape,
-                                                       src_seg->llb))
-                    {
-                      cerr << "GPU sync region download failure: lev=" << lev
-                           << " var=" << var_it->data->name
-                           << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                           << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                           << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-                      ERROR = 1;
-                      return true;
-                    }
-                  }
-                  var_it = var_it->next;
-                }
-              }
-            }
-
-            if (block_it == patch_it->data->ble)
-              break;
-            block_it = block_it->next;
-          }
-          patch_it = patch_it->next;
-        }
-
-        return true;
-      };
-
-  auto can_pack_sync_from_device =
-      [&](MyList<var> *var_list, Parallel::SyncCache &cache) -> bool {
-        if (!cache.valid || !cache.combined_src || myrank < 0 || myrank >= cache.cpusize)
-          return false;
-
-        MyList<Parallel::gridseg> *seg = cache.combined_src[myrank];
-        while (seg)
-        {
-          MyList<var> *var_it = var_list;
-          while (var_it)
-          {
-            if (!bssn_gpu_find_device_buffer(seg->data->Bg->fgfs[var_it->data->sgfn]))
-              return false;
-            var_it = var_it->next;
-          }
-          seg = seg->next;
-        }
-        return true;
-      };
-
-  MyList<Patch> *Pp = GH->PatL[lev];
-  while (Pp)
-  {
-    MyList<Block> *BP = Pp->data->blb;
-    while (BP)
-    {
-      Block *cg = BP->data;
-      if (myrank == cg->rank)
-      {
-        double t0 = 0.0;
-        if (profile_enabled)
-          t0 = MPI_Wtime();
-        if (gpu_rhs(CALLED_BY_STEP, myrank, RHS_PARA_CALLED_FIRST_TIME))
-          ERROR = 1;
-        if (profile_enabled)
-          stage_profile_add(lev, STAGE_PROFILE_RHS, MPI_Wtime() - t0);
-
-        if (profile_enabled)
-          t0 = MPI_Wtime();
-        run_stage_on_block(cg, Pp->data, StateList, StateList, SynchList_pre, RHSList, iter_count);
-        if (profile_enabled)
-          stage_profile_add(lev, STAGE_PROFILE_RUN_STAGE, MPI_Wtime() - t0);
-
-        if (profile_enabled)
-          t0 = MPI_Wtime();
-        if (bssn_cuda_lowerbound(cg->shape, cg->fgfs[phi->sgfn], chitiny, false))
-        {
-          cerr << "GPU lowerbound failure: lev=" << lev
-               << " rk_stage=" << iter_count
-               << " var=" << phi->name
-               << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-               << cg->bbox[1] << ":" << cg->bbox[4] << ","
-               << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-          ERROR = 1;
-        }
-        if (profile_enabled)
-          stage_profile_add(lev, STAGE_PROFILE_LOWERBOUND, MPI_Wtime() - t0);
-      }
-      if (BP == Pp->data->ble)
-        break;
-      BP = BP->next;
-    }
-    Pp = Pp->next;
-  }
-
-  if (!ERROR)
-  {
-    if (!keep_stage_sync_on_device)
-    {
-      double t0 = 0.0;
-      if (profile_enabled)
-        t0 = MPI_Wtime();
-      stage_download_patch_list(SynchList_pre, false);
-      if (profile_enabled)
-        stage_profile_add(lev, STAGE_PROFILE_DOWNLOAD, MPI_Wtime() - t0);
-      if (!ERROR)
-      {
-        if (profile_enabled)
-          t0 = MPI_Wtime();
-        bssn_gpu_clear_cached_device_buffers();
-        if (profile_enabled)
-          stage_profile_add(lev, STAGE_PROFILE_CLEAR_CACHE, MPI_Wtime() - t0);
-      }
-    }
-  }
-
-  MPI_Request err_req_pre;
-  {
-    int erh = ERROR;
-    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_pre);
-  }
-
-  Parallel::AsyncSyncState async_pre;
-  if (profile_enabled)
-  {
-    const double t0 = MPI_Wtime();
-    Parallel::Sync_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
-    stage_profile_add(lev, STAGE_PROFILE_SYNC_START, MPI_Wtime() - t0);
-  }
-  else
-    Parallel::Sync_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
-  if (profile_enabled)
-  {
-    const double t0 = MPI_Wtime();
-    Parallel::Sync_finish(sync_cache_pre[lev], async_pre, SynchList_pre, Symmetry,
-                          !keep_stage_sync_on_device);
-    stage_profile_add(lev, STAGE_PROFILE_SYNC_FINISH, MPI_Wtime() - t0);
-  }
-  else
-    Parallel::Sync_finish(sync_cache_pre[lev], async_pre, SynchList_pre, Symmetry,
-                          !keep_stage_sync_on_device);
-  if (!ERROR && !keep_stage_sync_on_device)
-  {
-    if (profile_enabled)
-    {
-      const double t0 = MPI_Wtime();
-      refresh_stage_device_after_sync(SynchList_pre, sync_cache_pre[lev]);
-      stage_profile_add(lev, STAGE_PROFILE_REFRESH, MPI_Wtime() - t0);
-    }
-    else
-      refresh_stage_device_after_sync(SynchList_pre, sync_cache_pre[lev]);
-  }
-
-  MPI_Wait(&err_req_pre, MPI_STATUS_IGNORE);
-  if (ERROR)
-  {
-    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime
-                              << ", lev = " << lev << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
-  }
-
-#if (MAPBH == 0)
-  if (BH_num > 0 && lev == GH->levels - 1)
-  {
-    compute_Porg_rhs(Porg0, Porg_rhs, Sfx0, Sfy0, Sfz0, lev);
-    for (int ithBH = 0; ithBH < BH_num; ithBH++)
-    {
-      f_rungekutta4_scalar(dT_lev, Porg0[ithBH][0], Porg[ithBH][0], Porg_rhs[ithBH][0], iter_count);
-      f_rungekutta4_scalar(dT_lev, Porg0[ithBH][1], Porg[ithBH][1], Porg_rhs[ithBH][1], iter_count);
-      f_rungekutta4_scalar(dT_lev, Porg0[ithBH][2], Porg[ithBH][2], Porg_rhs[ithBH][2], iter_count);
-      if (Symmetry > 0)
-        Porg[ithBH][2] = fabs(Porg[ithBH][2]);
-      if (Symmetry == 2)
-      {
-        Porg[ithBH][0] = fabs(Porg[ithBH][0]);
-        Porg[ithBH][1] = fabs(Porg[ithBH][1]);
-      }
-    }
-  }
-
-  if (lev == a_lev)
-    AnalysisStuff(lev, dT_lev);
-#endif
-
-  for (iter_count = 1; iter_count < 4; iter_count++)
-  {
-    if (iter_count == 1 || iter_count == 3)
-      TRK4 += dT_lev / 2;
-
-    Pp = GH->PatL[lev];
-    while (Pp)
-    {
-      MyList<Block> *BP = Pp->data->blb;
-      while (BP)
-      {
-        Block *cg = BP->data;
-        if (myrank == cg->rank)
-        {
-          double t0 = 0.0;
-          if (profile_enabled)
-            t0 = MPI_Wtime();
-          ensure_stage_device_var_list(cg, SynchList_pre);
-          if (profile_enabled)
-            stage_profile_add(lev, STAGE_PROFILE_ENSURE, MPI_Wtime() - t0);
-
-          if (profile_enabled)
-            t0 = MPI_Wtime();
-          if (gpu_rhs(CALLED_BY_STEP, myrank, RHS_PARA_CALLED_THEN))
-            ERROR = 1;
-          if (profile_enabled)
-            stage_profile_add(lev, STAGE_PROFILE_RHS, MPI_Wtime() - t0);
-
-          if (profile_enabled)
-            t0 = MPI_Wtime();
-          run_stage_on_block(cg, Pp->data, StateList, SynchList_pre, SynchList_cor, RHSList, iter_count);
-          if (profile_enabled)
-            stage_profile_add(lev, STAGE_PROFILE_RUN_STAGE, MPI_Wtime() - t0);
-
-          if (profile_enabled)
-            t0 = MPI_Wtime();
-          if (bssn_cuda_lowerbound(cg->shape, cg->fgfs[phi1->sgfn], chitiny, false))
-          {
-          cerr << "GPU lowerbound failure: lev=" << lev
-               << " rk_stage=" << iter_count
-               << " var=" << phi1->name
-                 << " bbox=(" << cg->bbox[0] << ":" << cg->bbox[3] << ","
-                 << cg->bbox[1] << ":" << cg->bbox[4] << ","
-                 << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
-            ERROR = 1;
-          }
-          if (profile_enabled)
-            stage_profile_add(lev, STAGE_PROFILE_LOWERBOUND, MPI_Wtime() - t0);
-        }
-
-        if (BP == Pp->data->ble)
-          break;
-        BP = BP->next;
-      }
-      Pp = Pp->next;
-    }
-
-    if (!ERROR)
-    {
-      if (!keep_stage_sync_on_device)
-      {
-        double t0 = 0.0;
-        if (profile_enabled)
-          t0 = MPI_Wtime();
-        stage_download_patch_list(SynchList_cor, false);
-        if (profile_enabled)
-          stage_profile_add(lev, STAGE_PROFILE_DOWNLOAD, MPI_Wtime() - t0);
-        if (!ERROR)
-        {
-          if (profile_enabled)
-            t0 = MPI_Wtime();
-          bssn_gpu_clear_cached_device_buffers();
-          if (profile_enabled)
-            stage_profile_add(lev, STAGE_PROFILE_CLEAR_CACHE, MPI_Wtime() - t0);
-        }
-      }
-    }
-
-    MPI_Request err_req_cor;
-    {
-      int erh = ERROR;
-      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_cor);
-    }
-
-    Parallel::AsyncSyncState async_cor;
-    if (profile_enabled)
-    {
-      const double t0 = MPI_Wtime();
-      Parallel::Sync_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
-      stage_profile_add(lev, STAGE_PROFILE_SYNC_START, MPI_Wtime() - t0);
-    }
-    else
-      Parallel::Sync_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
-    if (profile_enabled)
-    {
-      const double t0 = MPI_Wtime();
-      Parallel::Sync_finish(sync_cache_cor[lev], async_cor, SynchList_cor, Symmetry,
-                            !keep_stage_sync_on_device);
-      stage_profile_add(lev, STAGE_PROFILE_SYNC_FINISH, MPI_Wtime() - t0);
-    }
-    else
-      Parallel::Sync_finish(sync_cache_cor[lev], async_cor, SynchList_cor, Symmetry,
-                            !keep_stage_sync_on_device);
-    if (!ERROR && !keep_stage_sync_on_device && iter_count < 3)
-    {
-      if (profile_enabled)
-      {
-        const double t0 = MPI_Wtime();
-        refresh_stage_device_after_sync(SynchList_cor, sync_cache_cor[lev]);
-        stage_profile_add(lev, STAGE_PROFILE_REFRESH, MPI_Wtime() - t0);
-      }
-      else
-        refresh_stage_device_after_sync(SynchList_cor, sync_cache_cor[lev]);
-    }
-
-    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
-    if (ERROR)
-    {
-      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count
-                                << " variables at t = " << PhysTime
-                                << ", lev = " << lev << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
-
-#if (MAPBH == 0)
-    if (BH_num > 0 && lev == GH->levels - 1)
-    {
-      compute_Porg_rhs(Porg, Porg1, Sfx, Sfy, Sfz, lev);
-      for (int ithBH = 0; ithBH < BH_num; ithBH++)
-      {
-        f_rungekutta4_scalar(dT_lev, Porg0[ithBH][0], Porg1[ithBH][0], Porg_rhs[ithBH][0], iter_count);
-        f_rungekutta4_scalar(dT_lev, Porg0[ithBH][1], Porg1[ithBH][1], Porg_rhs[ithBH][1], iter_count);
-        f_rungekutta4_scalar(dT_lev, Porg0[ithBH][2], Porg1[ithBH][2], Porg_rhs[ithBH][2], iter_count);
-        if (Symmetry > 0)
-          Porg1[ithBH][2] = fabs(Porg1[ithBH][2]);
-        if (Symmetry == 2)
-        {
-          Porg1[ithBH][0] = fabs(Porg1[ithBH][0]);
-          Porg1[ithBH][1] = fabs(Porg1[ithBH][1]);
-        }
-      }
-    }
-#endif
-
-    if (iter_count < 3)
-    {
-      Pp = GH->PatL[lev];
-      while (Pp)
-      {
-        MyList<Block> *BP = Pp->data->blb;
-        while (BP)
-        {
-          BP->data->swapList(SynchList_pre, SynchList_cor, myrank);
-          if (BP == Pp->data->ble)
-            break;
-          BP = BP->next;
-        }
-        Pp = Pp->next;
-      }
-
-#if (MAPBH == 0)
-      if (BH_num > 0 && lev == GH->levels - 1)
-      {
-        for (int ithBH = 0; ithBH < BH_num; ithBH++)
-        {
-          Porg[ithBH][0] = Porg1[ithBH][0];
-          Porg[ithBH][1] = Porg1[ithBH][1];
-          Porg[ithBH][2] = Porg1[ithBH][2];
-        }
-      }
-#endif
-    }
-  }
-
-#if (RPS == 0)
-  RestrictProlong(lev, YN, BB);
-#endif
-
-  Pp = GH->PatL[lev];
-  while (Pp)
-  {
-    MyList<Block> *BP = Pp->data->blb;
-    while (BP)
-    {
-      Block *cg = BP->data;
-      cg->swapList(StateList, SynchList_cor, myrank);
-      cg->swapList(OldStateList, SynchList_cor, myrank);
-      if (BP == Pp->data->ble)
-        break;
-      BP = BP->next;
-    }
-    Pp = Pp->next;
-  }
-
-  if (!ERROR && keep_stage_sync_on_device)
-  {
-    // After the swaps above, only StateList points at arrays updated during this step.
-    // OldStateList/SynchList_cor remain valid on host because their backing arrays were
-    // read-only during the RK step, and SynchList_pre is reused only as scratch later.
-    const double t0 = profile_enabled ? MPI_Wtime() : 0.0;
-    stage_download_patch_list(StateList, true);
-    if (profile_enabled)
-      stage_profile_add(lev, STAGE_PROFILE_DOWNLOAD, MPI_Wtime() - t0);
-  }
-
-  if (profile_enabled)
-  {
-    const double t0 = MPI_Wtime();
-    bssn_gpu_clear_cached_device_buffers();
-    stage_profile_add(lev, STAGE_PROFILE_CLEAR_CACHE, MPI_Wtime() - t0);
-  }
-  else
-    bssn_gpu_clear_cached_device_buffers();
-
-  if (BH_num > 0 && lev == GH->levels - 1)
-  {
-    for (int ithBH = 0; ithBH < BH_num; ithBH++)
-    {
-      Porg0[ithBH][0] = Porg1[ithBH][0];
-      Porg0[ithBH][1] = Porg1[ithBH][1];
-      Porg0[ithBH][2] = Porg1[ithBH][2];
-    }
-  }
-
-  if (profile_enabled)
-    stage_profile_add(lev, STAGE_PROFILE_TOTAL, MPI_Wtime() - step_total_begin);
-}
-
-#endif

AMSS_NCKU_source/bssn_gpu.h

@@ -4,6 +4,8 @@
 #include "bssn_macro.h"
 #include "macrodef.fh"
 
+#define DEVICE_ID 0
+// #define DEVICE_ID_BY_MPI_RANK
 #define GRID_DIM 256
 #define BLOCK_DIM 128
 
@@ -65,42 +67,6 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,
 
 int gpu_rhs_ss(RHS_SS_PARA);
 
-int bssn_gpu_bind_process_device(int mpi_rank);
-void bssn_gpu_clear_cached_device_buffers();
-void bssn_gpu_release_pinned_host_buffers();
-const double *bssn_gpu_find_device_buffer(const double *host_ptr);
-void bssn_gpu_register_device_buffer(const double *host_ptr, const double *device_ptr);
-void bssn_gpu_prepare_host_buffer(const double *host_ptr, int count);
-int bssn_gpu_stage_upload_buffer(const double *host_ptr, int count);
-int bssn_gpu_stage_zero_buffer(const double *host_ptr, int count);
-int bssn_gpu_stage_upload_region(const double *host_ptr,
-                                 const int *full_shape,
-                                 const double *full_llb,
-                                 const double *full_uub,
-                                 const int *region_shape,
-                                 const double *region_llb);
-int bssn_gpu_stage_download_region(double *host_ptr,
-                                   const int *full_shape,
-                                   const double *full_llb,
-                                   const double *full_uub,
-                                   const int *region_shape,
-                                   const double *region_llb);
-int bssn_gpu_stage_download_region_to_buffer(const double *host_src_ptr,
-                                             const int *full_shape,
-                                             const double *full_llb,
-                                             const double *full_uub,
-                                             const int *region_shape,
-                                             const double *region_llb,
-                                             double *host_dst_ptr);
-int bssn_gpu_stage_upload_buffer_to_region(const double *host_src_ptr,
-                                           double *host_dst_ptr,
-                                           const int *full_shape,
-                                           const double *full_llb,
-                                           const double *full_uub,
-                                           const int *region_shape,
-                                           const double *region_llb);
-int bssn_gpu_download_buffer_batch(const int *ex, double **host_ptrs, int num_buffers);
-
 /** Init GPU side data in GPUMeta. */
 // void init_fluid_meta_gpu(GPUMeta *gpu_meta);
 

AMSS_NCKU_source/bssn_macro.h

@@ -68,7 +68,6 @@ if(TIME_COUNT_EACH_RANK == 1){\
 //3---------------------GPU---------------------
 #define CALLED_BY_STEP 0
 #define CALLED_BY_CONSTRAINT 1
-#define CALLED_BY_CONSTRAINT_CONS_ONLY 2
 
 #define RHS_PARA_CALLED_FIRST_TIME 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],cg->fgfs[Axx0->sgfn],cg->fgfs[Axy0->sgfn],cg->fgfs[Axz0->sgfn],cg->fgfs[Ayy0->sgfn],cg->fgfs[Ayz0->sgfn],cg->fgfs[Azz0->sgfn],cg->fgfs[Gmx0->sgfn],cg->fgfs[Gmy0->sgfn],cg->fgfs[Gmz0->sgfn],cg->fgfs[Lap0->sgfn],cg->fgfs[Sfx0->sgfn],cg->fgfs[Sfy0->sgfn],cg->fgfs[Sfz0->sgfn],cg->fgfs[dtSfx0->sgfn],cg->fgfs[dtSfy0->sgfn],cg->fgfs[dtSfz0->sgfn],cg->fgfs[phi_rhs->sgfn],cg->fgfs[trK_rhs->sgfn],cg->fgfs[gxx_rhs->sgfn],cg->fgfs[gxy_rhs->sgfn],cg->fgfs[gxz_rhs->sgfn],cg->fgfs[gyy_rhs->sgfn],cg->fgfs[gyz_rhs->sgfn],cg->fgfs[gzz_rhs->sgfn],cg->fgfs[Axx_rhs->sgfn],cg->fgfs[Axy_rhs->sgfn],cg->fgfs[Axz_rhs->sgfn],cg->fgfs[Ayy_rhs->sgfn],cg->fgfs[Ayz_rhs->sgfn],cg->fgfs[Azz_rhs->sgfn],cg->fgfs[Gmx_rhs->sgfn],cg->fgfs[Gmy_rhs->sgfn],cg->fgfs[Gmz_rhs->sgfn],cg->fgfs[Lap_rhs->sgfn],cg->fgfs[Sfx_rhs->sgfn],cg->fgfs[Sfy_rhs->sgfn],cg->fgfs[Sfz_rhs->sgfn],cg->fgfs[dtSfx_rhs->sgfn],cg->fgfs[dtSfy_rhs->sgfn],cg->fgfs[dtSfz_rhs->sgfn],cg->fgfs[rho->sgfn],cg->fgfs[Sx->sgfn],cg->fgfs[Sy->sgfn],cg->fgfs[Sz->sgfn],cg->fgfs[Sxx->sgfn],cg->fgfs[Sxy->sgfn],cg->fgfs[Sxz->sgfn],cg->fgfs[Syy->sgfn],cg->fgfs[Syz->sgfn],cg->fgfs[Szz->sgfn],cg->fgfs[Gamxxx->sgfn],cg->fgfs[Gamxxy->sgfn],cg->fgfs[Gamxxz->sgfn],cg->fgfs[Gamxyy->sgfn],cg->fgfs[Gamxyz->sgfn],cg->fgfs[Gamxzz->sgfn],cg->fgfs[Gamyxx->sgfn],cg->fgfs[Gamyxy->sgfn],cg->fgfs[Gamyxz->sgfn],cg->fgfs[Gamyyy->sgfn],cg->fgfs[Gamyyz->sgfn],cg->fgfs[Gamyzz->sgfn],cg->fgfs[Gamzxx->sgfn],cg->fgfs[Gamzxy->sgfn],cg->fgfs[Gamzxz->sgfn],cg->fgfs[Gamzyy->sgfn],cg->fgfs[Gamzyz->sgfn],cg->fgfs[Gamzzz->sgfn],cg->fgfs[Rxx->sgfn],cg->fgfs[Rxy->sgfn],cg->fgfs[Rxz->sgfn],cg->fgfs[Ryy->sgfn],cg->fgfs[Ryz->sgfn],cg->fgfs[Rzz->sgfn],cg->fgfs[Cons_Ham->sgfn],cg->fgfs[Cons_Px->sgfn],cg->fgfs[Cons_Py->sgfn],cg->fgfs[Cons_Pz->sgfn],cg->fgfs[Cons_Gx->sgfn],cg->fgfs[Cons_Gy->sgfn],cg->fgfs[Cons_Gz->sgfn],Symmetry,lev,ndeps,pre
 

AMSS_NCKU_source/bssn_rhs.h

@@ -32,6 +32,19 @@
 #define f_compute_rhs_Z4c_ss compute_rhs_z4c_ss_
 #define f_compute_constraint_fr compute_constraint_fr_
 #endif
+
+#ifdef __cplusplus
+extern "C"
+{
+#endif
+        void f_bssn_rhs_kernel_timing_reset();
+        int f_bssn_rhs_kernel_timing_bucket_count();
+        const double *f_bssn_rhs_kernel_timing_local_seconds();
+        const char *f_bssn_rhs_kernel_timing_label(int);
+#ifdef __cplusplus
+}
+#endif
+
 extern "C"
 {
         int f_compute_rhs_bssn(int *, double &, double *, double *, double *,                                                      // ex,T,X,Y,Z

AMSS_NCKU_source/bssn_rhs_c.C

@@ -2,12 +2,88 @@
 #include "bssn_rhs.h"
 #include "share_func.h"
 #include "tool.h"
+#include <time.h>
 // 0-based i,j,k
 // #define IDX_F(i,j,k,nx,ny) ((i) + (j)*(nx) + (k)*(nx)*(ny))
 // ex(1)=nx, ex(2)=ny, ex(3)=nz
 
 // 用法：a[ IDX_F(i,j,k,nx,ny) ]
 
+#ifndef BSSN_KERNEL_FINE_TIMING
+#define BSSN_KERNEL_FINE_TIMING 0
+#endif
+
+#if BSSN_KERNEL_FINE_TIMING
+namespace rhs_kernel_timing
+{
+    enum Bucket
+    {
+        KB_SETUP_DERIVS = 0,
+        KB_GEOM_GAMMA,
+        KB_RICCI_METRIC,
+        KB_CHI_LAPSE,
+        KB_AIJ_TRK_GAUGE,
+        KB_KO_CONSTRAINT,
+        KB_COUNT
+    };
+
+    static double local_bucket_seconds[KB_COUNT];
+
+    static const char *bucket_labels[KB_COUNT] =
+    {
+        "setup_derivs",
+        "geom_gamma",
+        "ricci_metric",
+        "chi_lapse",
+        "aij_trk_gauge",
+        "ko_constraint"
+    };
+
+    static inline double now_seconds()
+    {
+        struct timespec ts;
+        clock_gettime(CLOCK_MONOTONIC, &ts);
+        return double(ts.tv_sec) + 1.0e-9 * double(ts.tv_nsec);
+    }
+}
+
+extern "C" void f_bssn_rhs_kernel_timing_reset()
+{
+    for (int i = 0; i < rhs_kernel_timing::KB_COUNT; ++i)
+        rhs_kernel_timing::local_bucket_seconds[i] = 0.0;
+}
+
+extern "C" int f_bssn_rhs_kernel_timing_bucket_count()
+{
+    return rhs_kernel_timing::KB_COUNT;
+}
+
+extern "C" const double *f_bssn_rhs_kernel_timing_local_seconds()
+{
+    return rhs_kernel_timing::local_bucket_seconds;
+}
+
+extern "C" const char *f_bssn_rhs_kernel_timing_label(int bucket_index)
+{
+    if (bucket_index < 0 || bucket_index >= rhs_kernel_timing::KB_COUNT)
+        return "unknown";
+    return rhs_kernel_timing::bucket_labels[bucket_index];
+}
+
+#define RHS_KERNEL_TIMER_DECL(var_name) const double var_name = rhs_kernel_timing::now_seconds()
+#define RHS_KERNEL_TIMER_ADD(bucket_name, var_name) \
+    rhs_kernel_timing::local_bucket_seconds[int(rhs_kernel_timing::bucket_name)] += \
+        rhs_kernel_timing::now_seconds() - (var_name)
+#else
+extern "C" void f_bssn_rhs_kernel_timing_reset() {}
+extern "C" int f_bssn_rhs_kernel_timing_bucket_count() { return 0; }
+extern "C" const double *f_bssn_rhs_kernel_timing_local_seconds() { return 0; }
+extern "C" const char *f_bssn_rhs_kernel_timing_label(int) { return "disabled"; }
+
+#define RHS_KERNEL_TIMER_DECL(var_name)
+#define RHS_KERNEL_TIMER_ADD(bucket_name, var_name)
+#endif
+
 // C function that calculates the right-hand side for BSSN equations
 int f_compute_rhs_bssn(int *ex, double &T, 
                        double *X, double *Y, double *Z,
@@ -102,6 +178,7 @@ int f_compute_rhs_bssn(int *ex, double &T,
     dY = Y[1] - Y[0];
     dZ = Z[1] - Z[0];
 
+        RHS_KERNEL_TIMER_DECL(timer_setup_derivs);
         // 1ms //
         for(int i=0;i<all;i+=1){
             alpn1[i] = Lap[i] + 1.0;
@@ -141,6 +218,8 @@ int f_compute_rhs_bssn(int *ex, double &T,
                         (dxx[i] + ONE) * betaxz[i] + gxy[i] * betayz[i] + gyz[i] * betayx[i] 
                         + (dzz[i] + ONE) * betazx[i] - gxz[i] * betayy[i];                  
         }
+        RHS_KERNEL_TIMER_ADD(KB_SETUP_DERIVS, timer_setup_derivs);
+        RHS_KERNEL_TIMER_DECL(timer_geom_gamma);
         // Fused: inverse metric + Gamma constraint + Christoffel (3 loops -> 1)
         for(int i=0;i<all;i+=1){
             double det = (dxx[i] + ONE) * (dyy[i] + ONE) * (dzz[i] + ONE) + gxy[i] * gyz[i] * gxz[i] + gxz[i] * gxy[i] * gyz[i] -
@@ -283,9 +362,6 @@ int f_compute_rhs_bssn(int *ex, double &T,
                 + ( gupxy[i]*gupyz[i] + gupyy[i]*gupxz[i] ) * Axy[i]
                 + ( gupxy[i]*gupzz[i] + gupyz[i]*gupxz[i] ) * Axz[i]
                 + ( gupyy[i]*gupzz[i] + gupyz[i]*gupyz[i] ) * Ayz[i];
-            Rxx[i] = axx; Ryy[i] = ayy; Rzz[i] = azz;
-            Rxy[i] = axy; Rxz[i] = axz; Ryz[i] = ayz;
-
             Gamx_rhs[i] = - TWO * ( Lapx[i]*axx + Lapy[i]*axy + Lapz[i]*axz ) +
                 TWO * alpn1[i] * (
                 -F3o2/chin1[i] * ( chix[i]*axx + chiy[i]*axy + chiz[i]*axz ) -
@@ -315,6 +391,8 @@ int f_compute_rhs_bssn(int *ex, double &T,
                             + TWO * ( Gamzxy[i]*axy + Gamzxz[i]*axz + Gamzyz[i]*ayz )
                         );
         }
+        RHS_KERNEL_TIMER_ADD(KB_GEOM_GAMMA, timer_geom_gamma);
+        RHS_KERNEL_TIMER_DECL(timer_ricci_metric);
         // 22.3ms //
         fdderivs(ex,betax,gxxx,gxyx,gxzx,gyyx,gyzx,gzzx,
         X,Y,Z,ANTI,SYM, SYM ,Symmetry,Lev);
@@ -332,7 +410,6 @@ int f_compute_rhs_bssn(int *ex, double &T,
             double lfxx = gxxx[i] + gxyy[i] + gxzz[i];
             double lfxy = gxyx[i] + gyyy[i] + gyzz[i];
             double lfxz = gxzx[i] + gyzy[i] + gzzz[i];
-            fxx[i] = lfxx; fxy[i] = lfxy; fxz[i] = lfxz;
 
             double gxa = gupxx[i]*Gamxxx[i] + gupyy[i]*Gamxyy[i] + gupzz[i]*Gamxzz[i]
                     + TWO * ( gupxy[i]*Gamxxy[i] + gupxz[i]*Gamxxz[i] + gupyz[i]*Gamxyz[i] );
@@ -686,69 +763,74 @@ int f_compute_rhs_bssn(int *ex, double &T,
                     + Gamxyz[i] * gzzx[i] + Gamyyz[i] * gzzy[i] + Gamzyz[i] * gzzz[i]
                 );
         }
+        RHS_KERNEL_TIMER_ADD(KB_RICCI_METRIC, timer_ricci_metric);
 
+        RHS_KERNEL_TIMER_DECL(timer_chi_lapse);
         // 22.3ms //
             fdderivs(ex,chi,fxx,fxy,fxz,fyy,fyz,fzz,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev);
 
         // 7ms //
         for (int i=0;i<all;i+=1) {
-            fxx[i] = fxx[i] - Gamxxx[i] * chix[i] - Gamyxx[i] * chiy[i] - Gamzxx[i] * chiz[i];
+            const double inv_chin1 = ONE / chin1[i];
-            fxy[i] = fxy[i] - Gamxxy[i] * chix[i] - Gamyxy[i] * chiy[i] - Gamzxy[i] * chiz[i];
+            const double half_inv_chin1 = HALF * inv_chin1;
-            fxz[i] = fxz[i] - Gamxxz[i] * chix[i] - Gamyxz[i] * chiy[i] - Gamzxz[i] * chiz[i];
+            const double scaled_inv = F3o2 * inv_chin1;
-            fyy[i] = fyy[i] - Gamxyy[i] * chix[i] - Gamyyy[i] * chiy[i] - Gamzyy[i] * chiz[i];
+            const double cxx = fxx[i] - Gamxxx[i] * chix[i] - Gamyxx[i] * chiy[i] - Gamzxx[i] * chiz[i];
-            fyz[i] = fyz[i] - Gamxyz[i] * chix[i] - Gamyyz[i] * chiy[i] - Gamzyz[i] * chiz[i];
+            const double cxy = fxy[i] - Gamxxy[i] * chix[i] - Gamyxy[i] * chiy[i] - Gamzxy[i] * chiz[i];
-            fzz[i] = fzz[i] - Gamxzz[i] * chix[i] - Gamyzz[i] * chiy[i] - Gamzzz[i] * chiz[i];
+            const double cxz = fxz[i] - Gamxxz[i] * chix[i] - Gamyxz[i] * chiy[i] - Gamzxz[i] * chiz[i];
-            f[i] =
+            const double cyy = fyy[i] - Gamxyy[i] * chix[i] - Gamyyy[i] * chiy[i] - Gamzyy[i] * chiz[i];
-                gupxx[i] * (fxx[i] - (F3o2 / chin1[i]) * chix[i] * chix[i])
+            const double cyz = fyz[i] - Gamxyz[i] * chix[i] - Gamyyz[i] * chiy[i] - Gamzyz[i] * chiz[i];
-                + gupyy[i] * (fyy[i] - (F3o2 / chin1[i]) * chiy[i] * chiy[i])
+            const double czz = fzz[i] - Gamxzz[i] * chix[i] - Gamyzz[i] * chiy[i] - Gamzzz[i] * chiz[i];
-                + gupzz[i] * (fzz[i] - (F3o2 / chin1[i]) * chiz[i] * chiz[i])
+            const double ricci_chi =
-                + TWO * gupxy[i] * (fxy[i] - (F3o2 / chin1[i]) * chix[i] * chiy[i])
+                gupxx[i] * (cxx - scaled_inv * chix[i] * chix[i])
-                + TWO * gupxz[i] * (fxz[i] - (F3o2 / chin1[i]) * chix[i] * chiz[i])
+                + gupyy[i] * (cyy - scaled_inv * chiy[i] * chiy[i])
-                + TWO * gupyz[i] * (fyz[i] - (F3o2 / chin1[i]) * chiy[i] * chiz[i]);
+                + gupzz[i] * (czz - scaled_inv * chiz[i] * chiz[i])
-            Rxx[i] = Rxx[i] + ( fxx[i] - (chix[i] * chix[i]) / (chin1[i] * TWO) + (dxx[i] + ONE) * f[i] ) / (chin1[i] * TWO);
+                + TWO * gupxy[i] * (cxy - scaled_inv * chix[i] * chiy[i])
-            Ryy[i] = Ryy[i] + ( fyy[i] - (chiy[i] * chiy[i]) / (chin1[i] * TWO) + (dyy[i] + ONE) * f[i] ) / (chin1[i] * TWO);
+                + TWO * gupxz[i] * (cxz - scaled_inv * chix[i] * chiz[i])
-            Rzz[i] = Rzz[i] + ( fzz[i] - (chiz[i] * chiz[i]) / (chin1[i] * TWO) + (dzz[i] + ONE) * f[i] ) / (chin1[i] * TWO);
+                + TWO * gupyz[i] * (cyz - scaled_inv * chiy[i] * chiz[i]);
+            f[i] = ricci_chi;
+            Rxx[i] = Rxx[i] + ( cxx - half_inv_chin1 * chix[i] * chix[i] + (dxx[i] + ONE) * ricci_chi ) * half_inv_chin1;
+            Ryy[i] = Ryy[i] + ( cyy - half_inv_chin1 * chiy[i] * chiy[i] + (dyy[i] + ONE) * ricci_chi ) * half_inv_chin1;
+            Rzz[i] = Rzz[i] + ( czz - half_inv_chin1 * chiz[i] * chiz[i] + (dzz[i] + ONE) * ricci_chi ) * half_inv_chin1;
 
-            Rxy[i] = Rxy[i] + ( fxy[i] - (chix[i] * chiy[i]) / (chin1[i] * TWO) + gxy[i] * f[i] ) / (chin1[i] * TWO);
+            Rxy[i] = Rxy[i] + ( cxy - half_inv_chin1 * chix[i] * chiy[i] + gxy[i] * ricci_chi ) * half_inv_chin1;
-            Rxz[i] = Rxz[i] + ( fxz[i] - (chix[i] * chiz[i]) / (chin1[i] * TWO) + gxz[i] * f[i] ) / (chin1[i] * TWO);
+            Rxz[i] = Rxz[i] + ( cxz - half_inv_chin1 * chix[i] * chiz[i] + gxz[i] * ricci_chi ) * half_inv_chin1;
-            Ryz[i] = Ryz[i] + ( fyz[i] - (chiy[i] * chiz[i]) / (chin1[i] * TWO) + gyz[i] * f[i] ) / (chin1[i] * TWO);
+            Ryz[i] = Ryz[i] + ( cyz - half_inv_chin1 * chiy[i] * chiz[i] + gyz[i] * ricci_chi ) * half_inv_chin1;
         }
 
         // 24ms //
         fdderivs(ex,Lap,fxx,fxy,fxz,fyy,fyz,fzz,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev);
-        fderivs(ex,chi,dtSfx_rhs,dtSfy_rhs,dtSfz_rhs,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev);
 
         // 6ms //
         for (int i=0;i<all;i+=1) {
-            /* gxxx,gxxy,gxxz (这里是“升指标后的chi导数/chi”那类量，你沿用原变量名即可) */
+            const double inv_chin1 = ONE / chin1[i];
-            gxxx[i] = (gupxx[i] * chix[i] + gupxy[i] * chiy[i] + gupxz[i] * chiz[i]) / chin1[i];
+            const double gchi_x = (gupxx[i] * chix[i] + gupxy[i] * chiy[i] + gupxz[i] * chiz[i]) * inv_chin1;
-            gxxy[i] = (gupxy[i] * chix[i] + gupyy[i] * chiy[i] + gupyz[i] * chiz[i]) / chin1[i];
+            const double gchi_y = (gupxy[i] * chix[i] + gupyy[i] * chiy[i] + gupyz[i] * chiz[i]) * inv_chin1;
-            gxxz[i] = (gupxz[i] * chix[i] + gupyz[i] * chiy[i] + gupzz[i] * chiz[i]) / chin1[i];
+            const double gchi_z = (gupxz[i] * chix[i] + gupyz[i] * chiy[i] + gupzz[i] * chiz[i]) * inv_chin1;
 
             /* Christoffel 修正项 */
-            Gamxxx[i] = Gamxxx[i] - ( ((chix[i] + chix[i]) / chin1[i]) - (dxx[i] + ONE) * gxxx[i] ) * HALF;
+            Gamxxx[i] = Gamxxx[i] - ( ((chix[i] + chix[i]) * inv_chin1) - (dxx[i] + ONE) * gchi_x ) * HALF;
-            Gamyxx[i] = Gamyxx[i] - ( 0.0           - (dxx[i] + ONE) * gxxy[i] ) * HALF;  /* 原式只有 -gxx*gxxy */
+            Gamyxx[i] = Gamyxx[i] - ( 0.0           - (dxx[i] + ONE) * gchi_y ) * HALF;  /* 原式只有 -gxx*gxxy */
-            Gamzxx[i] = Gamzxx[i] - ( 0.0           - (dxx[i] + ONE) * gxxz[i] ) * HALF;
+            Gamzxx[i] = Gamzxx[i] - ( 0.0           - (dxx[i] + ONE) * gchi_z ) * HALF;
 
-            Gamxyy[i] = Gamxyy[i] - ( 0.0           - (dyy[i] + ONE) * gxxx[i] ) * HALF;
+            Gamxyy[i] = Gamxyy[i] - ( 0.0           - (dyy[i] + ONE) * gchi_x ) * HALF;
-            Gamyyy[i] = Gamyyy[i] - ( ((chiy[i] + chiy[i]) / chin1[i]) - (dyy[i] + ONE) * gxxy[i] ) * HALF;
+            Gamyyy[i] = Gamyyy[i] - ( ((chiy[i] + chiy[i]) * inv_chin1) - (dyy[i] + ONE) * gchi_y ) * HALF;
-            Gamzyy[i] = Gamzyy[i] - ( 0.0           - (dyy[i] + ONE) * gxxz[i] ) * HALF;
+            Gamzyy[i] = Gamzyy[i] - ( 0.0           - (dyy[i] + ONE) * gchi_z ) * HALF;
 
-            Gamxzz[i] = Gamxzz[i] - ( 0.0           - (dzz[i] + ONE) * gxxx[i] ) * HALF;
+            Gamxzz[i] = Gamxzz[i] - ( 0.0           - (dzz[i] + ONE) * gchi_x ) * HALF;
-            Gamyzz[i] = Gamyzz[i] - ( 0.0           - (dzz[i] + ONE) * gxxy[i] ) * HALF;
+            Gamyzz[i] = Gamyzz[i] - ( 0.0           - (dzz[i] + ONE) * gchi_y ) * HALF;
-            Gamzzz[i] = Gamzzz[i] - ( ((chiz[i] + chiz[i]) / chin1[i]) - (dzz[i] + ONE) * gxxz[i] ) * HALF;
+            Gamzzz[i] = Gamzzz[i] - ( ((chiz[i] + chiz[i]) * inv_chin1) - (dzz[i] + ONE) * gchi_z ) * HALF;
 
-            Gamxxy[i] = Gamxxy[i] - ( ( chiy[i] / chin1[i])      - gxy[i] * gxxx[i] ) * HALF;
+            Gamxxy[i] = Gamxxy[i] - ( ( chiy[i] * inv_chin1)      - gxy[i] * gchi_x ) * HALF;
-            Gamyxy[i] = Gamyxy[i] - ( ( chix[i] / chin1[i])      - gxy[i] * gxxy[i] ) * HALF;
+            Gamyxy[i] = Gamyxy[i] - ( ( chix[i] * inv_chin1)      - gxy[i] * gchi_y ) * HALF;
-            Gamzxy[i] = Gamzxy[i] - ( 0.0           - gxy[i] * gxxz[i] ) * HALF;
+            Gamzxy[i] = Gamzxy[i] - ( 0.0           - gxy[i] * gchi_z ) * HALF;
 
-            Gamxxz[i] = Gamxxz[i] - ( ( chiz[i] / chin1[i])      - gxz[i] * gxxx[i] ) * HALF;
+            Gamxxz[i] = Gamxxz[i] - ( ( chiz[i] * inv_chin1)      - gxz[i] * gchi_x ) * HALF;
-            Gamyxz[i] = Gamyxz[i] - ( 0.0           - gxz[i] * gxxy[i] ) * HALF;
+            Gamyxz[i] = Gamyxz[i] - ( 0.0           - gxz[i] * gchi_y ) * HALF;
-            Gamzxz[i] = Gamzxz[i] - ( ( chix[i] / chin1[i])      - gxz[i] * gxxz[i] ) * HALF;
+            Gamzxz[i] = Gamzxz[i] - ( ( chix[i] * inv_chin1)      - gxz[i] * gchi_z ) * HALF;
 
-            Gamxyz[i] = Gamxyz[i] - ( 0.0           - gyz[i] * gxxx[i] ) * HALF;
+            Gamxyz[i] = Gamxyz[i] - ( 0.0           - gyz[i] * gchi_x ) * HALF;
-            Gamyyz[i] = Gamyyz[i] - ( ( chiz[i] / chin1[i])      - gyz[i] * gxxy[i] ) * HALF;
+            Gamyyz[i] = Gamyyz[i] - ( ( chiz[i] * inv_chin1)      - gyz[i] * gchi_y ) * HALF;
-            Gamzyz[i] = Gamzyz[i] - ( ( chiy[i] / chin1[i])      - gyz[i] * gxxz[i] ) * HALF;
+            Gamzyz[i] = Gamzyz[i] - ( ( chiy[i] * inv_chin1)      - gyz[i] * gchi_z ) * HALF;
 
             /* fxx..fyz 修正：减去 Γ * ∂Lap */
             fxx[i] = fxx[i] - Gamxxx[i] * Lapx[i] - Gamyxx[i] * Lapy[i] - Gamzxx[i] * Lapz[i];
@@ -762,6 +844,8 @@ int f_compute_rhs_bssn(int *ex, double &T,
             trK_rhs[i] =  gupxx[i] * fxx[i] + gupyy[i] * fyy[i] + gupzz[i] * fzz[i]
                     +  TWO * ( gupxy[i] * fxy[i] + gupxz[i] * fxz[i] + gupyz[i] * fyz[i] );
         }
+        RHS_KERNEL_TIMER_ADD(KB_CHI_LAPSE, timer_chi_lapse);
+        RHS_KERNEL_TIMER_DECL(timer_aij_trk_gauge);
         // 2.5ms //
         for (int i=0;i<all;i+=1) {
             const double divb = betaxx[i] + betayy[i] + betazz[i];
@@ -1022,16 +1106,9 @@ int f_compute_rhs_bssn(int *ex, double &T,
                         + gupyz[i] * dtSfy_rhs[i] * dtSfz_rhs[i] );
 
             #if (GAUGE == 2)
-            {
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - sqrt(chin1[i])), 2.0 );
-                const double chi_sqrt = sqrt(chin1[i]);
-                const double damping = ONE - chi_sqrt;
-                reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / (damping * damping);
-            }
             #else
-            {
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - chin1[i]), 2.0 );
-                const double damping = ONE - chin1[i];
-                reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / (damping * damping);
-            }
             #endif
 
             dtSfx_rhs[i] = Gamx_rhs[i] - reta[i] * dtSfx[i];
@@ -1047,16 +1124,9 @@ int f_compute_rhs_bssn(int *ex, double &T,
                         + gupyz[i] * dtSfy_rhs[i] * dtSfz_rhs[i] );
 
             #if (GAUGE == 4)
-            {
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - sqrt(chin1[i])), 2.0 );
-                const double chi_sqrt = sqrt(chin1[i]);
-                const double damping = ONE - chi_sqrt;
-                reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / (damping * damping);
-            }
             #else
-            {
+            reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / pow( (ONE - chin1[i]), 2.0 );
-                const double damping = ONE - chin1[i];
-                reta[i] = 1.31 / 2.0 * sqrt( reta[i] / chin1[i] ) / (damping * damping);
-            }
             #endif
 
             betax_rhs[i] = FF * Gamx[i] - reta[i] * betax[i];
@@ -1076,6 +1146,8 @@ int f_compute_rhs_bssn(int *ex, double &T,
             dtSfz_rhs[i] = Gamz_rhs[i] - reta[i] * dtSfz[i];
             #endif
         }
+        RHS_KERNEL_TIMER_ADD(KB_AIJ_TRK_GAUGE, timer_aij_trk_gauge);
+        RHS_KERNEL_TIMER_DECL(timer_ko_constraint);
         // advection + KO dissipation with shared symmetry buffer
         lopsided_kodis(ex,X,Y,Z,dxx,gxx_rhs,betax,betay,betaz,Symmetry,SSS,eps);
         lopsided_kodis(ex,X,Y,Z,Gamz,Gamz_rhs,betax,betay,betaz,Symmetry,SSA,eps);
@@ -1207,6 +1279,7 @@ int f_compute_rhs_bssn(int *ex, double &T,
                 movz_Res[i] = movz_Res[i] - F2o3*Kz[i] - F8*PI*Sz[i];
             }
         }
+        RHS_KERNEL_TIMER_ADD(KB_KO_CONSTRAINT, timer_ko_constraint);
 
 
             

AMSS_NCKU_source/cgh.C

@@ -27,10 +27,6 @@ using namespace std;
 #include "cgh.h"
 #include "Parallel.h"
 #include "parameters.h"
-#ifdef USE_GPU
-#include "bssn_gpu.h"
-#include "bssn_cuda_ops.h"
-#endif
 
 //================================================================================================
 
@@ -889,13 +885,6 @@ void cgh::recompose_cgh(int nprocs, bool *lev_flag,
       bool CC = (lev > trfls);
       Parallel::fill_level_data(tmPat, PatL[lev], PatL[lev - 1], OldList, StateList, FutureList, tmList, Symmetry, BB, CC);
 
-#ifdef USE_GPU
-      bssn_gpu_clear_cached_device_buffers();
-      bssn_gpu_release_pinned_host_buffers();
-      bssn_cuda_release_rk4_caches();
-      bssn_cuda_release_interp_caches();
-      patch_release_interp_plan_cache();
-#endif
       Parallel::KillBlocks(PatL[lev]);
       PatL[lev]->destroyList();
       PatL[lev] = tmPat;
@@ -925,13 +914,6 @@ void cgh::recompose_cgh(int nprocs, bool *lev_flag,
       bool CC = (lev > trfls);
       Parallel::fill_level_data(tmPat, PatL[lev], PatL[lev - 1], OldList, StateList, FutureList, tmList, Symmetry, BB, CC);
 
-#ifdef USE_GPU
-      bssn_gpu_clear_cached_device_buffers();
-      bssn_gpu_release_pinned_host_buffers();
-      bssn_cuda_release_rk4_caches();
-      bssn_cuda_release_interp_caches();
-      patch_release_interp_plan_cache();
-#endif
       Parallel::KillBlocks(PatL[lev]);
       PatL[lev]->destroyList();
       PatL[lev] = tmPat;
@@ -1540,13 +1522,6 @@ void cgh::recompose_cgh_Onelevel(int nprocs, int lev,
   bool CC = (lev > trfls);
   Parallel::fill_level_data(tmPat, PatL[lev], PatL[lev - 1], OldList, StateList, FutureList, tmList, Symmetry, BB, CC);
 
-#ifdef USE_GPU
-  bssn_gpu_clear_cached_device_buffers();
-  bssn_gpu_release_pinned_host_buffers();
-  bssn_cuda_release_rk4_caches();
-  bssn_cuda_release_interp_caches();
-  patch_release_interp_plan_cache();
-#endif
   Parallel::KillBlocks(PatL[lev]);
   PatL[lev]->destroyList();
   PatL[lev] = tmPat;
@@ -1570,13 +1545,6 @@ void cgh::recompose_cgh_Onelevel(int nprocs, int lev,
   Parallel::fill_level_data(tmPat, PatL[lev], PatL[lev - 1], OldList, StateList, FutureList, tmList, Symmetry, BB, CC);
   misc::tillherecheck(Commlev[lev], start_rank[lev], "after fill_level_data");
 
-#ifdef USE_GPU
-  bssn_gpu_clear_cached_device_buffers();
-  bssn_gpu_release_pinned_host_buffers();
-  bssn_cuda_release_rk4_caches();
-  bssn_cuda_release_interp_caches();
-  patch_release_interp_plan_cache();
-#endif
   Parallel::KillBlocks(PatL[lev]);
   PatL[lev]->destroyList();
   PatL[lev] = tmPat;

AMSS_NCKU_source/fmisc.f90

@@ -1514,6 +1514,81 @@ f_out = f_out*dX*dY*dZ
   return
 
   end subroutine l2normhelper
+!--------------------------------------------------------------------------------------
+  subroutine l2normhelper7(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&
+                           f1,f2,f3,f4,f5,f6,f7,f_out,gw)
+
+  implicit none
+!~~~~~~> Input parameters:
+  integer,intent(in ):: ex(1:3)
+  real*8, intent(in ):: X(1:ex(1)),Y(1:ex(2)),Z(1:ex(3)),xmin,ymin,zmin,xmax,ymax,zmax
+  integer,intent(in)::gw
+  real*8, dimension(ex(1),ex(2),ex(3)),intent(in) :: f1,f2,f3,f4,f5,f6,f7
+  real*8, intent(out) :: f_out(7)
+!~~~~~~> Other variables:
+
+  real*8            :: dX, dY, dZ
+  integer::imin,jmin,kmin
+  integer::imax,jmax,kmax
+  integer::i,j,k
+  real*8 :: s1,s2,s3,s4,s5,s6,s7
+
+  dX = X(2) - X(1)
+  dY = Y(2) - Y(1)
+  dZ = Z(2) - Z(1)
+
+! for ghost zone
+   imin = gw+1
+   jmin = gw+1
+   kmin = gw+1
+
+   imax = ex(1) - gw
+   jmax = ex(2) - gw
+   kmax = ex(3) - gw
+
+!for patch boundary (i.e., not ghost boundary)
+
+if(dabs(X(ex(1))-xmax) < dX) imax = ex(1)
+if(dabs(Y(ex(2))-ymax) < dY) jmax = ex(2)
+if(dabs(Z(ex(3))-zmax) < dZ) kmax = ex(3)
+if(dabs(X(1)-xmin) < dX) imin = 1
+if(dabs(Y(1)-ymin) < dY) jmin = 1
+if(dabs(Z(1)-zmin) < dZ) kmin = 1
+
+  s1 = 0.d0
+  s2 = 0.d0
+  s3 = 0.d0
+  s4 = 0.d0
+  s5 = 0.d0
+  s6 = 0.d0
+  s7 = 0.d0
+
+  do k=kmin,kmax
+    do j=jmin,jmax
+!DIR$ SIMD REDUCTION(+:s1,s2,s3,s4,s5,s6,s7)
+      do i=imin,imax
+        s1 = s1 + f1(i,j,k)*f1(i,j,k)
+        s2 = s2 + f2(i,j,k)*f2(i,j,k)
+        s3 = s3 + f3(i,j,k)*f3(i,j,k)
+        s4 = s4 + f4(i,j,k)*f4(i,j,k)
+        s5 = s5 + f5(i,j,k)*f5(i,j,k)
+        s6 = s6 + f6(i,j,k)*f6(i,j,k)
+        s7 = s7 + f7(i,j,k)*f7(i,j,k)
+      enddo
+    enddo
+  enddo
+
+  f_out(1) = s1*dX*dY*dZ
+  f_out(2) = s2*dX*dY*dZ
+  f_out(3) = s3*dX*dY*dZ
+  f_out(4) = s4*dX*dY*dZ
+  f_out(5) = s5*dX*dY*dZ
+  f_out(6) = s6*dX*dY*dZ
+  f_out(7) = s7*dX*dY*dZ
+
+  return
+
+  end subroutine l2normhelper7
 !--------------------------------------------------------------------------------------
 ! calculate L2norm especially for shell Blocks
   subroutine l2normhelper_sh(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&

AMSS_NCKU_source/fmisc.h

@@ -13,6 +13,7 @@
 #define f_global_interpind2d global_interpind2d
 #define f_global_interpind1d global_interpind1d
 #define f_l2normhelper l2normhelper
+#define f_l2normhelper7 l2normhelper7
 #define f_l2normhelper_sh l2normhelper_sh
 #define f_l2normhelper_sh_rms l2normhelper_sh_rms
 #define f_average average
@@ -42,6 +43,7 @@
 #define f_global_interpind2d GLOBAL_INTERPIND2D
 #define f_global_interpind1d GLOBAL_INTERPIND1D
 #define f_l2normhelper L2NORMHELPER
+#define f_l2normhelper7 L2NORMHELPER7
 #define f_l2normhelper_sh L2NORMHELPER_SH
 #define f_l2normhelper_sh_rms L2NORMHELPER_SH_RMS
 #define f_average AVERAGE
@@ -71,6 +73,7 @@
 #define f_global_interpind2d global_interpind2d_
 #define f_global_interpind1d global_interpind1d_
 #define f_l2normhelper l2normhelper_
+#define f_l2normhelper7 l2normhelper7_
 #define f_l2normhelper_sh l2normhelper_sh_
 #define f_l2normhelper_sh_rms l2normhelper_sh_rms_
 #define f_average average_
@@ -164,6 +167,15 @@ extern "C"
 						double *, double &, int &);
 }
 
+extern "C"
+{
+	void f_l2normhelper7(int *, double *, double *, double *,
+						 double &, double &, double &,
+						 double &, double &, double &,
+						 double *, double *, double *, double *,
+						 double *, double *, double *, double *, int &);
+}
+
 extern "C"
 {
 	void f_l2normhelper_sh(int *, double *, double *, double *,

AMSS_NCKU_source/gaussj.C

@@ -17,65 +17,103 @@ using namespace std;
 #include <math.h>
 #endif
 
-// Intel oneMKL LAPACK interface
+/* Linear equation solution by Gauss-Jordan elimination.
-#include <mkl_lapacke.h>
-/* Linear equation solution using Intel oneMKL LAPACK.
 a[0..n-1][0..n-1] is the input matrix. b[0..n-1] is input
 containing the right-hand side vectors. On output a is
 replaced by its matrix inverse, and b is replaced by the
-corresponding set of solution vectors.
+corresponding set of solution vectors. */
-
-Mathematical equivalence:
-  Solves: A * x = b  =>  x = A^(-1) * b
-  Original Gauss-Jordan and LAPACK dgesv/dgetri produce identical results
-  within numerical precision. */
 
 int gaussj(double *a, double *b, int n)
 {
-  // Allocate pivot array and workspace
+  double swap;
-  lapack_int *ipiv = new lapack_int[n];
-  lapack_int info;
 
-  // Make a copy of matrix a for solving (dgesv modifies it to LU form)
+  int *indxc, *indxr, *ipiv;
-  double *a_copy = new double[n * n];
+  indxc = new int[n];
-  for (int i = 0; i < n * n; i++) {
+  indxr = new int[n];
-    a_copy[i] = a[i];
+  ipiv = new int[n];
+
+  int i, icol, irow, j, k, l, ll;
+  double big, dum, pivinv;
+
+  for (j = 0; j < n; j++)
+    ipiv[j] = 0;
+  for (i = 0; i < n; i++)
+  {
+    big = 0.0;
+    for (j = 0; j < n; j++)
+      if (ipiv[j] != 1)
+        for (k = 0; k < n; k++)
+        {
+          if (ipiv[k] == 0)
+          {
+            if (fabs(a[j * n + k]) >= big)
+            {
+              big = fabs(a[j * n + k]);
+              irow = j;
+              icol = k;
+            }
+          }
+          else if (ipiv[k] > 1)
+          {
+            cout << "gaussj: Singular Matrix-1" << endl;
+            return 1;
+          }
+        }
+
+    ipiv[icol] = ipiv[icol] + 1;
+    if (irow != icol)
+    {
+      for (l = 0; l < n; l++)
+      {
+        swap = a[irow * n + l];
+        a[irow * n + l] = a[icol * n + l];
+        a[icol * n + l] = swap;
+      }
+
+      swap = b[irow];
+      b[irow] = b[icol];
+      b[icol] = swap;
+    }
+
+    indxr[i] = irow;
+    indxc[i] = icol;
+
+    if (a[icol * n + icol] == 0.0)
+    {
+      cout << "gaussj: Singular Matrix-2" << endl;
+      return 1;
+    }
+
+    pivinv = 1.0 / a[icol * n + icol];
+    a[icol * n + icol] = 1.0;
+    for (l = 0; l < n; l++)
+      a[icol * n + l] *= pivinv;
+    b[icol] *= pivinv;
+    for (ll = 0; ll < n; ll++)
+      if (ll != icol)
+      {
+        dum = a[ll * n + icol];
+        a[ll * n + icol] = 0.0;
+        for (l = 0; l < n; l++)
+          a[ll * n + l] -= a[icol * n + l] * dum;
+        b[ll] -= b[icol] * dum;
+      }
   }
 
-  // Step 1: Solve linear system A*x = b using LU decomposition
+  for (l = n - 1; l >= 0; l--)
-  // LAPACKE_dgesv uses column-major by default, but we use row-major
+  {
-  info = LAPACKE_dgesv(LAPACK_ROW_MAJOR, n, 1, a_copy, n, ipiv, b, 1);
+    if (indxr[l] != indxc[l])
-
+      for (k = 0; k < n; k++)
-  if (info != 0) {
+      {
-    cout << "gaussj: Singular Matrix (dgesv info=" << info << ")" << endl;
+        swap = a[k * n + indxr[l]];
-    delete[] ipiv;
+        a[k * n + indxr[l]] = a[k * n + indxc[l]];
-    delete[] a_copy;
+        a[k * n + indxc[l]] = swap;
-    return 1;
+      }
-  }
-
-  // Step 2: Compute matrix inverse A^(-1) using LU factorization
-  // First do LU factorization of original matrix a
-  info = LAPACKE_dgetrf(LAPACK_ROW_MAJOR, n, n, a, n, ipiv);
-
-  if (info != 0) {
-    cout << "gaussj: Singular Matrix (dgetrf info=" << info << ")" << endl;
-    delete[] ipiv;
-    delete[] a_copy;
-    return 1;
-  }
-
-  // Then compute inverse from LU factorization
-  info = LAPACKE_dgetri(LAPACK_ROW_MAJOR, n, a, n, ipiv);
-
-  if (info != 0) {
-    cout << "gaussj: Singular Matrix (dgetri info=" << info << ")" << endl;
-    delete[] ipiv;
-    delete[] a_copy;
-    return 1;
   }
 
+  delete[] indxc;
+  delete[] indxr;
   delete[] ipiv;
-  delete[] a_copy;
 
   return 0;
 }

AMSS_NCKU_source/macrodef.h

@@ -29,6 +29,16 @@
 
 #define REGLEV 0
 
+#define BSSN_FINE_TIMING 0
+
+#define BSSN_FINE_TIMING_EVERY 1
+
+#define BSSN_FINE_TIMING_TOPN 8
+
+#define BSSN_KERNEL_FINE_TIMING 0
+
+#define BSSN_ENABLE_STDIN_ABORT_POLL 0
+
 //#define USE_GPU
 
 //#define CHECKDETAIL
@@ -88,6 +98,21 @@
 //     0: for every level;
 //     1: for all
 //
+// define BSSN_FINE_TIMING
+//     enable fine-grained per-timestep timing monitor
+//
+// define BSSN_FINE_TIMING_EVERY
+//     report timing every N coarse timesteps
+//
+// define BSSN_FINE_TIMING_TOPN
+//     number of hottest timing buckets shown in stdout
+//
+// define BSSN_KERNEL_FINE_TIMING
+//     enable split timing inside compute_rhs_bssn
+//
+// define BSSN_ENABLE_STDIN_ABORT_POLL
+//     poll stdin and broadcast abort flag every coarse step
+//
 // define USE_GPU
 //     use gpu or not
 //
@@ -142,4 +167,3 @@
 #define TINY 1e-10
 
 #endif   /* MICRODEF_H */
-

AMSS_NCKU_source/makefile

@@ -8,27 +8,16 @@ include makefile.inc
 POLINT6_USE_BARY ?= 1
 POLINT6_FLAG = -DPOLINT6_USE_BARYCENTRIC=$(POLINT6_USE_BARY)
 
-## ABE build flags selected by PGO_MODE (set in makefile.inc, default: opt)
+## Legacy GNU/OpenMPI flags
-##   make                        -> opt  (PGO-guided, maximum performance)
+CXXBASEFLAGS = -O3 -march=native -Wno-deprecated -Dfortran3 -Dnewc $(INTERP_LB_FLAGS)
-##   make PGO_MODE=instrument    -> instrument (Phase 1: collect fresh profile data)
+F90BASEFLAGS = -O3 -march=native -cpp -fallow-argument-mismatch $(POLINT6_FLAG)
-PROFDATA = /home/$(shell whoami)/AMSS-NCKU/pgo_profile/default.profdata
 
 ifeq ($(PGO_MODE),instrument)
-## Phase 1: instrumentation — omit -ipo/-fp-model fast=2 for faster build and numerical stability
+CXXAPPFLAGS = $(CXXBASEFLAGS)
-CXXAPPFLAGS = -O3 -xHost -fma -fprofile-instr-generate -ipo \
+f90appflags = $(F90BASEFLAGS)
-              -Dfortran3 -Dnewc -I${MKLROOT}/include $(INTERP_LB_FLAGS)
-f90appflags = -O3 -xHost -fma -fprofile-instr-generate -ipo \
-              -align array64byte -fpp -I${MKLROOT}/include $(POLINT6_FLAG)
 else
-## opt (default): maximum performance with PGO profile data -fprofile-instr-use=$(PROFDATA) \
+CXXAPPFLAGS = $(CXXBASEFLAGS)
-## PGO has been turned off, now tested and found to be negative optimization
+f90appflags = $(F90BASEFLAGS)
-## INTERP_LB_FLAGS has been turned off too, now tested and found to be negative optimization
-
-
-CXXAPPFLAGS = -O3 -xHost -fp-model fast=2 -fma -ipo \
-              -Dfortran3 -Dnewc -I${MKLROOT}/include $(INTERP_LB_FLAGS)
-f90appflags = -O3 -xHost -fp-model fast=2 -fma -ipo \
-              -align array64byte -fpp -I${MKLROOT}/include $(POLINT6_FLAG)
 endif
 
 .SUFFIXES: .o .f90 .C .for .cu
@@ -68,16 +57,13 @@ lopsided_kodis_c.o: lopsided_kodis_c.C
 #	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
 
 ## TwoPunctureABE uses fixed optimal flags with its own PGO profile, independent of CXXAPPFLAGS
-TP_PROFDATA = /home/$(shell whoami)/AMSS-NCKU/pgo_profile/TwoPunctureABE.profdata
+TP_OPTFLAGS = $(CXXBASEFLAGS) $(TP_OPENMP_FLAGS)
-TP_OPTFLAGS = -O3 -xHost -fp-model fast=2 -fma -ipo \
-              -fprofile-instr-use=$(TP_PROFDATA) \
-              -Dfortran3 -Dnewc -I${MKLROOT}/include
 
 TwoPunctures.o: TwoPunctures.C
-	${CXX} $(TP_OPTFLAGS) -qopenmp -c $< -o $@
+	${CXX} $(TP_OPTFLAGS) -c $< -o $@
 
 TwoPunctureABE.o: TwoPunctureABE.C
-	${CXX} $(TP_OPTFLAGS) -qopenmp -c $< -o $@
+	${CXX} $(TP_OPTFLAGS) -c $< -o $@
 
 # Input files
 
@@ -106,11 +92,12 @@ C++FILES = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
 	   NullShellPatch2_Evo.o writefile_f.o interp_lb_profile.o
 	   
 C++FILES_GPU = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
-           cgh.o bssn_class.o surface_integral.o ShellPatch.o\
+           cgh.o surface_integral.o ShellPatch.o\
 	   bssnEScalar_class.o perf.o Z4c_class.o NullShellPatch.o\
 	   bssnEM_class.o cpbc_util.o z4c_rhs_point.o checkpoint.o\
            Parallel_bam.o scalar_class.o transpbh.o NullShellPatch2.o\
-	   NullShellPatch2_Evo.o bssn_cuda_step.o writefile_f.o
+	   NullShellPatch2_Evo.o \
+	   bssn_gpu_class.o bssn_step_gpu.o bssn_macro.o writefile_f.o
 
 F90FILES_BASE = enforce_algebra.o fmisc.o initial_puncture.o prolongrestrict.o\
 	   prolongrestrict_cell.o prolongrestrict_vertex.o\
@@ -142,7 +129,7 @@ initial_guess.o Newton.o Jacobian.o ilucg.o IntPnts0.o IntPnts.o
 
 TwoPunctureFILES = TwoPunctureABE.o TwoPunctures.o 
 
-CUDAFILES = bssn_gpu.o bssn_cuda_ops.o
+CUDAFILES = bssn_gpu.o bssn_gpu_rhs_ss.o
 
 # file dependences
 $(C++FILES) $(C++FILES_GPU) $(F90FILES) $(CFILES) $(AHFDOBJS) $(CUDAFILES): macrodef.fh
@@ -184,7 +171,7 @@ ABEGPU: $(C++FILES_GPU) $(CFILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILE
 	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES_GPU) $(CFILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES) $(LDLIBS)
 
 TwoPunctureABE: $(TwoPunctureFILES)
-	$(CLINKER) $(TP_OPTFLAGS) -qopenmp -o $@ $(TwoPunctureFILES) $(LDLIBS)
+	$(CLINKER) $(TP_OPTFLAGS) -o $@ $(TwoPunctureFILES) $(LDLIBS)
 
 clean:
 	rm *.o ABE ABEGPU TwoPunctureABE make.log -f

AMSS_NCKU_source/makefile.inc

@@ -1,36 +1,27 @@
-## GCC version (commented out)
+## Legacy GNU/OpenMPI toolchain configuration
-## 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/
-## 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)
+## OpenMPI wrappers are installed but may not be on PATH.
-filein  = -I/usr/include/ -I${MKLROOT}/include
+OMPI_BIN ?= /usr/lib64/openmpi/bin
 
-## Using sequential MKL (OpenMP disabled for better single-threaded performance)
+## Wrapper compilers
-## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
+f90          = $(OMPI_BIN)/mpifort
-LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl -liomp5
+f77          = $(OMPI_BIN)/mpifort
-CUDA_LDLIBS = -L/usr/local/cuda-12.9/targets/x86_64-linux/lib -lcudart
+CXX          = $(OMPI_BIN)/mpicxx
+CC           = $(OMPI_BIN)/mpicc
+CLINKER      = $(OMPI_BIN)/mpicxx
 
-## Memory allocator switch
+## Extra include flags are not needed when using the OpenMPI wrappers.
-##   1 (default) : link Intel oneTBB allocator (libtbbmalloc)
+filein       =
-##   0           : use system default allocator (ptmalloc)
-USE_TBBMALLOC ?= 1
-TBBMALLOC_SO ?= /home/intel/oneapi/2025.3/lib/libtbbmalloc.so
-ifneq ($(wildcard $(TBBMALLOC_SO)),)
-TBBMALLOC_LIBS = -Wl,--no-as-needed $(TBBMALLOC_SO) -Wl,--as-needed
-else
-TBBMALLOC_LIBS = -Wl,--no-as-needed -ltbbmalloc -Wl,--as-needed
-endif
-ifeq ($(USE_TBBMALLOC),1)
-LDLIBS := $(TBBMALLOC_LIBS) $(LDLIBS)
-endif
 
-LDLIBS := $(CUDA_LDLIBS) $(LDLIBS)
+## BLAS/LAPACK backend:
+## OpenBLAS on this system provides BLAS, CBLAS and LAPACK symbols.
+BLAS_LAPACK_LIB ?= /lib64/libopenblaso.so.0
+LDLIBS  = $(BLAS_LAPACK_LIB) -lgfortran -lpthread -lm -ldl
 
-## PGO build mode switch (ABE only; TwoPunctureABE always uses opt flags)
+## PGO build mode switch
-##   opt        : (default) maximum performance with PGO profile-guided optimization
+##   off        : default legacy GNU build without PGO
-##   instrument : PGO Phase 1 instrumentation to collect fresh profile data
+##   instrument : accepted for compatibility, currently same as off
-PGO_MODE ?= opt
+PGO_MODE ?= off
 
 ## Interp_Points load balance profiling mode
 ##   off        : (default) no load balance instrumentation
@@ -52,17 +43,13 @@ endif
 USE_CXX_KERNELS ?= 1
 
 ## RK4 kernel implementation switch
-##   1 (default) : use C/C++ rewrite of rungekutta4_rout (for optimization experiments)
+##   1 (default) : use C/C++ rewrite of rungekutta4_rout
 ##   0           : use original Fortran rungekutta4_rout.o
 USE_CXX_RK4 ?= 1
 
-f90          = ifx
+## OpenMP is only used for TwoPunctures on the legacy toolchain.
-f77          = ifx
+TP_OPENMP_FLAGS ?= -fopenmp
-CXX          = icpx
-CC           = icx
-CLINKER      = mpiicpx
 
 Cu = nvcc
 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/surface_integral.h

@@ -23,21 +23,11 @@ using namespace std;
 #include "NullShellPatch2.h"
 #include "var.h"
 #include "monitor.h"
-#include <map>
 
 class surface_integral
 {
 
 private:
-	struct SpherePointCache
-	{
-		double *pox[3];
-		SpherePointCache()
-		{
-			pox[0] = pox[1] = pox[2] = 0;
-		}
-	};
-
 	int Symmetry, factor;
 	int N_theta, N_phi; // Number of points in Theta & Phi directions
 	double dphi, dcostheta;
@@ -46,12 +36,11 @@ private:
 
 	double *nx_g, *ny_g, *nz_g; // global list of unit normals
 	int myrank, cpusize;
-	map<double, SpherePointCache> sphere_point_cache;
+	int wave_cache_spinw, wave_cache_maxl, wave_cache_modes;
-	map<int, double *> shellf_cache;
+	double *wave_theta_pos, *wave_theta_neg;
-
+	double *wave_phi_cos, *wave_phi_sin;
-	void get_surface_points(double rex, double **pox);
+	void clear_wave_cache();
-	double *get_shellf_buffer(int num_var);
+	void build_wave_cache(int spinw, int maxl);
-	void release_cached_buffers();
 
 public:
 	surface_integral(int iSymmetry);
@@ -98,13 +87,29 @@ public:
 					   var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
 					   var *Gmx, var *Gmy, var *Gmz,
 					   var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
-					   double *Rout, monitor *Monitor);
+					   double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
 	void surf_MassPAng(double rex, int lev, ShellPatch *GH, var *chi, var *trK,
 					   var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
 					   var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
 					   var *Gmx, var *Gmy, var *Gmz,
 					   var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
-					   double *Rout, monitor *Monitor);
+					   double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
+	void surf_WaveMassPAng(double rex, int lev, cgh *GH,
+					   var *Rpsi4, var *Ipsi4, int spinw, int maxl, int NN, double *RP, double *IP,
+					   var *chi, var *trK,
+					   var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
+					   var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
+					   var *Gmx, var *Gmy, var *Gmz,
+					   var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
+					   double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
+	void surf_WaveMassPAng(double rex, int lev, ShellPatch *GH,
+					   var *Rpsi4, var *Ipsi4, int spinw, int maxl, int NN, double *RP, double *IP,
+					   var *chi, var *trK,
+					   var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
+					   var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
+					   var *Gmx, var *Gmy, var *Gmz,
+					   var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs,
+					   double *Rout, monitor *Monitor, bool refresh_mass_fields = true);
 	void surf_Wave(double rex, cgh *GH, ShellPatch *SH,
 				   var *chi, var *trK,
 				   var *gxx, var *gxy, var *gxz, var *gyy, var *gyz, var *gzz,
@@ -131,7 +136,7 @@ public:
 					   var *Axx, var *Axy, var *Axz, var *Ayy, var *Ayz, var *Azz,
 					   var *Gmx, var *Gmy, var *Gmz,
 					   var *Sfx_rhs, var *Sfy_rhs, var *Sfz_rhs, // temparay memory for mass^i
-					   double *Rout, monitor *Monitor, MPI_Comm Comm_here);
+					   double *Rout, monitor *Monitor, MPI_Comm Comm_here, bool refresh_mass_fields = true);
 	void surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *Ipsi4,
 				   int spinw, int maxl, int NN, double *RP, double *IP,
 				   monitor *Monitor, MPI_Comm Comm_here);

README.md

@@ -97,7 +97,9 @@ Here, we take the Ubuntu 22.04 system as an example
 
     Modify the makefile.inc file in the AMSS_NCKU_source directory and change the settings according to your computer.
 
-    The settings for the Ubuntu 22.04 system do not need to be modified.
+    The default configuration in this branch uses GNU compilers through the OpenMPI wrappers under `/usr/lib64/openmpi/bin`.
+
+    If your OpenMPI installation is in another location, update `OMPI_BIN` in `AMSS_NCKU_source/makefile.inc` or export `AMSS_OPENMPI_BIN` before running the Python launcher.
 
 1.  Enter the AMSS-NCKU Python code folder and modify the input.
 

generate_macrodef.py

@@ -144,6 +144,62 @@ def generate_macrodef_h():
     print( "#define REGLEV 0",      file=file1 )
     print(                          file=file1 )
 
+    # Define fine-grained timing/debug macros.
+    # All of them default to OFF so production builds do not pay profiling overhead.
+
+    fine_timing = getattr(input_data, "Fine_Timing",
+                  getattr(input_data, "Finegrained_Timing", "no"))
+    kernel_fine_timing = getattr(input_data, "Kernel_Fine_Timing",
+                          getattr(input_data, "BSSN_Kernel_Fine_Timing", "no"))
+    stdin_abort_poll = getattr(input_data, "Enable_Stdin_Abort_Poll",
+                       getattr(input_data, "Stdin_Abort_Poll", "no"))
+    timing_report_every = max(1, int(getattr(
+        input_data, "Timing_Every_Steps",
+        getattr(input_data, "Timing_Report_Every", 1))))
+    timing_top_hotspots = max(1, int(getattr(
+        input_data, "Timing_Top_Hotspots", 8)))
+
+    if ( fine_timing == "yes" ):
+        print( "#define BSSN_FINE_TIMING 1", file=file1 )
+        print(                               file=file1 )
+    elif ( fine_timing == "no" ):
+        print( "#define BSSN_FINE_TIMING 0", file=file1 )
+        print(                               file=file1 )
+    else:
+        print( "Fine_Timing setting error!!!" )
+        print()
+        print( "# Fine_Timing setting error!!!", file=file1 )
+        print(                                   file=file1 )
+
+    print( f"#define BSSN_FINE_TIMING_EVERY {timing_report_every}", file=file1 )
+    print(                                                          file=file1 )
+    print( f"#define BSSN_FINE_TIMING_TOPN {timing_top_hotspots}",  file=file1 )
+    print(                                                          file=file1 )
+
+    if ( kernel_fine_timing == "yes" ):
+        print( "#define BSSN_KERNEL_FINE_TIMING 1", file=file1 )
+        print(                                      file=file1 )
+    elif ( kernel_fine_timing == "no" ):
+        print( "#define BSSN_KERNEL_FINE_TIMING 0", file=file1 )
+        print(                                      file=file1 )
+    else:
+        print( "Kernel_Fine_Timing setting error!!!" )
+        print()
+        print( "# Kernel_Fine_Timing setting error!!!", file=file1 )
+        print(                                          file=file1 )
+
+    if ( stdin_abort_poll == "yes" ):
+        print( "#define BSSN_ENABLE_STDIN_ABORT_POLL 1", file=file1 )
+        print(                                           file=file1 )
+    elif ( stdin_abort_poll == "no" ):
+        print( "#define BSSN_ENABLE_STDIN_ABORT_POLL 0", file=file1 )
+        print(                                           file=file1 )
+    else:
+        print( "Enable_Stdin_Abort_Poll setting error!!!" )
+        print()
+        print( "# Enable_Stdin_Abort_Poll setting error!!!", file=file1 )
+        print(                                               file=file1 )
+
     # Define macro USE_GPU
     # use GPU or not
     
@@ -224,6 +280,21 @@ def generate_macrodef_h():
     print( "//     0: for every level;",                                                 file=file1 ) 
     print( "//     1: for all",                                                          file=file1 )
     print( "//",                                                                         file=file1 )
+    print( "// define BSSN_FINE_TIMING",                                                 file=file1 )
+    print( "//     enable fine-grained per-timestep timing monitor",                     file=file1 )
+    print( "//",                                                                         file=file1 )
+    print( "// define BSSN_FINE_TIMING_EVERY",                                           file=file1 )
+    print( "//     report timing every N coarse timesteps",                              file=file1 )
+    print( "//",                                                                         file=file1 )
+    print( "// define BSSN_FINE_TIMING_TOPN",                                            file=file1 )
+    print( "//     number of hottest timing buckets shown in stdout",                    file=file1 )
+    print( "//",                                                                         file=file1 )
+    print( "// define BSSN_KERNEL_FINE_TIMING",                                          file=file1 )
+    print( "//     enable split timing inside compute_rhs_bssn",                         file=file1 )
+    print( "//",                                                                         file=file1 )
+    print( "// define BSSN_ENABLE_STDIN_ABORT_POLL",                                     file=file1 )
+    print( "//     poll stdin and broadcast abort flag every coarse step",               file=file1 )
+    print( "//",                                                                         file=file1 )
     print( "// define USE_GPU",                                                          file=file1 )
     print( "//     use gpu or not",                                                      file=file1 )
     print( "//",                                                                         file=file1 )

makefile_and_run.py

@@ -53,53 +53,13 @@ NUMACTL_CPU_BIND = get_last_n_cores_per_socket(n=32)
 
 ## Build parallelism: match the number of bound cores
 BUILD_JOBS = 64
+OPENMPI_BIN = os.environ.get("AMSS_OPENMPI_BIN", "/usr/lib64/openmpi/bin")
+MPI_RUNNER = os.path.join(OPENMPI_BIN, "mpirun")
 
 
 ##################################################################
 
 
-##################################################################
-
-def prepare_gpu_runtime_env():
-    """
-    Create a user-private CUDA MPS environment for GPU runs.
-
-    On shared machines another user's daemon may already occupy the default
-    /tmp/nvidia-mps pipe directory, which makes plain cudaSetDevice/cudaMalloc
-    fail with cudaErrorMpsConnectionFailed.  Binding AMSS-NCKU to a private
-    pipe directory avoids cross-user interference.
-    """
-    env = os.environ.copy()
-
-    pipe_dir = env.get("CUDA_MPS_PIPE_DIRECTORY", f"/tmp/amss-ncku-mps-{os.getuid()}")
-    log_dir  = env.get("CUDA_MPS_LOG_DIRECTORY",  f"/tmp/amss-ncku-mps-log-{os.getuid()}")
-
-    os.makedirs(pipe_dir, exist_ok=True)
-    os.makedirs(log_dir, exist_ok=True)
-
-    env["CUDA_MPS_PIPE_DIRECTORY"] = pipe_dir
-    env["CUDA_MPS_LOG_DIRECTORY"] = log_dir
-
-    control_socket = os.path.join(pipe_dir, "control")
-    if not os.path.exists(control_socket):
-        start = subprocess.run(
-            ["nvidia-cuda-mps-control", "-d"],
-            env=env,
-            stdout=subprocess.DEVNULL,
-            stderr=subprocess.DEVNULL,
-        )
-        if start.returncode != 0:
-            print(f" Warning: failed to start private CUDA MPS daemon in {pipe_dir}")
-        else:
-            print(f" Using private CUDA MPS pipe directory: {pipe_dir}")
-    else:
-        print(f" Using existing private CUDA MPS pipe directory: {pipe_dir}")
-
-    return env
-
-##################################################################
-
-
 
 ##################################################################
 
@@ -189,29 +149,16 @@ def run_ABE():
 
     ## Define the command to run; cast other values to strings as needed
     
-    run_env = None
-
     if (input_data.GPU_Calculation == "no"):
-        mpi_command         = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
+        mpi_command         = NUMACTL_CPU_BIND + " " + MPI_RUNNER + " -np " + str(input_data.MPI_processes) + " ./ABE"
         #mpi_command         = " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
         mpi_command_outfile = "ABE_out.log"
     elif (input_data.GPU_Calculation == "yes"):
-        run_env = prepare_gpu_runtime_env()
+        mpi_command         = NUMACTL_CPU_BIND + " " + MPI_RUNNER + " -np " + str(input_data.MPI_processes) + " ./ABEGPU"
-        if int(input_data.MPI_processes) == 1:
-            mpi_command = "./ABEGPU"
-        else:
-            mpi_command = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
         mpi_command_outfile = "ABEGPU_out.log"
  
     ## Execute the MPI command and stream output
-    mpi_process = subprocess.Popen(
+    mpi_process = subprocess.Popen(mpi_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
-        mpi_command,
-        shell=True,
-        stdout=subprocess.PIPE,
-        stderr=subprocess.STDOUT,
-        text=True,
-        env=run_env,
-    )
 
     ## Write ABE run output to file while printing to stdout
     with open(mpi_command_outfile, 'w') as file0: