feat: port GPU code to CUDA 13 and enable GPU computation

Major changes:
   - Update makefile.inc for CUDA 13.1 with sm_89 architecture (RTX 4050)
   - Replace deprecated cudaThreadSynchronize() with cudaDeviceSynchronize()
   - Add CUDA_SAFE_CALL macro for CUDA 13 compatibility
   - Fix duplicate function definitions (compare_result_gpu, SHStep)
   - Fix syntax error in bssn_step_gpu.C
   - Enable GPU calculation in AMSS_NCKU_Input.py
   - Successfully build ABEGPU executable

.gitignore

@@ -1,6 +1,3 @@
 __pycache__
 GW150914
-GW150914-origin
-docs
-*.tmp
 

AMSS_NCKU_Input.py

@@ -16,12 +16,12 @@ import numpy
 File_directory   = "GW150914"                    ## output file directory
 Output_directory = "binary_output"               ## binary data file directory
                                                  ## The file directory name should not be too long
-MPI_processes    = 1                              ## number of processes (MPI removed, single-process mode)
+MPI_processes    = 96                             ## number of mpi processes used in the simulation
 
-GPU_Calculation  = "no"                          ## Use GPU or not 
+GPU_Calculation  = "yes"                         ## Use GPU or not
-                                                 ## (prefer "no" in the current version, because the GPU part may have bugs when integrated in this Python interface)
+                                                 ## GPU support has been updated for CUDA 13
-CPU_Part         = 1.0
+CPU_Part         = 0.0
-GPU_Part         = 0.0
+GPU_Part         = 1.0
 
 #################################################
 

AMSS_NCKU_Verify_ASC26.py

@@ -1,279 +0,0 @@
-#!/usr/bin/env python3
-"""
-AMSS-NCKU GW150914 Simulation Regression Test Script
-
-Verification Requirements:
-1. XY-plane trajectory RMS error < 1% (Optimized vs. baseline, max of BH1 and BH2)
-2. ADM constraint violation < 2 (Grid Level 0)
-
-RMS Calculation Method:
-- Computes trajectory deviation on the XY plane independently for BH1 and BH2
-- For each black hole: RMS = sqrt((1/M) * sum((Δr_i / r_i^max)^2)) × 100%
-- Final RMS = max(RMS_BH1, RMS_BH2)
-
-Usage: python3 AMSS_NCKU_Verify_ASC26.py [output_dir]
-Default: output_dir = GW150914/AMSS_NCKU_output
-Reference: GW150914-origin (baseline simulation)
-"""
-
-import numpy as np
-import sys
-import os
-
-# ANSI Color Codes
-class Color:
-    GREEN = '\033[92m'
-    RED = '\033[91m'
-    YELLOW = '\033[93m'
-    BLUE = '\033[94m'
-    BOLD = '\033[1m'
-    RESET = '\033[0m'
-
-def get_status_text(passed):
-    if passed:
-        return f"{Color.GREEN}{Color.BOLD}PASS{Color.RESET}"
-    else:
-        return f"{Color.RED}{Color.BOLD}FAIL{Color.RESET}"
-
-def load_bh_trajectory(filepath):
-    """Load black hole trajectory data"""
-    data = np.loadtxt(filepath)
-    return {
-        'time': data[:, 0],
-        'x1': data[:, 1], 'y1': data[:, 2], 'z1': data[:, 3],
-        'x2': data[:, 4], 'y2': data[:, 5], 'z2': data[:, 6]
-    }
-
-
-def load_constraint_data(filepath):
-    """Load constraint violation data"""
-    data = []
-    with open(filepath, 'r') as f:
-        for line in f:
-            if line.startswith('#'):
-                continue
-            parts = line.split()
-            if len(parts) >= 8:
-                data.append([float(x) for x in parts[:8]])
-    return np.array(data)
-
-
-def calculate_rms_error(bh_data_ref, bh_data_target):
-    """
-    Calculate trajectory-based RMS error on the XY plane between baseline and optimized simulations.
-
-    This function computes the RMS error independently for BH1 and BH2 trajectories,
-    then returns the maximum of the two as the final RMS error metric.
-
-    For each black hole, the RMS is calculated as:
-        RMS = sqrt( (1/M) * sum( (Δr_i / r_i^max)^2 ) ) × 100%
-
-    where:
-        Δr_i = sqrt((x_ref,i - x_new,i)^2 + (y_ref,i - y_new,i)^2)
-        r_i^max = max(sqrt(x_ref,i^2 + y_ref,i^2), sqrt(x_new,i^2 + y_new,i^2))
-
-    Args:
-        bh_data_ref: Reference (baseline) trajectory data
-        bh_data_target: Target (optimized) trajectory data
-
-    Returns:
-        rms_value: Final RMS error as a percentage (max of BH1 and BH2)
-        error: Error message if any
-    """
-    # Align data: truncate to the length of the shorter dataset
-    M = min(len(bh_data_ref['time']), len(bh_data_target['time']))
-
-    if M < 10:
-        return None, "Insufficient data points for comparison"
-
-    # Extract XY coordinates for both black holes
-    x1_ref = bh_data_ref['x1'][:M]
-    y1_ref = bh_data_ref['y1'][:M]
-    x2_ref = bh_data_ref['x2'][:M]
-    y2_ref = bh_data_ref['y2'][:M]
-
-    x1_new = bh_data_target['x1'][:M]
-    y1_new = bh_data_target['y1'][:M]
-    x2_new = bh_data_target['x2'][:M]
-    y2_new = bh_data_target['y2'][:M]
-
-    # Calculate RMS for BH1
-    delta_r1 = np.sqrt((x1_ref - x1_new)**2 + (y1_ref - y1_new)**2)
-    r1_ref = np.sqrt(x1_ref**2 + y1_ref**2)
-    r1_new = np.sqrt(x1_new**2 + y1_new**2)
-    r1_max = np.maximum(r1_ref, r1_new)
-
-    # Calculate RMS for BH2
-    delta_r2 = np.sqrt((x2_ref - x2_new)**2 + (y2_ref - y2_new)**2)
-    r2_ref = np.sqrt(x2_ref**2 + y2_ref**2)
-    r2_new = np.sqrt(x2_new**2 + y2_new**2)
-    r2_max = np.maximum(r2_ref, r2_new)
-
-    # Avoid division by zero for BH1
-    valid_mask1 = r1_max > 1e-15
-    if np.sum(valid_mask1) < 10:
-        return None, "Insufficient valid data points for BH1"
-
-    terms1 = (delta_r1[valid_mask1] / r1_max[valid_mask1])**2
-    rms_bh1 = np.sqrt(np.mean(terms1)) * 100
-
-    # Avoid division by zero for BH2
-    valid_mask2 = r2_max > 1e-15
-    if np.sum(valid_mask2) < 10:
-        return None, "Insufficient valid data points for BH2"
-
-    terms2 = (delta_r2[valid_mask2] / r2_max[valid_mask2])**2
-    rms_bh2 = np.sqrt(np.mean(terms2)) * 100
-
-    # Final RMS is the maximum of BH1 and BH2
-    rms_final = max(rms_bh1, rms_bh2)
-
-    return rms_final, None
-
-
-def analyze_constraint_violation(constraint_data, n_levels=9):
-    """
-    Analyze ADM constraint violation
-    Return maximum constraint violation for Grid Level 0
-    """
-    # Extract Grid Level 0 data (first entry for each time step)
-    level0_data = constraint_data[::n_levels]
-
-    # Calculate maximum absolute value for each constraint
-    results = {
-        'Ham': np.max(np.abs(level0_data[:, 1])),
-        'Px': np.max(np.abs(level0_data[:, 2])),
-        'Py': np.max(np.abs(level0_data[:, 3])),
-        'Pz': np.max(np.abs(level0_data[:, 4])),
-        'Gx': np.max(np.abs(level0_data[:, 5])),
-        'Gy': np.max(np.abs(level0_data[:, 6])),
-        'Gz': np.max(np.abs(level0_data[:, 7]))
-    }
-
-    results['max_violation'] = max(results.values())
-    return results
-
-
-def print_header():
-    """Print report header"""
-    print("\n" + Color.BLUE + Color.BOLD + "=" * 65 + Color.RESET)
-    print(Color.BOLD + "   AMSS-NCKU GW150914 Simulation Regression Test Report" + Color.RESET)
-    print(Color.BLUE + Color.BOLD + "=" * 65 + Color.RESET)
-
-
-def print_rms_results(rms_rel, error, threshold=1.0):
-    """Print RMS error results"""
-    print(f"\n{Color.BOLD}1. RMS Error Analysis (Baseline vs Optimized){Color.RESET}")
-    print("-" * 45)
-
-    if error:
-        print(f"   {Color.RED}Error: {error}{Color.RESET}")
-        return False
-
-    passed = rms_rel < threshold
-
-    print(f"   RMS relative error: {rms_rel:.4f}%")
-    print(f"   Requirement:        < {threshold}%")
-    print(f"   Status:             {get_status_text(passed)}")
-
-    return passed
-
-
-def print_constraint_results(results, threshold=2.0):
-    """Print constraint violation results"""
-    print(f"\n{Color.BOLD}2. ADM Constraint Violation Analysis (Grid Level 0){Color.RESET}")
-    print("-" * 45)
-
-    names = ['Ham', 'Px', 'Py', 'Pz', 'Gx', 'Gy', 'Gz']
-    for i, name in enumerate(names):
-        print(f"   Max |{name:3}|: {results[name]:.6f}", end="   ")
-        if (i + 1) % 2 == 0: print()
-    if len(names) % 2 != 0: print()
-
-    passed = results['max_violation'] < threshold
-    
-    print(f"\n   Maximum violation:  {results['max_violation']:.6f}")
-    print(f"   Requirement:        < {threshold}")
-    print(f"   Status:             {get_status_text(passed)}")
-
-    return passed
-
-
-def print_summary(rms_passed, constraint_passed):
-    """Print summary"""
-    print("\n" + Color.BLUE + Color.BOLD + "=" * 65 + Color.RESET)
-    print(Color.BOLD + "Verification Summary" + Color.RESET)
-    print(Color.BLUE + Color.BOLD + "=" * 65 + Color.RESET)
-
-    all_passed = rms_passed and constraint_passed
-    
-    res_rms = get_status_text(rms_passed)
-    res_con = get_status_text(constraint_passed)
-
-    print(f"   [1] RMS trajectory check:         {res_rms}")
-    print(f"   [2] ADM constraint check:         {res_con}")
-    
-    final_status = f"{Color.GREEN}{Color.BOLD}ALL CHECKS PASSED{Color.RESET}" if all_passed else f"{Color.RED}{Color.BOLD}SOME CHECKS FAILED{Color.RESET}"
-    print(f"\n   Overall result: {final_status}")
-    print(Color.BLUE + Color.BOLD + "=" * 65 + Color.RESET + "\n")
-
-    return all_passed
-
-
-def main():
-    # Determine target (optimized) output directory
-    if len(sys.argv) > 1:
-        target_dir = sys.argv[1]
-    else:
-        script_dir = os.path.dirname(os.path.abspath(__file__))
-        target_dir = os.path.join(script_dir, "GW150914/AMSS_NCKU_output")
-
-    # Determine reference (baseline) directory
-    script_dir = os.path.dirname(os.path.abspath(__file__))
-    reference_dir = os.path.join(script_dir, "GW150914-origin/AMSS_NCKU_output")
-
-    # Data file paths
-    bh_file_ref = os.path.join(reference_dir, "bssn_BH.dat")
-    bh_file_target = os.path.join(target_dir, "bssn_BH.dat")
-    constraint_file = os.path.join(target_dir, "bssn_constraint.dat")
-
-    # Check if files exist
-    if not os.path.exists(bh_file_ref):
-        print(f"{Color.RED}{Color.BOLD}Error:{Color.RESET} Baseline trajectory file not found: {bh_file_ref}")
-        sys.exit(1)
-
-    if not os.path.exists(bh_file_target):
-        print(f"{Color.RED}{Color.BOLD}Error:{Color.RESET} Target trajectory file not found: {bh_file_target}")
-        sys.exit(1)
-
-    if not os.path.exists(constraint_file):
-        print(f"{Color.RED}{Color.BOLD}Error:{Color.RESET} Constraint data file not found: {constraint_file}")
-        sys.exit(1)
-
-    # Print header
-    print_header()
-    print(f"\n{Color.BOLD}Reference (Baseline):{Color.RESET} {Color.BLUE}{reference_dir}{Color.RESET}")
-    print(f"{Color.BOLD}Target (Optimized):  {Color.RESET} {Color.BLUE}{target_dir}{Color.RESET}")
-
-    # Load data
-    bh_data_ref = load_bh_trajectory(bh_file_ref)
-    bh_data_target = load_bh_trajectory(bh_file_target)
-    constraint_data = load_constraint_data(constraint_file)
-
-    # Calculate RMS error
-    rms_rel, error = calculate_rms_error(bh_data_ref, bh_data_target)
-    rms_passed = print_rms_results(rms_rel, error)
-
-    # Analyze constraint violation
-    constraint_results = analyze_constraint_violation(constraint_data)
-    constraint_passed = print_constraint_results(constraint_results)
-
-    # Print summary
-    all_passed = print_summary(rms_passed, constraint_passed)
-
-    # Return exit code
-    sys.exit(0 if all_passed else 1)
-
-
-if __name__ == "__main__":
-    main()

AMSS_NCKU_source/ABE.C

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

AMSS_NCKU_source/Ansorg.h

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

AMSS_NCKU_source/Block.h

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

AMSS_NCKU_source/FFT.f90

@@ -37,51 +37,57 @@ 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/IntPnts0.C

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

AMSS_NCKU_source/MPatch.C

@@ -341,9 +341,8 @@ void Patch::Interp_Points(MyList<var> *VarList,
                           double *Shellf, int Symmetry)
 {
   // NOTE: we do not Synchnize variables here, make sure of that before calling this routine
-  int myrank, nprocs;
+  int myrank;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-  MPI_Comm_size(MPI_COMM_WORLD, &nprocs);
 
   int ordn = 2 * ghost_width;
   MyList<var> *varl;
@@ -355,18 +354,24 @@ void Patch::Interp_Points(MyList<var> *VarList,
     varl = varl->next;
   }
 
-  memset(Shellf, 0, sizeof(double) * NN * num_var);
+  double *shellf;
+  shellf = new double[NN * num_var];
+  memset(shellf, 0, sizeof(double) * NN * num_var);
 
-  // owner_rank[j] records which MPI rank owns point j
+  // we use weight to monitor code, later some day we can move it for optimization
-  // All ranks traverse the same block list so they all agree on ownership
+  int *weight;
-  int *owner_rank;
+  weight = new int[NN];
-  owner_rank = new int[NN];
+  memset(weight, 0, sizeof(int) * NN);
-  for (int j = 0; j < NN; j++)
+
-    owner_rank[j] = -1;
+  double *DH, *llb, *uub;
+  DH = new double[dim];
 
-  double DH[dim], llb[dim], uub[dim];
   for (int i = 0; i < dim; i++)
+  {
     DH[i] = getdX(i);
+  }
+  llb = new double[dim];
+  uub = new double[dim];
 
   for (int j = 0; j < NN; j++) // run along points
   {
@@ -398,6 +403,12 @@ void Patch::Interp_Points(MyList<var> *VarList,
       bool flag = true;
       for (int i = 0; i < dim; i++)
       {
+// NOTE: our dividing structure is (exclude ghost)
+// -1 0
+//       1  2
+// so (0,1) does not belong to any part for vertex structure
+// here we put (0,0.5) to left part and (0.5,1) to right part
+// BUT for cell structure the bbox is (-1.5,0.5) and (0.5,2.5), there is no missing region at all
 #ifdef Vertex
 #ifdef Cell
 #error Both Cell and Vertex are defined
@@ -422,7 +433,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
       if (flag)
       {
         notfind = false;
-        owner_rank[j] = BP->rank;
         if (myrank == BP->rank)
         {
           //---> interpolation
@@ -430,11 +440,14 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
+            //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
+            //	  		                                    pox,ordn,varl->data->SoA,Symmetry);
+            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[j * num_var + k],
                             pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
             varl = varl->next;
             k++;
           }
+          weight[j] = 1;
         }
       }
       if (Bp == ble)
@@ -443,327 +456,103 @@ void Patch::Interp_Points(MyList<var> *VarList,
     }
   }
 
-  // Replace MPI_Allreduce with per-owner MPI_Bcast:
+  MPI_Allreduce(shellf, Shellf, NN * num_var, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-  // Group consecutive points by owner rank and broadcast each group.
+  int *Weight;
-  // Since each point's data is non-zero only on the owner rank,
+  Weight = new int[NN];
-  // Bcast from owner is equivalent to Allreduce(MPI_SUM) but much cheaper.
+  MPI_Allreduce(weight, Weight, NN, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+
+  //  misc::tillherecheck("print me");
+
+  for (int i = 0; i < NN; i++)
   {
-    int j = 0;
+    if (Weight[i] > 1)
-    while (j < NN)
     {
-      int cur_owner = owner_rank[j];
+      if (myrank == 0)
-      if (cur_owner < 0)
+        cout << "WARNING: Patch::Interp_Points meets multiple weight" << endl;
-      {
+      for (int j = 0; j < num_var; j++)
-        if (myrank == 0)
+        Shellf[j + i * num_var] = Shellf[j + i * num_var] / Weight[i];
-        {
-          cout << "ERROR: Patch::Interp_Points fails to find point (";
-          for (int d = 0; d < dim; d++)
-          {
-            cout << XX[d][j];
-            if (d < dim - 1)
-              cout << ",";
-            else
-              cout << ")";
-          }
-          cout << " on Patch (";
-          for (int d = 0; d < dim; d++)
-          {
-            cout << bbox[d] << "+" << lli[d] * DH[d];
-            if (d < dim - 1)
-              cout << ",";
-            else
-              cout << ")--";
-          }
-          cout << "(";
-          for (int d = 0; d < dim; d++)
-          {
-            cout << bbox[dim + d] << "-" << uui[d] * DH[d];
-            if (d < dim - 1)
-              cout << ",";
-            else
-              cout << ")" << endl;
-          }
-          MPI_Abort(MPI_COMM_WORLD, 1);
-        }
-        j++;
-        continue;
-      }
-      // Find contiguous run of points with the same owner
-      int jstart = j;
-      while (j < NN && owner_rank[j] == cur_owner)
-        j++;
-      int count = (j - jstart) * num_var;
-      MPI_Bcast(Shellf + jstart * num_var, count, MPI_DOUBLE, cur_owner, MPI_COMM_WORLD);
     }
-  }
+    else if (Weight[i] == 0 && myrank == 0)
-
-  delete[] owner_rank;
-}
-void Patch::Interp_Points(MyList<var> *VarList,
-                          int NN, double **XX,
-                          double *Shellf, int Symmetry,
-                          int Nmin_consumer, int Nmax_consumer)
-{
-  // Targeted point-to-point overload: each owner sends each point only to
-  // the one rank that needs it for integration (consumer), reducing
-  // communication volume by ~nprocs times compared to the Bcast version.
-  int myrank, nprocs;
-  MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-  MPI_Comm_size(MPI_COMM_WORLD, &nprocs);
-
-  int ordn = 2 * ghost_width;
-  MyList<var> *varl;
-  int num_var = 0;
-  varl = VarList;
-  while (varl)
-  {
-    num_var++;
-    varl = varl->next;
-  }
-
-  memset(Shellf, 0, sizeof(double) * NN * num_var);
-
-  // owner_rank[j] records which MPI rank owns point j
-  int *owner_rank;
-  owner_rank = new int[NN];
-  for (int j = 0; j < NN; j++)
-    owner_rank[j] = -1;
-
-  double DH[dim], llb[dim], uub[dim];
-  for (int i = 0; i < dim; i++)
-    DH[i] = getdX(i);
-
-  // --- Interpolation phase (identical to original) ---
-  for (int j = 0; j < NN; j++)
-  {
-    double pox[dim];
-    for (int i = 0; i < dim; i++)
-    {
-      pox[i] = XX[i][j];
-      if (myrank == 0 && (XX[i][j] < bbox[i] + lli[i] * DH[i] || XX[i][j] > bbox[dim + i] - uui[i] * DH[i]))
-      {
-        cout << "Patch::Interp_Points: point (";
-        for (int k = 0; k < dim; k++)
-        {
-          cout << XX[k][j];
-          if (k < dim - 1)
-            cout << ",";
-          else
-            cout << ") is out of current Patch." << endl;
-        }
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
-
-    MyList<Block> *Bp = blb;
-    bool notfind = true;
-    while (notfind && Bp)
-    {
-      Block *BP = Bp->data;
-
-      bool flag = true;
-      for (int i = 0; i < dim; i++)
-      {
-#ifdef Vertex
-#ifdef Cell
-#error Both Cell and Vertex are defined
-#endif
-        llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + (ghost_width - 0.5) * DH[i];
-        uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - (ghost_width - 0.5) * DH[i];
-#else
-#ifdef Cell
-        llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + ghost_width * DH[i];
-        uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - ghost_width * DH[i];
-#else
-#error Not define Vertex nor Cell
-#endif
-#endif
-        if (XX[i][j] - llb[i] < -DH[i] / 2 || XX[i][j] - uub[i] > DH[i] / 2)
-        {
-          flag = false;
-          break;
-        }
-      }
-
-      if (flag)
-      {
-        notfind = false;
-        owner_rank[j] = BP->rank;
-        if (myrank == BP->rank)
-        {
-          varl = VarList;
-          int k = 0;
-          while (varl)
-          {
-            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
-                            pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
-            varl = varl->next;
-            k++;
-          }
-        }
-      }
-      if (Bp == ble)
-        break;
-      Bp = Bp->next;
-    }
-  }
-
-  // --- 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++)
+      for (int j = 0; j < dim; j++)
       {
-        cout << XX[d][j];
+        cout << XX[j][i];
-        if (d < dim - 1)
+        if (j < dim - 1)
           cout << ",";
         else
           cout << ")";
       }
       cout << " on Patch (";
-      for (int d = 0; d < dim; d++)
+      for (int j = 0; j < dim; j++)
       {
-        cout << bbox[d] << "+" << lli[d] * DH[d];
+        cout << bbox[j] << "+" << lli[j] * getdX(j);
-        if (d < dim - 1)
+        if (j < dim - 1)
           cout << ",";
         else
           cout << ")--";
       }
       cout << "(";
-      for (int d = 0; d < dim; d++)
+      for (int j = 0; j < dim; j++)
       {
-        cout << bbox[dim + d] << "-" << uui[d] * DH[d];
+        cout << bbox[dim + j] << "-" << uui[j] * getdX(j);
-        if (d < dim - 1)
+        if (j < dim - 1)
           cout << ",";
         else
           cout << ")" << endl;
       }
+#if 0
+       checkBlock();
+#else
+      cout << "splited domains:" << endl;
+      {
+        MyList<Block> *Bp = blb;
+        while (Bp)
+        {
+          Block *BP = Bp->data;
+
+          for (int i = 0; i < dim; i++)
+          {
+#ifdef Vertex
+#ifdef Cell
+#error Both Cell and Vertex are defined
+#endif
+            llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + (ghost_width - 0.5) * DH[i];
+            uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - (ghost_width - 0.5) * DH[i];
+#else
+#ifdef Cell
+            llb[i] = (feq(BP->bbox[i], bbox[i], DH[i] / 2)) ? BP->bbox[i] + lli[i] * DH[i] : BP->bbox[i] + ghost_width * DH[i];
+            uub[i] = (feq(BP->bbox[dim + i], bbox[dim + i], DH[i] / 2)) ? BP->bbox[dim + i] - uui[i] * DH[i] : BP->bbox[dim + i] - ghost_width * DH[i];
+#else
+#error Not define Vertex nor Cell
+#endif
+#endif
+          }
+          cout << "(";
+          for (int j = 0; j < dim; j++)
+          {
+            cout << llb[j] << ":" << uub[j];
+            if (j < dim - 1)
+              cout << ",";
+            else
+              cout << ")" << endl;
+          }
+          if (Bp == ble)
+            break;
+          Bp = Bp->next;
+        }
+      }
+#endif
       MPI_Abort(MPI_COMM_WORLD, 1);
     }
   }
 
-  // --- Targeted point-to-point communication phase ---
+  delete[] shellf;
-  // Compute consumer_rank[j] using the same deterministic formula as surface_integral
+  delete[] weight;
-  int *consumer_rank = new int[NN];
+  delete[] Weight;
-  {
+  delete[] DH;
-    int mp = NN / nprocs;
+  delete[] llb;
-    int Lp = NN - nprocs * mp;
+  delete[] uub;
-    for (int j = 0; j < NN; j++)
-    {
-      if (j < Lp * (mp + 1))
-        consumer_rank[j] = j / (mp + 1);
-      else
-        consumer_rank[j] = Lp + (j - Lp * (mp + 1)) / mp;
-    }
-  }
-
-  // Count sends and recvs per rank
-  int *send_count = new int[nprocs];
-  int *recv_count = new int[nprocs];
-  memset(send_count, 0, sizeof(int) * nprocs);
-  memset(recv_count, 0, sizeof(int) * nprocs);
-
-  for (int j = 0; j < NN; j++)
-  {
-    int own = owner_rank[j];
-    int con = consumer_rank[j];
-    if (own == con)
-      continue; // local — no communication needed
-    if (own == myrank)
-      send_count[con]++;
-    if (con == myrank)
-      recv_count[own]++;
-  }
-
-  // Build send buffers: for each destination rank, pack (index, data) pairs
-  // Each entry: 1 int (point index j) + num_var doubles
-  int total_send = 0, total_recv = 0;
-  int *send_offset = new int[nprocs];
-  int *recv_offset = new int[nprocs];
-  for (int r = 0; r < nprocs; r++)
-  {
-    send_offset[r] = total_send;
-    total_send += send_count[r];
-    recv_offset[r] = total_recv;
-    total_recv += recv_count[r];
-  }
-
-  // Pack send buffers: each message contains (j, data[0..num_var-1]) per point
-  int stride = 1 + num_var; // 1 double for index + num_var doubles for data
-  double *sendbuf = new double[total_send * stride];
-  double *recvbuf = new double[total_recv * stride];
-
-  // Temporary counters for packing
-  int *pack_pos = new int[nprocs];
-  memset(pack_pos, 0, sizeof(int) * nprocs);
-
-  for (int j = 0; j < NN; j++)
-  {
-    int own = owner_rank[j];
-    int con = consumer_rank[j];
-    if (own != myrank || con == myrank)
-      continue;
-    int pos = (send_offset[con] + pack_pos[con]) * stride;
-    sendbuf[pos] = (double)j; // point index
-    for (int v = 0; v < num_var; v++)
-      sendbuf[pos + 1 + v] = Shellf[j * num_var + v];
-    pack_pos[con]++;
-  }
-
-  // Post non-blocking recvs and sends
-  int n_req = 0;
-  for (int r = 0; r < nprocs; r++)
-  {
-    if (recv_count[r] > 0) n_req++;
-    if (send_count[r] > 0) n_req++;
-  }
-
-  MPI_Request *reqs = new MPI_Request[n_req];
-  int req_idx = 0;
-
-  for (int r = 0; r < nprocs; r++)
-  {
-    if (recv_count[r] > 0)
-    {
-      MPI_Irecv(recvbuf + recv_offset[r] * stride,
-                recv_count[r] * stride, MPI_DOUBLE,
-                r, 0, MPI_COMM_WORLD, &reqs[req_idx++]);
-    }
-  }
-  for (int r = 0; r < nprocs; r++)
-  {
-    if (send_count[r] > 0)
-    {
-      MPI_Isend(sendbuf + send_offset[r] * stride,
-                send_count[r] * stride, MPI_DOUBLE,
-                r, 0, MPI_COMM_WORLD, &reqs[req_idx++]);
-    }
-  }
-
-  if (n_req > 0)
-    MPI_Waitall(n_req, reqs, MPI_STATUSES_IGNORE);
-
-  // Unpack recv buffers into Shellf
-  for (int i = 0; i < total_recv; i++)
-  {
-    int pos = i * stride;
-    int j = (int)recvbuf[pos];
-    for (int v = 0; v < num_var; v++)
-      Shellf[j * num_var + v] = recvbuf[pos + 1 + v];
-  }
-
-  delete[] reqs;
-  delete[] sendbuf;
-  delete[] recvbuf;
-  delete[] pack_pos;
-  delete[] send_offset;
-  delete[] recv_offset;
-  delete[] send_count;
-  delete[] recv_count;
-  delete[] consumer_rank;
-  delete[] owner_rank;
 }
 void Patch::Interp_Points(MyList<var> *VarList,
                           int NN, double **XX,
@@ -784,22 +573,24 @@ void Patch::Interp_Points(MyList<var> *VarList,
     varl = varl->next;
   }
 
-  memset(Shellf, 0, sizeof(double) * NN * num_var);
+  double *shellf;
+  shellf = new double[NN * num_var];
+  memset(shellf, 0, sizeof(double) * NN * num_var);
 
-  // owner_rank[j] stores the global rank that owns point j
+  // we use weight to monitor code, later some day we can move it for optimization
-  int *owner_rank;
+  int *weight;
-  owner_rank = new int[NN];
+  weight = new int[NN];
-  for (int j = 0; j < NN; j++)
+  memset(weight, 0, sizeof(int) * NN);
-    owner_rank[j] = -1;
 
-  // Build global-to-local rank translation for Comm_here
+  double *DH, *llb, *uub;
-  MPI_Group world_group, local_group;
+  DH = new double[dim];
-  MPI_Comm_group(MPI_COMM_WORLD, &world_group);
-  MPI_Comm_group(Comm_here, &local_group);
 
-  double DH[dim], llb[dim], uub[dim];
   for (int i = 0; i < dim; i++)
+  {
     DH[i] = getdX(i);
+  }
+  llb = new double[dim];
+  uub = new double[dim];
 
   for (int j = 0; j < NN; j++) // run along points
   {
@@ -831,6 +622,12 @@ void Patch::Interp_Points(MyList<var> *VarList,
       bool flag = true;
       for (int i = 0; i < dim; i++)
       {
+// NOTE: our dividing structure is (exclude ghost)
+// -1 0
+//       1  2
+// so (0,1) does not belong to any part for vertex structure
+// here we put (0,0.5) to left part and (0.5,1) to right part
+// BUT for cell structure the bbox is (-1.5,0.5) and (0.5,2.5), there is no missing region at all
 #ifdef Vertex
 #ifdef Cell
 #error Both Cell and Vertex are defined
@@ -855,7 +652,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
       if (flag)
       {
         notfind = false;
-        owner_rank[j] = BP->rank;
         if (myrank == BP->rank)
         {
           //---> interpolation
@@ -863,11 +659,14 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], Shellf[j * num_var + k],
+            //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
+            //	  		                                    pox,ordn,varl->data->SoA,Symmetry);
+            f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[j * num_var + k],
                             pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
             varl = varl->next;
             k++;
           }
+          weight[j] = 1;
         }
       }
       if (Bp == ble)
@@ -876,35 +675,97 @@ void Patch::Interp_Points(MyList<var> *VarList,
     }
   }
 
-  // Collect unique global owner ranks and translate to local ranks in Comm_here
+  MPI_Allreduce(shellf, Shellf, NN * num_var, MPI_DOUBLE, MPI_SUM, Comm_here);
-  // Then broadcast each owner's points via MPI_Bcast on Comm_here
+  int *Weight;
-  {
+  Weight = new int[NN];
-    int j = 0;
+  MPI_Allreduce(weight, Weight, NN, MPI_INT, MPI_SUM, Comm_here);
-    while (j < NN)
-    {
-      int cur_owner_global = owner_rank[j];
-      if (cur_owner_global < 0)
-      {
-        // Point not found — skip (error check disabled for sub-communicator levels)
-        j++;
-        continue;
-      }
-      // Translate global rank to local rank in Comm_here
-      int cur_owner_local;
-      MPI_Group_translate_ranks(world_group, 1, &cur_owner_global, local_group, &cur_owner_local);
 
-      // Find contiguous run of points with the same owner
+  //  misc::tillherecheck("print me");
-      int jstart = j;
+  //  if(lmyrank == 0) cout<<"myrank = "<<myrank<<"print me"<<endl;
-      while (j < NN && owner_rank[j] == cur_owner_global)
+
-        j++;
+  for (int i = 0; i < NN; i++)
-      int count = (j - jstart) * num_var;
+  {
-      MPI_Bcast(Shellf + jstart * num_var, count, MPI_DOUBLE, cur_owner_local, Comm_here);
+    if (Weight[i] > 1)
+    {
+      if (lmyrank == 0)
+        cout << "WARNING: Patch::Interp_Points meets multiple weight" << endl;
+      for (int j = 0; j < num_var; j++)
+        Shellf[j + i * num_var] = Shellf[j + i * num_var] / Weight[i];
     }
+#if 0 // for not involved levels, this may fail     
+     else if(Weight[i] == 0 && lmyrank == 0)
+     {
+       cout<<"ERROR: Patch::Interp_Points fails to find point (";
+       for(int j=0;j<dim;j++)
+       {
+	  cout<<XX[j][i];
+	  if(j<dim-1) cout<<",";
+	  else        cout<<")";
+       }
+       cout<<" on Patch (";
+       for(int j=0;j<dim;j++)
+       {
+	  cout<<bbox[j]<<"+"<<lli[j]*getdX(j);
+	  if(j<dim-1) cout<<",";
+	  else        cout<<")--";
+       }
+       cout<<"(";
+       for(int j=0;j<dim;j++)
+       {
+	  cout<<bbox[dim+j]<<"-"<<uui[j]*getdX(j);
+	  if(j<dim-1) cout<<",";
+	  else        cout<<")"<<endl;
+       }
+#if 0
+       checkBlock();
+#else
+  cout<<"splited domains:"<<endl;
+  {
+     MyList<Block> *Bp=blb;
+     while(Bp)
+     {
+	Block *BP=Bp->data;
+
+	for(int i=0;i<dim;i++)
+	{
+#ifdef Vertex
+#ifdef Cell
+#error Both Cell and Vertex are defined
+#endif    
+          llb[i] = (feq(BP->bbox[i]    ,bbox[i]    ,DH[i]/2)) ? BP->bbox[i]+lli[i]*DH[i]     : BP->bbox[i]    +(ghost_width-0.5)*DH[i];
+          uub[i] = (feq(BP->bbox[dim+i],bbox[dim+i],DH[i]/2)) ? BP->bbox[dim+i]-uui[i]*DH[i] : BP->bbox[dim+i]-(ghost_width-0.5)*DH[i];
+#else
+#ifdef Cell
+          llb[i] = (feq(BP->bbox[i]    ,bbox[i]    ,DH[i]/2)) ? BP->bbox[i]+lli[i]*DH[i]     : BP->bbox[i]    +ghost_width*DH[i];
+          uub[i] = (feq(BP->bbox[dim+i],bbox[dim+i],DH[i]/2)) ? BP->bbox[dim+i]-uui[i]*DH[i] : BP->bbox[dim+i]-ghost_width*DH[i];
+#else
+#error Not define Vertex nor Cell
+#endif
+#endif 
+	}       
+       cout<<"(";
+       for(int j=0;j<dim;j++)
+       {
+	  cout<<llb[j]<<":"<<uub[j];
+	  if(j<dim-1) cout<<",";
+	  else        cout<<")"<<endl;
+       }
+	if(Bp == ble) break;
+	Bp=Bp->next;
+     }
+  }
+#endif       
+       MPI_Abort(MPI_COMM_WORLD,1);
+     }
+#endif
   }
 
-  MPI_Group_free(&world_group);
+  delete[] shellf;
-  MPI_Group_free(&local_group);
+  delete[] weight;
-  delete[] owner_rank;
+  delete[] Weight;
+  delete[] DH;
+  delete[] llb;
+  delete[] uub;
 }
 void Patch::checkBlock()
 {

AMSS_NCKU_source/MPatch.h

@@ -2,11 +2,7 @@
 #ifndef PATCH_H
 #define PATCH_H
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 #include "MyList.h"
 #include "Block.h"
 #include "var.h"
@@ -43,10 +39,6 @@ public:
 
    bool Find_Point(double *XX);
 
-   void Interp_Points(MyList<var> *VarList,
-                      int NN, double **XX,
-                      double *Shellf, int Symmetry,
-                      int Nmin_consumer, int Nmax_consumer);
    void Interp_Points(MyList<var> *VarList,
                       int NN, double **XX,
                       double *Shellf, int Symmetry, MPI_Comm Comm_here);

AMSS_NCKU_source/Newton.C

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

AMSS_NCKU_source/NullShellPatch.h

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

AMSS_NCKU_source/NullShellPatch2.h

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

AMSS_NCKU_source/Parallel.C

@@ -3756,484 +3756,6 @@ void Parallel::Sync(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry)
   delete[] transfer_src;
   delete[] transfer_dst;
 }
-// Merged Sync: collect all intra-patch and inter-patch grid segment lists,
-// then issue a single transfer() call instead of N+1 separate ones.
-void Parallel::Sync_merged(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry)
-{
-  int cpusize;
-  MPI_Comm_size(MPI_COMM_WORLD, &cpusize);
-
-  MyList<Parallel::gridseg> **combined_src = new MyList<Parallel::gridseg> *[cpusize];
-  MyList<Parallel::gridseg> **combined_dst = new MyList<Parallel::gridseg> *[cpusize];
-  for (int node = 0; node < cpusize; node++)
-    combined_src[node] = combined_dst[node] = 0;
-
-  // Phase A: Intra-patch ghost exchange segments
-  MyList<Patch> *Pp = PatL;
-  while (Pp)
-  {
-    Patch *Pat = Pp->data;
-    MyList<Parallel::gridseg> *dst_ghost = build_ghost_gsl(Pat);
-
-    for (int node = 0; node < cpusize; node++)
-    {
-      MyList<Parallel::gridseg> *src_owned = build_owned_gsl0(Pat, node);
-      MyList<Parallel::gridseg> *tsrc = 0, *tdst = 0;
-      build_gstl(src_owned, dst_ghost, &tsrc, &tdst);
-
-      if (tsrc)
-      {
-        if (combined_src[node])
-          combined_src[node]->catList(tsrc);
-        else
-          combined_src[node] = tsrc;
-      }
-      if (tdst)
-      {
-        if (combined_dst[node])
-          combined_dst[node]->catList(tdst);
-        else
-          combined_dst[node] = tdst;
-      }
-
-      if (src_owned)
-        src_owned->destroyList();
-    }
-
-    if (dst_ghost)
-      dst_ghost->destroyList();
-
-    Pp = Pp->next;
-  }
-
-  // Phase B: Inter-patch buffer exchange segments
-  MyList<Parallel::gridseg> *dst_buffer = build_buffer_gsl(PatL);
-  for (int node = 0; node < cpusize; node++)
-  {
-    MyList<Parallel::gridseg> *src_owned = build_owned_gsl(PatL, node, 5, Symmetry);
-    MyList<Parallel::gridseg> *tsrc = 0, *tdst = 0;
-    build_gstl(src_owned, dst_buffer, &tsrc, &tdst);
-
-    if (tsrc)
-    {
-      if (combined_src[node])
-        combined_src[node]->catList(tsrc);
-      else
-        combined_src[node] = tsrc;
-    }
-    if (tdst)
-    {
-      if (combined_dst[node])
-        combined_dst[node]->catList(tdst);
-      else
-        combined_dst[node] = tdst;
-    }
-
-    if (src_owned)
-      src_owned->destroyList();
-  }
-  if (dst_buffer)
-    dst_buffer->destroyList();
-
-  // Phase C: Single transfer
-  transfer(combined_src, combined_dst, VarList, VarList, Symmetry);
-
-  // Phase D: Cleanup
-  for (int node = 0; node < cpusize; node++)
-  {
-    if (combined_src[node])
-      combined_src[node]->destroyList();
-    if (combined_dst[node])
-      combined_dst[node]->destroyList();
-  }
-  delete[] combined_src;
-  delete[] combined_dst;
-}
-// SyncCache constructor
-Parallel::SyncCache::SyncCache()
-    : valid(false), cpusize(0), combined_src(0), combined_dst(0),
-      send_lengths(0), recv_lengths(0), send_bufs(0), recv_bufs(0),
-      send_buf_caps(0), recv_buf_caps(0), reqs(0), stats(0), max_reqs(0)
-{
-}
-// SyncCache invalidate: free grid segment lists but keep buffers
-void Parallel::SyncCache::invalidate()
-{
-  if (!valid)
-    return;
-  for (int i = 0; i < cpusize; i++)
-  {
-    if (combined_src[i])
-      combined_src[i]->destroyList();
-    if (combined_dst[i])
-      combined_dst[i]->destroyList();
-    combined_src[i] = combined_dst[i] = 0;
-    send_lengths[i] = recv_lengths[i] = 0;
-  }
-  valid = false;
-}
-// SyncCache destroy: free everything
-void Parallel::SyncCache::destroy()
-{
-  invalidate();
-  if (combined_src) delete[] combined_src;
-  if (combined_dst) delete[] combined_dst;
-  if (send_lengths) delete[] send_lengths;
-  if (recv_lengths) delete[] recv_lengths;
-  if (send_buf_caps) delete[] send_buf_caps;
-  if (recv_buf_caps) delete[] recv_buf_caps;
-  for (int i = 0; i < cpusize; i++)
-  {
-    if (send_bufs && send_bufs[i]) delete[] send_bufs[i];
-    if (recv_bufs && recv_bufs[i]) delete[] recv_bufs[i];
-  }
-  if (send_bufs) delete[] send_bufs;
-  if (recv_bufs) delete[] recv_bufs;
-  if (reqs) delete[] reqs;
-  if (stats) delete[] stats;
-  combined_src = combined_dst = 0;
-  send_lengths = recv_lengths = 0;
-  send_buf_caps = recv_buf_caps = 0;
-  send_bufs = recv_bufs = 0;
-  reqs = 0; stats = 0;
-  cpusize = 0; max_reqs = 0;
-}
-// transfer_cached: reuse pre-allocated buffers from SyncCache
-void Parallel::transfer_cached(MyList<Parallel::gridseg> **src, MyList<Parallel::gridseg> **dst,
-                               MyList<var> *VarList1, MyList<var> *VarList2,
-                               int Symmetry, SyncCache &cache)
-{
-  int myrank;
-  MPI_Comm_size(MPI_COMM_WORLD, &cache.cpusize);
-  MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-  int cpusize = cache.cpusize;
-
-  int req_no = 0;
-  int node;
-
-  for (node = 0; node < cpusize; node++)
-  {
-    if (node == myrank)
-    {
-      int length = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList1, VarList2, Symmetry);
-      cache.recv_lengths[node] = length;
-      if (length > 0)
-      {
-        if (length > cache.recv_buf_caps[node])
-        {
-          if (cache.recv_bufs[node]) delete[] cache.recv_bufs[node];
-          cache.recv_bufs[node] = new double[length];
-          cache.recv_buf_caps[node] = length;
-        }
-        data_packer(cache.recv_bufs[node], src[myrank], dst[myrank], node, PACK, VarList1, VarList2, Symmetry);
-      }
-    }
-    else
-    {
-      // send
-      int slength = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList1, VarList2, Symmetry);
-      cache.send_lengths[node] = slength;
-      if (slength > 0)
-      {
-        if (slength > cache.send_buf_caps[node])
-        {
-          if (cache.send_bufs[node]) delete[] cache.send_bufs[node];
-          cache.send_bufs[node] = new double[slength];
-          cache.send_buf_caps[node] = slength;
-        }
-        data_packer(cache.send_bufs[node], src[myrank], dst[myrank], node, PACK, VarList1, VarList2, Symmetry);
-        MPI_Isend((void *)cache.send_bufs[node], slength, MPI_DOUBLE, node, 1, MPI_COMM_WORLD, cache.reqs + req_no++);
-      }
-      // recv
-      int rlength = data_packer(0, src[node], dst[node], node, UNPACK, VarList1, VarList2, Symmetry);
-      cache.recv_lengths[node] = rlength;
-      if (rlength > 0)
-      {
-        if (rlength > cache.recv_buf_caps[node])
-        {
-          if (cache.recv_bufs[node]) delete[] cache.recv_bufs[node];
-          cache.recv_bufs[node] = new double[rlength];
-          cache.recv_buf_caps[node] = rlength;
-        }
-        MPI_Irecv((void *)cache.recv_bufs[node], rlength, MPI_DOUBLE, node, 1, MPI_COMM_WORLD, cache.reqs + req_no++);
-      }
-    }
-  }
-
-  MPI_Waitall(req_no, cache.reqs, cache.stats);
-
-  for (node = 0; node < cpusize; node++)
-    if (cache.recv_bufs[node] && cache.recv_lengths[node] > 0)
-      data_packer(cache.recv_bufs[node], src[node], dst[node], node, UNPACK, VarList1, VarList2, Symmetry);
-}
-// Sync_cached: build grid segment lists on first call, reuse on subsequent calls
-void Parallel::Sync_cached(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry, SyncCache &cache)
-{
-  if (!cache.valid)
-  {
-    int cpusize;
-    MPI_Comm_size(MPI_COMM_WORLD, &cpusize);
-    cache.cpusize = cpusize;
-
-    // Allocate cache arrays if needed
-    if (!cache.combined_src)
-    {
-      cache.combined_src = new MyList<Parallel::gridseg> *[cpusize];
-      cache.combined_dst = new MyList<Parallel::gridseg> *[cpusize];
-      cache.send_lengths = new int[cpusize];
-      cache.recv_lengths = new int[cpusize];
-      cache.send_bufs = new double *[cpusize];
-      cache.recv_bufs = new double *[cpusize];
-      cache.send_buf_caps = new int[cpusize];
-      cache.recv_buf_caps = new int[cpusize];
-      for (int i = 0; i < cpusize; i++)
-      {
-        cache.send_bufs[i] = cache.recv_bufs[i] = 0;
-        cache.send_buf_caps[i] = cache.recv_buf_caps[i] = 0;
-      }
-      cache.max_reqs = 2 * cpusize;
-      cache.reqs = new MPI_Request[cache.max_reqs];
-      cache.stats = new MPI_Status[cache.max_reqs];
-    }
-
-    for (int node = 0; node < cpusize; node++)
-    {
-      cache.combined_src[node] = cache.combined_dst[node] = 0;
-      cache.send_lengths[node] = cache.recv_lengths[node] = 0;
-    }
-
-    // Build intra-patch segments (same as Sync_merged Phase A)
-    MyList<Patch> *Pp = PatL;
-    while (Pp)
-    {
-      Patch *Pat = Pp->data;
-      MyList<Parallel::gridseg> *dst_ghost = build_ghost_gsl(Pat);
-      for (int node = 0; node < cpusize; node++)
-      {
-        MyList<Parallel::gridseg> *src_owned = build_owned_gsl0(Pat, node);
-        MyList<Parallel::gridseg> *tsrc = 0, *tdst = 0;
-        build_gstl(src_owned, dst_ghost, &tsrc, &tdst);
-        if (tsrc)
-        {
-          if (cache.combined_src[node])
-            cache.combined_src[node]->catList(tsrc);
-          else
-            cache.combined_src[node] = tsrc;
-        }
-        if (tdst)
-        {
-          if (cache.combined_dst[node])
-            cache.combined_dst[node]->catList(tdst);
-          else
-            cache.combined_dst[node] = tdst;
-        }
-        if (src_owned) src_owned->destroyList();
-      }
-      if (dst_ghost) dst_ghost->destroyList();
-      Pp = Pp->next;
-    }
-
-    // Build inter-patch segments (same as Sync_merged Phase B)
-    MyList<Parallel::gridseg> *dst_buffer = build_buffer_gsl(PatL);
-    for (int node = 0; node < cpusize; node++)
-    {
-      MyList<Parallel::gridseg> *src_owned = build_owned_gsl(PatL, node, 5, Symmetry);
-      MyList<Parallel::gridseg> *tsrc = 0, *tdst = 0;
-      build_gstl(src_owned, dst_buffer, &tsrc, &tdst);
-      if (tsrc)
-      {
-        if (cache.combined_src[node])
-          cache.combined_src[node]->catList(tsrc);
-        else
-          cache.combined_src[node] = tsrc;
-      }
-      if (tdst)
-      {
-        if (cache.combined_dst[node])
-          cache.combined_dst[node]->catList(tdst);
-        else
-          cache.combined_dst[node] = tdst;
-      }
-      if (src_owned) src_owned->destroyList();
-    }
-    if (dst_buffer) dst_buffer->destroyList();
-
-    cache.valid = true;
-  }
-
-  // Use cached lists with buffer-reusing transfer
-  transfer_cached(cache.combined_src, cache.combined_dst, VarList, VarList, Symmetry, cache);
-}
-// Sync_start: pack and post MPI_Isend/Irecv, return immediately
-void Parallel::Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry,
-                          SyncCache &cache, AsyncSyncState &state)
-{
-  // Ensure cache is built
-  if (!cache.valid)
-  {
-    // Build cache (same logic as Sync_cached)
-    int cpusize;
-    MPI_Comm_size(MPI_COMM_WORLD, &cpusize);
-    cache.cpusize = cpusize;
-
-    if (!cache.combined_src)
-    {
-      cache.combined_src = new MyList<Parallel::gridseg> *[cpusize];
-      cache.combined_dst = new MyList<Parallel::gridseg> *[cpusize];
-      cache.send_lengths = new int[cpusize];
-      cache.recv_lengths = new int[cpusize];
-      cache.send_bufs = new double *[cpusize];
-      cache.recv_bufs = new double *[cpusize];
-      cache.send_buf_caps = new int[cpusize];
-      cache.recv_buf_caps = new int[cpusize];
-      for (int i = 0; i < cpusize; i++)
-      {
-        cache.send_bufs[i] = cache.recv_bufs[i] = 0;
-        cache.send_buf_caps[i] = cache.recv_buf_caps[i] = 0;
-      }
-      cache.max_reqs = 2 * cpusize;
-      cache.reqs = new MPI_Request[cache.max_reqs];
-      cache.stats = new MPI_Status[cache.max_reqs];
-    }
-
-    for (int node = 0; node < cpusize; node++)
-    {
-      cache.combined_src[node] = cache.combined_dst[node] = 0;
-      cache.send_lengths[node] = cache.recv_lengths[node] = 0;
-    }
-
-    MyList<Patch> *Pp = PatL;
-    while (Pp)
-    {
-      Patch *Pat = Pp->data;
-      MyList<Parallel::gridseg> *dst_ghost = build_ghost_gsl(Pat);
-      for (int node = 0; node < cpusize; node++)
-      {
-        MyList<Parallel::gridseg> *src_owned = build_owned_gsl0(Pat, node);
-        MyList<Parallel::gridseg> *tsrc = 0, *tdst = 0;
-        build_gstl(src_owned, dst_ghost, &tsrc, &tdst);
-        if (tsrc)
-        {
-          if (cache.combined_src[node])
-            cache.combined_src[node]->catList(tsrc);
-          else
-            cache.combined_src[node] = tsrc;
-        }
-        if (tdst)
-        {
-          if (cache.combined_dst[node])
-            cache.combined_dst[node]->catList(tdst);
-          else
-            cache.combined_dst[node] = tdst;
-        }
-        if (src_owned) src_owned->destroyList();
-      }
-      if (dst_ghost) dst_ghost->destroyList();
-      Pp = Pp->next;
-    }
-
-    MyList<Parallel::gridseg> *dst_buffer = build_buffer_gsl(PatL);
-    for (int node = 0; node < cpusize; node++)
-    {
-      MyList<Parallel::gridseg> *src_owned = build_owned_gsl(PatL, node, 5, Symmetry);
-      MyList<Parallel::gridseg> *tsrc = 0, *tdst = 0;
-      build_gstl(src_owned, dst_buffer, &tsrc, &tdst);
-      if (tsrc)
-      {
-        if (cache.combined_src[node])
-          cache.combined_src[node]->catList(tsrc);
-        else
-          cache.combined_src[node] = tsrc;
-      }
-      if (tdst)
-      {
-        if (cache.combined_dst[node])
-          cache.combined_dst[node]->catList(tdst);
-        else
-          cache.combined_dst[node] = tdst;
-      }
-      if (src_owned) src_owned->destroyList();
-    }
-    if (dst_buffer) dst_buffer->destroyList();
-    cache.valid = true;
-  }
-
-  // Now pack and post async MPI operations
-  int myrank;
-  MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-  int cpusize = cache.cpusize;
-  state.req_no = 0;
-  state.active = true;
-
-  MyList<Parallel::gridseg> **src = cache.combined_src;
-  MyList<Parallel::gridseg> **dst = cache.combined_dst;
-
-  for (int node = 0; node < cpusize; node++)
-  {
-    if (node == myrank)
-    {
-      int length = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
-      cache.recv_lengths[node] = length;
-      if (length > 0)
-      {
-        if (length > cache.recv_buf_caps[node])
-        {
-          if (cache.recv_bufs[node]) delete[] cache.recv_bufs[node];
-          cache.recv_bufs[node] = new double[length];
-          cache.recv_buf_caps[node] = length;
-        }
-        data_packer(cache.recv_bufs[node], src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
-      }
-    }
-    else
-    {
-      int slength = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
-      cache.send_lengths[node] = slength;
-      if (slength > 0)
-      {
-        if (slength > cache.send_buf_caps[node])
-        {
-          if (cache.send_bufs[node]) delete[] cache.send_bufs[node];
-          cache.send_bufs[node] = new double[slength];
-          cache.send_buf_caps[node] = slength;
-        }
-        data_packer(cache.send_bufs[node], src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
-        MPI_Isend((void *)cache.send_bufs[node], slength, MPI_DOUBLE, node, 2, MPI_COMM_WORLD, cache.reqs + state.req_no++);
-      }
-      int rlength = data_packer(0, src[node], dst[node], node, UNPACK, VarList, VarList, Symmetry);
-      cache.recv_lengths[node] = rlength;
-      if (rlength > 0)
-      {
-        if (rlength > cache.recv_buf_caps[node])
-        {
-          if (cache.recv_bufs[node]) delete[] cache.recv_bufs[node];
-          cache.recv_bufs[node] = new double[rlength];
-          cache.recv_buf_caps[node] = rlength;
-        }
-        MPI_Irecv((void *)cache.recv_bufs[node], rlength, MPI_DOUBLE, node, 2, MPI_COMM_WORLD, cache.reqs + state.req_no++);
-      }
-    }
-  }
-}
-// Sync_finish: wait for async MPI operations and unpack
-void Parallel::Sync_finish(SyncCache &cache, AsyncSyncState &state,
-                           MyList<var> *VarList, int Symmetry)
-{
-  if (!state.active)
-    return;
-
-  MPI_Waitall(state.req_no, cache.reqs, cache.stats);
-
-  int cpusize = cache.cpusize;
-  MyList<Parallel::gridseg> **src = cache.combined_src;
-  MyList<Parallel::gridseg> **dst = cache.combined_dst;
-
-  for (int node = 0; node < cpusize; node++)
-    if (cache.recv_bufs[node] && cache.recv_lengths[node] > 0)
-      data_packer(cache.recv_bufs[node], src[node], dst[node], node, UNPACK, VarList, VarList, Symmetry);
-
-  state.active = false;
-}
 // collect buffer grid segments or blocks for the periodic boundary condition of given patch
 // ---------------------------------------------------
 // |con |                                       |con |

AMSS_NCKU_source/Parallel.h

@@ -81,42 +81,6 @@ namespace Parallel
                    int Symmetry);
   void Sync(Patch *Pat, MyList<var> *VarList, int Symmetry);
   void Sync(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry);
-  void Sync_merged(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry);
-
-  struct SyncCache {
-    bool valid;
-    int cpusize;
-    MyList<gridseg> **combined_src;
-    MyList<gridseg> **combined_dst;
-    int *send_lengths;
-    int *recv_lengths;
-    double **send_bufs;
-    double **recv_bufs;
-    int *send_buf_caps;
-    int *recv_buf_caps;
-    MPI_Request *reqs;
-    MPI_Status *stats;
-    int max_reqs;
-    SyncCache();
-    void invalidate();
-    void destroy();
-  };
-
-  void Sync_cached(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry, SyncCache &cache);
-  void transfer_cached(MyList<gridseg> **src, MyList<gridseg> **dst,
-                       MyList<var> *VarList1, MyList<var> *VarList2,
-                       int Symmetry, SyncCache &cache);
-
-  struct AsyncSyncState {
-    int req_no;
-    bool active;
-    AsyncSyncState() : req_no(0), active(false) {}
-  };
-
-  void Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry,
-                  SyncCache &cache, AsyncSyncState &state);
-  void Sync_finish(SyncCache &cache, AsyncSyncState &state,
-                   MyList<var> *VarList, int Symmetry);
   void OutBdLow2Hi(Patch *Patc, Patch *Patf,
                    MyList<var> *VarList1 /* source */, MyList<var> *VarList2 /* target */,
                    int Symmetry);

AMSS_NCKU_source/ShellPatch.h

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

AMSS_NCKU_source/TwoPunctures.h

@@ -1,8 +1,7 @@
+
 #ifndef TWO_PUNCTURES_H
 #define TWO_PUNCTURES_H
 
-#include <omp.h>
-
 #define StencilSize 19
 #define N_PlaneRelax 1
 #define NRELAX 200
@@ -33,7 +32,7 @@ private:
        int npoints_A, npoints_B, npoints_phi;
 
        double target_M_plus, target_M_minus;
-
+       
        double admMass;
 
        double adm_tol;
@@ -43,18 +42,6 @@ private:
 
        int ntotal;
 
-       // ===== Precomputed spectral derivative matrices =====
-       double *D1_A, *D2_A;
-       double *D1_B, *D2_B;
-       double *DF1_phi, *DF2_phi;
-
-       // ===== Pre-allocated workspace for LineRelax (per-thread) =====
-       int max_threads;
-       double **ws_diag_be, **ws_e_be, **ws_f_be, **ws_b_be, **ws_x_be;
-       double **ws_l_be, **ws_u_be, **ws_d_be, **ws_y_be;
-       double **ws_diag_al, **ws_e_al, **ws_f_al, **ws_b_al, **ws_x_al;
-       double **ws_l_al, **ws_u_al, **ws_d_al, **ws_y_al;
-
        struct parameters
        {
               int nvar, n1, n2, n3;
@@ -71,28 +58,6 @@ public:
                     int Newtonmaxit);
        ~TwoPunctures();
 
-       // 02/07: New/modified methods
-       void allocate_workspace();
-       void free_workspace();
-       void precompute_derivative_matrices();
-       void build_cheb_deriv_matrices(int n, double *D1, double *D2);
-       void build_fourier_deriv_matrices(int N, double *DF1, double *DF2);
-       void Derivatives_AB3_MatMul(int nvar, int n1, int n2, int n3, derivs v);
-       void ThomasAlgorithm_ws(int N, double *b, double *a, double *c, double *x, double *q,
-                                double *l, double *u_ws, double *d, double *y);
-       void LineRelax_be_omp(double *dv,
-                         int const i, int const k, int const nvar,
-                         int const n1, int const n2, int const n3,
-                         double const *rhs, int const *ncols, int **cols,
-                         double **JFD, int tid);
-       void LineRelax_al_omp(double *dv,
-                         int const j, int const k, int const nvar,
-                         int const n1, int const n2, int const n3,
-                         double const *rhs, int const *ncols,
-                         int **cols, double **JFD, int tid);
-       void relax_omp(double *dv, int const nvar, int const n1, int const n2, int const n3,
-                  double const *rhs, int const *ncols, int **cols, double **JFD);
-
        void Solve();
        void set_initial_guess(derivs v);
        int index(int i, int j, int k, int l, int a, int b, int c, int d);
@@ -151,11 +116,23 @@ public:
        double BY_KKofxyz(double x, double y, double z);
        void SetMatrix_JFD(int nvar, int n1, int n2, int n3, derivs u, int *ncols, int **cols, double **Matrix);
        void J_times_dv(int nvar, int n1, int n2, int n3, derivs dv, double *Jdv, derivs u);
+       void relax(double *dv, int const nvar, int const n1, int const n2, int const n3,
+                  double const *rhs, int const *ncols, int **cols, double **JFD);
+       void LineRelax_be(double *dv,
+                         int const i, int const k, int const nvar,
+                         int const n1, int const n2, int const n3,
+                         double const *rhs, int const *ncols, int **cols,
+                         double **JFD);
        void JFD_times_dv(int i, int j, int k, int nvar, int n1, int n2,
                          int n3, derivs dv, derivs u, double *values);
        void LinEquations(double A, double B, double X, double R,
                          double x, double r, double phi,
                          double y, double z, derivs dU, derivs U, double *values);
+       void LineRelax_al(double *dv,
+                         int const j, int const k, int const nvar,
+                         int const n1, int const n2, int const n3,
+                         double const *rhs, int const *ncols,
+                         int **cols, double **JFD);
        void ThomasAlgorithm(int N, double *b, double *a, double *c, double *x, double *q);
        void Save(char *fname);
        // provided by Vasileios Paschalidis (vpaschal@illinois.edu)
@@ -164,4 +141,4 @@ public:
        void SpecCoef(parameters par, int ivar, double *v, double *cf);
 };
 
-#endif /* TWO_PUNCTURES_H */
+#endif /* TWO_PUNCTURES_H */

AMSS_NCKU_source/Z4c_class.h

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

AMSS_NCKU_source/bssnEM_class.h

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

AMSS_NCKU_source/bssnEScalar_class.h

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

AMSS_NCKU_source/bssn_class.C

@@ -730,12 +730,6 @@ void bssn_class::Initialize()
     PhysTime = StartTime;
     Setup_Black_Hole_position();
   }
-
-  // Initialize sync caches (per-level, for predictor and corrector)
-  sync_cache_pre = new Parallel::SyncCache[GH->levels];
-  sync_cache_cor = new Parallel::SyncCache[GH->levels];
-  sync_cache_rp_coarse = new Parallel::SyncCache[GH->levels];
-  sync_cache_rp_fine = new Parallel::SyncCache[GH->levels];
 }
 
 //================================================================================================
@@ -987,32 +981,6 @@ bssn_class::~bssn_class()
   delete Azzz;
 #endif
 
-  // Destroy sync caches before GH
-  if (sync_cache_pre)
-  {
-    for (int i = 0; i < GH->levels; i++)
-      sync_cache_pre[i].destroy();
-    delete[] sync_cache_pre;
-  }
-  if (sync_cache_cor)
-  {
-    for (int i = 0; i < GH->levels; i++)
-      sync_cache_cor[i].destroy();
-    delete[] sync_cache_cor;
-  }
-  if (sync_cache_rp_coarse)
-  {
-    for (int i = 0; i < GH->levels; i++)
-      sync_cache_rp_coarse[i].destroy();
-    delete[] sync_cache_rp_coarse;
-  }
-  if (sync_cache_rp_fine)
-  {
-    for (int i = 0; i < GH->levels; i++)
-      sync_cache_rp_fine[i].destroy();
-    delete[] sync_cache_rp_fine;
-  }
-
   delete GH;
 #ifdef WithShell
   delete SH;
@@ -2213,7 +2181,6 @@ void bssn_class::Evolve(int Steps)
     GH->Regrid(Symmetry, BH_num, Porgbr, Porg0,
                SynchList_cor, OldStateList, StateList, SynchList_pre,
                fgt(PhysTime - dT_mon, StartTime, dT_mon / 2), ErrorMonitor);
-    for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 #endif
 
 #if (REGLEV == 0 && (PSTR == 1 || PSTR == 2))
@@ -2429,7 +2396,6 @@ void bssn_class::RecursiveStep(int lev)
   GH->Regrid_Onelevel(lev, Symmetry, BH_num, Porgbr, Porg0,
                       SynchList_cor, OldStateList, StateList, SynchList_pre,
                       fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor);
-  for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 #endif
 }
 
@@ -2608,7 +2574,6 @@ void bssn_class::ParallelStep()
   GH->Regrid_Onelevel(GH->mylev, Symmetry, BH_num, Porgbr, Porg0,
                       SynchList_cor, OldStateList, StateList, SynchList_pre,
                       fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor);
-  for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 #endif
 }
 
@@ -2775,7 +2740,6 @@ void bssn_class::ParallelStep()
         GH->Regrid_Onelevel(lev + 1, Symmetry, BH_num, Porgbr, Porg0,
                             SynchList_cor, OldStateList, StateList, SynchList_pre,
                             fgt(PhysTime - dT_levp1, StartTime, dT_levp1 / 2), ErrorMonitor);
-        for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
         //               a_stream.clear();
         //               a_stream.str("");
@@ -2790,7 +2754,6 @@ void bssn_class::ParallelStep()
       GH->Regrid_Onelevel(lev, Symmetry, BH_num, Porgbr, Porg0,
                           SynchList_cor, OldStateList, StateList, SynchList_pre,
                           fgt(PhysTime - dT_lev, StartTime, dT_lev / 2), ErrorMonitor);
-      for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
       //               a_stream.clear();
       //               a_stream.str("");
@@ -2809,7 +2772,6 @@ void bssn_class::ParallelStep()
           GH->Regrid_Onelevel(lev - 1, Symmetry, BH_num, Porgbr, Porg0,
                               SynchList_cor, OldStateList, StateList, SynchList_pre,
                               fgt(PhysTime - dT_lev, StartTime, dT_levm1 / 2), ErrorMonitor);
-          for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
           //               a_stream.clear();
           //               a_stream.str("");
@@ -2825,7 +2787,6 @@ void bssn_class::ParallelStep()
           GH->Regrid_Onelevel(lev - 1, Symmetry, BH_num, Porgbr, Porg0,
                               SynchList_cor, OldStateList, StateList, SynchList_pre,
                               fgt(PhysTime - dT_lev, StartTime, dT_levm1 / 2), ErrorMonitor);
-          for (int il = 0; il < GH->levels; il++) { sync_cache_pre[il].invalidate(); sync_cache_cor[il].invalidate(); sync_cache_rp_coarse[il].invalidate(); sync_cache_rp_fine[il].invalidate(); }
 
           //               a_stream.clear();
           //               a_stream.str("");
@@ -3197,7 +3158,21 @@ void bssn_class::Step(int lev, int YN)
     }
     Pp = Pp->next;
   }
-  // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
+  // check error information
+  {
+    int erh = ERROR;
+    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+  }
+  if (ERROR)
+  {
+    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime << ", lev = " << lev << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
+  }
 
 #ifdef WithShell
   // evolve Shell Patches
@@ -3215,9 +3190,9 @@ void bssn_class::Step(int lev, int YN)
         {
 #if (AGM == 0)
           f_enforce_ga(cg->shape,
-                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn],
+                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                        cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
-                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn],
+                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn], 
                        cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
@@ -3341,16 +3316,25 @@ void bssn_class::Step(int lev, int YN)
 #endif
   }
 
-  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+  // check error information
-  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req);
+    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+  }
+
+  if (ERROR)
+  {
+    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " << PhysTime << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
   }
 #endif
 
-  Parallel::AsyncSyncState async_pre;
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
-  Parallel::Sync_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
 
 #ifdef WithShell
   if (lev == 0)
@@ -3363,29 +3347,12 @@ void bssn_class::Step(int lev, int YN)
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used "
+      cout << " Shell stuff synchronization used " 
-           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
            << " seconds! " << endl;
     }
   }
 #endif
-  Parallel::Sync_finish(sync_cache_pre[lev], async_pre, SynchList_pre, Symmetry);
-
-#ifdef WithShell
-  // Complete non-blocking error reduction and check
-  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
-  if (ERROR)
-  {
-    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
-    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime << ", lev = " << lev << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
-  }
-#endif
 
 #if (MAPBH == 0)
   // for black hole position
@@ -3561,7 +3528,24 @@ void bssn_class::Step(int lev, int YN)
       Pp = Pp->next;
     }
 
-    // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
+    // check error information
+    {
+      int erh = ERROR;
+      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    }
+
+    if (ERROR)
+    {
+      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count 
+                                << " variables at t = " << PhysTime 
+                                << ", lev = " << lev << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
 
 #ifdef WithShell
     // evolve Shell Patches
@@ -3579,9 +3563,9 @@ void bssn_class::Step(int lev, int YN)
           {
 #if (AGM == 0)
             f_enforce_ga(cg->shape,
-                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn],
+                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn], 
                          cg->fgfs[gyy->sgfn], cg->fgfs[gyz->sgfn], cg->fgfs[gzz->sgfn],
-                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn],
+                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn], 
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #elif (AGM == 1)
             if (iter_count == 3)
@@ -3701,16 +3685,26 @@ void bssn_class::Step(int lev, int YN)
         sPp = sPp->next;
       }
     }
-    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+    // check error information
-    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_cor);
+      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    }
+    if (ERROR)
+    {
+      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" 
+                                << iter_count << " variables at t = " 
+                                << PhysTime << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
     }
 #endif
 
-    Parallel::AsyncSyncState async_cor;
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
-    Parallel::Sync_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
 
 #ifdef WithShell
     if (lev == 0)
@@ -3723,31 +3717,12 @@ void bssn_class::Step(int lev, int YN)
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used "
+        cout << " Shell stuff synchronization used " 
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
              << " seconds! " << endl;
       }
     }
 #endif
-    Parallel::Sync_finish(sync_cache_cor[lev], async_cor, SynchList_cor, Symmetry);
-
-#ifdef WithShell
-    // Complete non-blocking error reduction and check
-    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
-    if (ERROR)
-    {
-      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
-      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count
-                                << " variables at t = " << PhysTime
-                                << ", lev = " << lev << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
-#endif
 
 #if (MAPBH == 0)
     // for black hole position
@@ -4059,7 +4034,22 @@ void bssn_class::Step(int lev, int YN)
     }
     Pp = Pp->next;
   }
-  // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
+  // check error information
+  {
+    int erh = ERROR;
+    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+  }
+  if (ERROR)
+  {
+    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime 
+                              << ", lev = " << lev << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
+  }
 
 #ifdef WithShell
   // evolve Shell Patches
@@ -4077,15 +4067,15 @@ void bssn_class::Step(int lev, int YN)
         {
 #if (AGM == 0)
           f_enforce_ga(cg->shape,
-                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn],
+                       cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                        cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
-                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn],
+                       cg->fgfs[Axx0->sgfn], cg->fgfs[Axy0->sgfn], cg->fgfs[Axz0->sgfn], 
                        cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
           if (f_compute_rhs_bssn_ss(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
-                                    cg->fgfs[fngfs + ShellPatch::gx],
+                                    cg->fgfs[fngfs + ShellPatch::gx], 
-                                    cg->fgfs[fngfs + ShellPatch::gy],
+                                    cg->fgfs[fngfs + ShellPatch::gy], 
                                     cg->fgfs[fngfs + ShellPatch::gz],
                                     cg->fgfs[fngfs + ShellPatch::drhodx], 
                                     cg->fgfs[fngfs + ShellPatch::drhody], 
@@ -4200,16 +4190,25 @@ void bssn_class::Step(int lev, int YN)
   }
 #endif
   }
-  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+  // check error information
-  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req);
+    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+  }
+  if (ERROR)
+  {
+    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " 
+                              << PhysTime << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
   }
 #endif
 
-  Parallel::AsyncSyncState async_pre;
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
-  Parallel::Sync_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
 
 #ifdef WithShell
   if (lev == 0)
@@ -4222,27 +4221,9 @@ void bssn_class::Step(int lev, int YN)
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used "
+      cout << " Shell stuff synchronization used " 
-           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+      << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
-           << " seconds! " << endl;
+      << " seconds! " << endl;
-    }
-  }
-#endif
-  Parallel::Sync_finish(sync_cache_pre[lev], async_pre, SynchList_pre, Symmetry);
-
-#ifdef WithShell
-  // Complete non-blocking error reduction and check
-  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
-  if (ERROR)
-  {
-    Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
-    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables at t = " << PhysTime
-                              << ", lev = " << lev << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
     }
   }
 #endif
@@ -4405,7 +4386,23 @@ void bssn_class::Step(int lev, int YN)
       Pp = Pp->next;
     }
 
-    // NOTE: error check deferred to after Shell Patch computation to reduce MPI_Allreduce calls
+    // check error information
+    {
+      int erh = ERROR;
+      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    }
+    if (ERROR)
+    {
+      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count 
+                                << " variables at t = " << PhysTime 
+                                << ", lev = " << lev << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
+    }
 
 #ifdef WithShell
     // evolve Shell Patches
@@ -4423,9 +4420,9 @@ void bssn_class::Step(int lev, int YN)
           {
 #if (AGM == 0)
             f_enforce_ga(cg->shape,
-                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn],
+                         cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn], 
                          cg->fgfs[gyy->sgfn], cg->fgfs[gyz->sgfn], cg->fgfs[gzz->sgfn],
-                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn],
+                         cg->fgfs[Axx->sgfn], cg->fgfs[Axy->sgfn], cg->fgfs[Axz->sgfn], 
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #elif (AGM == 1)
             if (iter_count == 3)
@@ -4545,16 +4542,25 @@ void bssn_class::Step(int lev, int YN)
         sPp = sPp->next;
       }
     }
-    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+    // check error information
-    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_cor);
+      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    }
+    if (ERROR)
+    {
+      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" << iter_count 
+                                << " variables at t = " << PhysTime << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
     }
 #endif
 
-    Parallel::AsyncSyncState async_cor;
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
-    Parallel::Sync_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
 
 #ifdef WithShell
     if (lev == 0)
@@ -4567,30 +4573,11 @@ void bssn_class::Step(int lev, int YN)
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used "
+        cout << " Shell stuff synchronization used " 
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
              << " seconds! " << endl;
       }
     }
-#endif
-    Parallel::Sync_finish(sync_cache_cor[lev], async_cor, SynchList_cor, Symmetry);
-
-#ifdef WithShell
-    // Complete non-blocking error reduction and check
-    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
-    if (ERROR)
-    {
-      Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
-      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count
-                                << " variables at t = " << PhysTime
-                                << ", lev = " << lev << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
 #endif
     // for black hole position
     if (BH_num > 0 && lev == GH->levels - 1)
@@ -4956,19 +4943,11 @@ void bssn_class::Step(int lev, int YN)
 
   //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Predictor rhs calculation");
 
-  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+  // check error information
-  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev], &err_req);
+    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev]);
   }
-
-  //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Predictor sync");
-
-  Parallel::Sync_cached(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev]);
-
-  // Complete non-blocking error reduction and check
-  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
   if (ERROR)
   {
     Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
@@ -4980,6 +4959,10 @@ void bssn_class::Step(int lev, int YN)
     }
   }
 
+  //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Predictor sync");
+
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
+
 #if (MAPBH == 0)
   // for black hole position
   if (BH_num > 0 && lev == GH->levels - 1)
@@ -5157,34 +5140,30 @@ void bssn_class::Step(int lev, int YN)
 
     //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector error check");
 
-    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
+    // check error information
-    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev], &err_req_cor);
+      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev]);
     }
-
-    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector sync");
-
-    Parallel::Sync_cached(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev]);
-
-    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Corrector sync");
-
-    // Complete non-blocking error reduction and check
-    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
     if (ERROR)
     {
       Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
         if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count
+          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count 
-                                << " variables at t = " << PhysTime
+                                << " variables at t = " << PhysTime 
                                 << ", lev = " << lev << endl;
         MPI_Abort(MPI_COMM_WORLD, 1);
       }
     }
 
+    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector sync");
+
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
+
+    //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Corrector sync");
+
 #if (MAPBH == 0)
     // for black hole position
     if (BH_num > 0 && lev == GH->levels - 1)
@@ -5468,11 +5447,21 @@ void bssn_class::SHStep()
 #if (PSTR == 1 || PSTR == 2)
 //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Predictor's error check");
 #endif
-  // Non-blocking error reduction overlapped with Synch to hide Allreduce latency
+  // check error information
-  MPI_Request err_req;
   {
     int erh = ERROR;
-    MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req);
+    MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+  }
+
+  if (ERROR)
+  {
+    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
+    if (myrank == 0)
+    {
+      if (ErrorMonitor->outfile)
+        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " << PhysTime << endl;
+      MPI_Abort(MPI_COMM_WORLD, 1);
+    }
   }
 
   {
@@ -5484,25 +5473,12 @@ void bssn_class::SHStep()
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used "
+      cout << " Shell stuff synchronization used " 
-           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
            << " seconds! " << endl;
     }
   }
 
-  // Complete non-blocking error reduction and check
-  MPI_Wait(&err_req, MPI_STATUS_IGNORE);
-  if (ERROR)
-  {
-    SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
-    if (myrank == 0)
-    {
-      if (ErrorMonitor->outfile)
-        ErrorMonitor->outfile << "find NaN in state variables on Shell Patches at t = " << PhysTime << endl;
-      MPI_Abort(MPI_COMM_WORLD, 1);
-    }
-  }
-
   // corrector
   for (iter_count = 1; iter_count < 4; iter_count++)
   {
@@ -5645,11 +5621,21 @@ void bssn_class::SHStep()
         sPp = sPp->next;
       }
     }
-    // Non-blocking error reduction overlapped with Synch to hide Allreduce latency
+    // check error information
-    MPI_Request err_req_cor;
     {
       int erh = ERROR;
-      MPI_Iallreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD, &err_req_cor);
+      MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+    }
+    if (ERROR)
+    {
+      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
+      if (myrank == 0)
+      {
+        if (ErrorMonitor->outfile)
+          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" << iter_count 
+                                << " variables at t = " << PhysTime << endl;
+        MPI_Abort(MPI_COMM_WORLD, 1);
+      }
     }
 
     {
@@ -5661,26 +5647,12 @@ void bssn_class::SHStep()
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used "
+        cout << " Shell stuff synchronization used " 
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
              << " seconds! " << endl;
       }
     }
 
-    // Complete non-blocking error reduction and check
-    MPI_Wait(&err_req_cor, MPI_STATUS_IGNORE);
-    if (ERROR)
-    {
-      SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
-      if (myrank == 0)
-      {
-        if (ErrorMonitor->outfile)
-          ErrorMonitor->outfile << "find NaN on Shell Patches in RK4 substep#" << iter_count
-                                << " variables at t = " << PhysTime << endl;
-        MPI_Abort(MPI_COMM_WORLD, 1);
-      }
-    }
-
     sPp = SH->PatL;
     while (sPp)
     {
@@ -5809,7 +5781,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 //       misc::tillherecheck(GH->Commlev[GH->mylev],GH->start_rank[GH->mylev],a_stream.str());
 #endif
 
-      Parallel::Sync_cached(GH->PatL[lev - 1], SynchList_pre, Symmetry, sync_cache_rp_coarse[lev]);
+      Parallel::Sync(GH->PatL[lev - 1], SynchList_pre, Symmetry);
 
 #if (PSTR == 1 || PSTR == 2)
 //       a_stream.clear();
@@ -5870,7 +5842,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 //       misc::tillherecheck(GH->Commlev[GH->mylev],GH->start_rank[GH->mylev],a_stream.str());
 #endif
 
-      Parallel::Sync_cached(GH->PatL[lev - 1], SL, Symmetry, sync_cache_rp_coarse[lev]);
+      Parallel::Sync(GH->PatL[lev - 1], SL, Symmetry);
 
 #if (PSTR == 1 || PSTR == 2)
 //       a_stream.clear();
@@ -5908,7 +5880,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB,
 #endif
     }
 
-    Parallel::Sync_cached(GH->PatL[lev], SL, Symmetry, sync_cache_rp_fine[lev]);
+    Parallel::Sync(GH->PatL[lev], SL, Symmetry);
 
 #if (PSTR == 1 || PSTR == 2)
 //    a_stream.clear();
@@ -5966,7 +5938,7 @@ void bssn_class::RestrictProlong_aux(int lev, int YN, bool BB,
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SL, SynchList_pre, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync_cached(GH->PatL[lev - 1], SynchList_pre, Symmetry, sync_cache_rp_coarse[lev]);
+      Parallel::Sync(GH->PatL[lev - 1], SynchList_pre, Symmetry);
 
 #if (RPB == 0)
       Ppc = GH->PatL[lev - 1];
@@ -5998,7 +5970,7 @@ void bssn_class::RestrictProlong_aux(int lev, int YN, bool BB,
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SL, SL, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync_cached(GH->PatL[lev - 1], SL, Symmetry, sync_cache_rp_coarse[lev]);
+      Parallel::Sync(GH->PatL[lev - 1], SL, Symmetry);
 
 #if (RPB == 0)
       Ppc = GH->PatL[lev - 1];
@@ -6022,7 +5994,7 @@ void bssn_class::RestrictProlong_aux(int lev, int YN, bool BB,
 #endif
     }
 
-    Parallel::Sync_cached(GH->PatL[lev], SL, Symmetry, sync_cache_rp_fine[lev]);
+    Parallel::Sync(GH->PatL[lev], SL, Symmetry);
   }
 }
 
@@ -6073,7 +6045,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB)
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_cor, SynchList_pre, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync_cached(GH->PatL[lev - 1], SynchList_pre, Symmetry, sync_cache_rp_coarse[lev]);
+      Parallel::Sync(GH->PatL[lev - 1], SynchList_pre, Symmetry);
 
 #if (RPB == 0)
       Ppc = GH->PatL[lev - 1];
@@ -6107,7 +6079,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB)
       Parallel::Restrict_bam(GH->PatL[lev - 1], GH->PatL[lev], SynchList_cor, StateList, GH->rsul[lev], Symmetry);
 #endif
 
-      Parallel::Sync_cached(GH->PatL[lev - 1], StateList, Symmetry, sync_cache_rp_coarse[lev]);
+      Parallel::Sync(GH->PatL[lev - 1], StateList, Symmetry);
 
 #if (RPB == 0)
       Ppc = GH->PatL[lev - 1];
@@ -6131,7 +6103,7 @@ void bssn_class::RestrictProlong(int lev, int YN, bool BB)
 #endif
     }
 
-    Parallel::Sync_cached(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_rp_fine[lev]);
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
   }
 }
 
@@ -6214,10 +6186,10 @@ void bssn_class::ProlongRestrict(int lev, int YN, bool BB)
 #else
       Parallel::Restrict_after(GH->PatL[lev - 1], GH->PatL[lev], SynchList_cor, StateList, Symmetry);
 #endif
-      Parallel::Sync_cached(GH->PatL[lev - 1], StateList, Symmetry, sync_cache_rp_coarse[lev]);
+      Parallel::Sync(GH->PatL[lev - 1], StateList, Symmetry);
     }
 
-    Parallel::Sync_cached(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_rp_fine[lev]);
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
   }
 }
 #undef MIXOUTB

AMSS_NCKU_source/bssn_class.h

@@ -19,11 +19,7 @@ using namespace std;
 #include <math.h>
 #endif
 
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "macrodef.h"
 #include "cgh.h"
@@ -130,11 +126,6 @@ public:
        MyList<var> *OldStateList, *DumpList;
        MyList<var> *ConstraintList;
 
-       Parallel::SyncCache *sync_cache_pre;  // per-level cache for predictor sync
-       Parallel::SyncCache *sync_cache_cor;  // per-level cache for corrector sync
-       Parallel::SyncCache *sync_cache_rp_coarse;  // RestrictProlong sync on PatL[lev-1]
-       Parallel::SyncCache *sync_cache_rp_fine;    // RestrictProlong sync on PatL[lev]
-
        monitor *ErrorMonitor, *Psi4Monitor, *BHMonitor, *MAPMonitor;
        monitor *ConVMonitor;
        surface_integral *Waveshell;

AMSS_NCKU_source/bssn_gpu.cu

@@ -18,7 +18,7 @@ using namespace std;
 #include <fstream>
 #endif
 
-void compare_result_gpu(int ftag1,double * datac,int data_num){
+static void compare_result_gpu(int ftag1,double * datac,int data_num){
 	double * data = (double*)malloc(sizeof(double)*data_num);
 	cudaMemcpy(data, datac, data_num * sizeof(double), cudaMemcpyDeviceToHost);
 	compare_result(ftag1,data,data_num);
@@ -83,7 +83,7 @@ inline void sub_enforce_ga(int matrix_size){
 	double * trA = M_ chin1;
 	enforce_ga<<<GRID_DIM,BLOCK_DIM>>>(trA);
 	cudaMemset(trA,0,matrix_size * sizeof(double));
-	cudaThreadSynchronize(); 
+	cudaDeviceSynchronize(); 
 	
 	//cudaMemset(Mh_ gupxx,0,matrix_size * sizeof(double));
 	//trA gxx,gyy,gzz gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
@@ -273,13 +273,13 @@ __global__ void sub_symmetry_bd_partK(int ord,double * func, double * funcc,doub
 #endif //ifdef Vertex
 inline void sub_symmetry_bd(int ord,double * func, double * funcc,double * SoA){
 	sub_symmetry_bd_partF<<<GRID_DIM,BLOCK_DIM>>>(ord,func,funcc);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	sub_symmetry_bd_partI<<<GRID_DIM,BLOCK_DIM>>>(ord,func,funcc,SoA[0]);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	sub_symmetry_bd_partJ<<<GRID_DIM,BLOCK_DIM>>>(ord,func,funcc,SoA[1]);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	sub_symmetry_bd_partK<<<GRID_DIM,BLOCK_DIM>>>(ord,func,funcc,SoA[2]);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 }
 
 
@@ -378,9 +378,9 @@ inline void sub_fdderivs(double * f,double *fh,double *fxx,double *fxy,double *f
 	cudaMemset(fyy,0,_3D_SIZE[0] * sizeof(double));
 	cudaMemset(fyz,0,_3D_SIZE[0] * sizeof(double));
 	cudaMemset(fzz,0,_3D_SIZE[0] * sizeof(double));
-	cudaThreadSynchronize(); 
+	cudaDeviceSynchronize(); 
 	sub_fdderivs_part1<<<GRID_DIM,BLOCK_DIM>>>(f,fh,fxx,fxy,fxz,fyy,fyz,fzz);
-	cudaThreadSynchronize(); 
+	cudaDeviceSynchronize(); 
 }
 
 __global__ void sub_fderivs_part1(double * f,double * fh,double *fx,double *fy,double *fz  )
@@ -445,9 +445,9 @@ inline void sub_fderivs(double * f,double * fh,double *fx,double *fy,double *fz,
 	cudaMemset(fy,0,_3D_SIZE[0] * sizeof(double));
 	cudaMemset(fz,0,_3D_SIZE[0] * sizeof(double));
 	
-	cudaThreadSynchronize(); 
+	cudaDeviceSynchronize(); 
 	sub_fderivs_part1<<<GRID_DIM,BLOCK_DIM>>>(f,fh,fx,fy,fz);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 }
 
 __global__ void computeRicci_part1(double * dst)
@@ -465,9 +465,9 @@ __global__ void computeRicci_part1(double * dst)
  inline void computeRicci(double * src,double* dst,double * SoA, Meta* meta)
 {
 	sub_fdderivs(src,Mh_ fh,Mh_ fxx,Mh_ fxy,Mh_ fxz,Mh_ fyy,Mh_ fyz,Mh_ fzz,SoA);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	computeRicci_part1<<<GRID_DIM,BLOCK_DIM>>>(dst);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 }/*Exception*/
 
@@ -524,9 +524,9 @@ __global__ void sub_kodis_part1(double *f,double *fh,double *f_rhs)
 inline void sub_kodis(double *f,double *fh,double *f_rhs,double *SoA)
 {
 	sub_symmetry_bd(3,f,fh,SoA);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	sub_kodis_part1<<<GRID_DIM,BLOCK_DIM>>>(f,fh,f_rhs);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 }
  
 __global__ void  sub_lopsided_part1(double *f,double* fh,double *f_rhs,double *Sfx,double *Sfy,double *Sfz)
@@ -617,9 +617,9 @@ __global__ void  sub_lopsided_part1(double *f,double* fh,double *f_rhs,double *S
 
 inline void  sub_lopsided(double *f,double*fh,double *f_rhs,double *Sfx,double *Sfy,double *Sfz,double *SoA){
 	sub_symmetry_bd(3,f,fh,SoA);
-	cudaThreadSynchronize(); 
+	cudaDeviceSynchronize(); 
 	sub_lopsided_part1<<<GRID_DIM,BLOCK_DIM>>>(f,fh,f_rhs,Sfx,Sfy,Sfz);
-	cudaThreadSynchronize(); 
+	cudaDeviceSynchronize(); 
 }
 
 __global__ void compute_rhs_bssn_part1() 
@@ -2656,13 +2656,13 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 
 
 #ifdef TIMING1
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	gettimeofday(&tv2, NULL);
    	cout<<"TIME USED"<<TimeBetween(tv1, tv2)<<endl; 
 #endif	
 	//cout<<"GPU meta data ready.\n";
 	
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 
 //--------------test constant memory address & value--------------
 /*	double rank = mpi_rank;
@@ -2685,7 +2685,7 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 	//sub_enforce_ga(matrix_size);
 	//4.1-----compute rhs---------
 	compute_rhs_bssn_part1<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 
 	sub_fderivs(Mh_ betax,Mh_ fh,Mh_ betaxx,Mh_ betaxy,Mh_ betaxz,ass);
 	sub_fderivs(Mh_ betay,Mh_ fh,Mh_ betayx,Mh_ betayy,Mh_ betayz,sas);
@@ -2701,7 +2701,7 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 	sub_fderivs(Mh_ gyz,Mh_ fh,Mh_ gyzx,Mh_ gyzy,Mh_ gyzz, saa);
   	
   	compute_rhs_bssn_part2<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	sub_fdderivs(Mh_ betax,Mh_ fh,Mh_ gxxx,Mh_ gxyx,Mh_ gxzx,Mh_ gyyx,Mh_ gyzx,Mh_ gzzx,ass);
 	sub_fdderivs(Mh_ betay,Mh_ fh,Mh_ gxxy,Mh_ gxyy,Mh_ gxzy,Mh_ gyyy,Mh_ gyzy,Mh_ gzzy,sas);
@@ -2711,7 +2711,7 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 	sub_fderivs( Mh_ Gamz, Mh_ fh,Mh_ Gamzx, Mh_ Gamzy, Mh_ Gamzz,ssa);
 	
 	compute_rhs_bssn_part3<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	computeRicci(Mh_ dxx,Mh_ Rxx,sss, meta);
 	computeRicci(Mh_ dyy,Mh_ Ryy,sss, meta);
@@ -2720,20 +2720,20 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 	computeRicci(Mh_ gxz,Mh_ Rxz,asa, meta);
 	computeRicci(Mh_ gyz,Mh_ Ryz,saa, meta);
 	
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	compute_rhs_bssn_part4<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	sub_fdderivs(Mh_ chi,Mh_ fh,Mh_ fxx,Mh_ fxy,Mh_ fxz,Mh_ fyy,Mh_ fyz,Mh_ fzz,sss);
 	
 	compute_rhs_bssn_part5<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	sub_fdderivs(Mh_ Lap,Mh_ fh,Mh_ fxx,Mh_ fxy,Mh_ fxz,Mh_ fyy,Mh_ fyz,Mh_ fzz,sss);
 	
 	compute_rhs_bssn_part6<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 #if (GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5)
 	sub_fderivs(Mh_ chi,Mh_ fh, Mh_ dtSfx_rhs, Mh_ dtSfy_rhs, Mh_ dtSfz_rhs,sss);
@@ -2805,7 +2805,7 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 	
 	if(co == 0){
 		compute_rhs_bssn_part7<<<GRID_DIM,BLOCK_DIM>>>();
-		cudaThreadSynchronize();
+		cudaDeviceSynchronize();
 
 		sub_fderivs(Mh_ Axx,Mh_ fh,Mh_ gxxx,Mh_ gxxy,Mh_ gxxz,sss);
 		sub_fderivs(Mh_ Axy,Mh_ fh,Mh_ gxyx,Mh_ gxyy,Mh_ gxyz,aas);
@@ -2814,7 +2814,7 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 		sub_fderivs(Mh_ Ayz,Mh_ fh,Mh_ gyzx,Mh_ gyzy,Mh_ gyzz,saa);
 		sub_fderivs(Mh_ Azz,Mh_ fh,Mh_ gzzx,Mh_ gzzy,Mh_ gzzz,sss);
 		compute_rhs_bssn_part8<<<GRID_DIM,BLOCK_DIM>>>();
-		cudaThreadSynchronize();
+		cudaDeviceSynchronize();
 	}
 
 #if (ABV == 1)
@@ -2895,7 +2895,7 @@ int gpu_rhs(int calledby, int mpi_rank, int *ex, double &T,double *X, double *Y,
 //-------------------FOR GPU TEST----------------------
 //-----------------------------------------------------
 #ifdef TIMING
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	gettimeofday(&tv2, NULL);
    	cout<<"MPI rank is: "<<mpi_rank<<" GPU TIME is"<<TimeBetween(tv1, tv2)<<" (s)."<<endl; 
 #endif

AMSS_NCKU_source/bssn_gpu.h

@@ -4,6 +4,17 @@
 #include "bssn_macro.h"
 #include "macrodef.fh"
 
+// CUDA error checking macro for CUDA 13 compatibility
+#define CUDA_SAFE_CALL(call) \
+    do { \
+        cudaError_t err = call; \
+        if (err != cudaSuccess) { \
+            fprintf(stderr, "CUDA error in %s:%d: %s\n", __FILE__, __LINE__, \
+                    cudaGetErrorString(err)); \
+            exit(EXIT_FAILURE); \
+        } \
+    } while(0)
+
 #define DEVICE_ID 0
 // #define DEVICE_ID_BY_MPI_RANK
 #define GRID_DIM 256

AMSS_NCKU_source/bssn_gpu_class.h

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

AMSS_NCKU_source/bssn_gpu_rhs_ss.cu

@@ -20,7 +20,7 @@ using namespace std;
 
 __device__ volatile unsigned int global_count = 0;
 
-void compare_result_gpu(int ftag1,double * datac,int data_num){
+static void compare_result_gpu(int ftag1,double * datac,int data_num){
 	double * data = (double*)malloc(sizeof(double)*data_num);
 	cudaMemcpy(data, datac, data_num * sizeof(double), cudaMemcpyDeviceToHost);
 	compare_result(ftag1,data,data_num);
@@ -153,11 +153,11 @@ __global__ void sub_symmetry_bd_ss_partJ(int ord,double * func, double * funcc,d
 
 inline void sub_symmetry_bd_ss(int ord,double * func, double * funcc,double * SoA){
 	sub_symmetry_bd_ss_partF<<<GRID_DIM,BLOCK_DIM>>>(ord,func,funcc);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	sub_symmetry_bd_ss_partI<<<GRID_DIM,BLOCK_DIM>>>(ord,func,funcc,SoA[0]);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	sub_symmetry_bd_ss_partJ<<<GRID_DIM,BLOCK_DIM>>>(ord,func,funcc,SoA[1]);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 }
 
 __global__ void sub_fderivs_shc_part1(double *fx,double *fy,double *fz){
@@ -247,13 +247,13 @@ inline void sub_fderivs_shc(int& sst,double * f,double * fh,double *fx,double *f
 	//cudaMemset(Msh_ gy,0,h_3D_SIZE[0] * sizeof(double));
 	//cudaMemset(Msh_ gz,0,h_3D_SIZE[0] * sizeof(double));
 	sub_symmetry_bd_ss(2,f,fh,SoA1);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			//compare_result_gpu(0,fh,h_3D_SIZE[2]);	
 	sub_fderivs_sh<<<GRID_DIM,BLOCK_DIM>>>(fh,Msh_ gx,Msh_ gy,Msh_ gz);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	sub_fderivs_shc_part1<<<GRID_DIM,BLOCK_DIM>>>(fx,fy,fz);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			//compare_result_gpu(1,fx,h_3D_SIZE[0]);
 			//compare_result_gpu(2,fy,h_3D_SIZE[0]);
 			//compare_result_gpu(3,fz,h_3D_SIZE[0]);
@@ -451,17 +451,17 @@ inline void sub_fdderivs_shc(int& sst,double * f,double * fh,
 	
 	//fderivs_sh
 	sub_symmetry_bd_ss(2,f,fh,SoA1);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			//compare_result_gpu(1,fh,h_3D_SIZE[2]);	
 	sub_fderivs_sh<<<GRID_DIM,BLOCK_DIM>>>(fh,Msh_ gx,Msh_ gy,Msh_ gz);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	//fdderivs_sh
 	sub_symmetry_bd_ss(2,f,fh,SoA1);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			//compare_result_gpu(21,fh,h_3D_SIZE[2]);
 	sub_fdderivs_sh<<<GRID_DIM,BLOCK_DIM>>>(fh,Msh_ gxx,Msh_ gxy,Msh_ gxz,Msh_ gyy,Msh_ gyz,Msh_ gzz);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			/*compare_result_gpu(11,Msh_ gx,h_3D_SIZE[0]);
 			compare_result_gpu(12,Msh_ gy,h_3D_SIZE[0]);
 			compare_result_gpu(13,Msh_ gz,h_3D_SIZE[0]);
@@ -472,7 +472,7 @@ inline void sub_fdderivs_shc(int& sst,double * f,double * fh,
 			compare_result_gpu(5,Msh_ gyz,h_3D_SIZE[0]);
 			compare_result_gpu(6,Msh_ gzz,h_3D_SIZE[0]);*/
 	sub_fdderivs_shc_part1<<<GRID_DIM,BLOCK_DIM>>>(fxx,fxy,fxz,fyy,fyz,fzz);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			/*compare_result_gpu(1,fxx,h_3D_SIZE[0]);
 			compare_result_gpu(2,fxy,h_3D_SIZE[0]);
 			compare_result_gpu(3,fxz,h_3D_SIZE[0]);
@@ -496,9 +496,9 @@ __global__ void computeRicci_ss_part1(double * dst)
  inline void computeRicci_ss(int &sst,double * src,double* dst,double * SoA, Meta* meta)
 {
 	sub_fdderivs_shc(sst,src,Mh_ fh,Mh_ fxx,Mh_ fxy,Mh_ fxz,Mh_ fyy,Mh_ fyz,Mh_ fzz,SoA);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	computeRicci_ss_part1<<<GRID_DIM,BLOCK_DIM>>>(dst);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 }
 __global__ void sub_lopsided_ss_part1(double * dst)
@@ -516,9 +516,9 @@ __global__ void sub_lopsided_ss_part1(double * dst)
 inline void sub_lopsided_ss(int& sst,double *src,double* dst,double *SoA)
 {
 		sub_fderivs_shc(sst,src,Mh_ fh,Mh_ fxx,Mh_ fxy,Mh_ fxz,SoA);
-		cudaThreadSynchronize();
+		cudaDeviceSynchronize();
 		sub_lopsided_ss_part1<<<GRID_DIM,BLOCK_DIM>>>(dst);
-		cudaThreadSynchronize();
+		cudaDeviceSynchronize();
 }
 
 __global__ void sub_kodis_sh_part1(double *f,double *fh,double *f_rhs)
@@ -590,11 +590,11 @@ inline void sub_kodis_ss(int &sst,double *f,double *fh,double *f_rhs,double *SoA
 	}
 			//compare_result_gpu(10,f,h_3D_SIZE[0]);
 	sub_symmetry_bd_ss(3,f,fh,SoA1);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			//compare_result_gpu(0,fh,h_3D_SIZE[3]);
 			
 	sub_kodis_sh_part1<<<GRID_DIM,BLOCK_DIM>>>(f,fh,f_rhs);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 			//compare_result_gpu(1,f_rhs,h_3D_SIZE[0]);
 }
 
@@ -2287,13 +2287,13 @@ int gpu_rhs_ss(RHS_SS_PARA)
 
 
 #ifdef TIMING1
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	gettimeofday(&tv2, NULL);
    	cout<<"TIME USED"<<TimeBetween(tv1, tv2)<<endl; 
 #endif	
 	//cout<<"GPU meta data ready.\n";
 	
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 
 
 //-------------get device info-------------------------------------
@@ -2306,7 +2306,7 @@ int gpu_rhs_ss(RHS_SS_PARA)
 	//sub_enforce_ga(matrix_size);
 	//4.1-----compute rhs---------
 	compute_rhs_ss_part1<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 
 	sub_fderivs_shc(sst,Mh_ betax,Mh_ fh,Mh_ betaxx,Mh_ betaxy,Mh_ betaxz,ass);
 	sub_fderivs_shc(sst,Mh_ betay,Mh_ fh,Mh_ betayx,Mh_ betayy,Mh_ betayz,sas);
@@ -2322,7 +2322,7 @@ int gpu_rhs_ss(RHS_SS_PARA)
 	sub_fderivs_shc(sst,Mh_ gyz,Mh_ fh,Mh_ gyzx,Mh_ gyzy,Mh_ gyzz, saa);
 	
 	compute_rhs_ss_part2<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	sub_fdderivs_shc(sst,Mh_ betax,Mh_ fh,Mh_ gxxx,Mh_ gxyx,Mh_ gxzx,Mh_ gyyx,Mh_ gyzx,Mh_ gzzx,ass);
 	sub_fdderivs_shc(sst,Mh_ betay,Mh_ fh,Mh_ gxxy,Mh_ gxyy,Mh_ gxzy,Mh_ gyyy,Mh_ gyzy,Mh_ gzzy,sas);
@@ -2332,7 +2332,7 @@ int gpu_rhs_ss(RHS_SS_PARA)
 	sub_fderivs_shc( sst,Mh_ Gamz, Mh_ fh,Mh_ Gamzx, Mh_ Gamzy, Mh_ Gamzz,ssa);
 	
 	compute_rhs_ss_part3<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	computeRicci_ss(sst,Mh_ dxx,Mh_ Rxx,sss, meta);
 	computeRicci_ss(sst,Mh_ dyy,Mh_ Ryy,sss, meta);
@@ -2340,25 +2340,25 @@ int gpu_rhs_ss(RHS_SS_PARA)
 	computeRicci_ss(sst,Mh_ gxy,Mh_ Rxy,aas, meta);
 	computeRicci_ss(sst,Mh_ gxz,Mh_ Rxz,asa, meta);
 	computeRicci_ss(sst,Mh_ gyz,Mh_ Ryz,saa, meta);
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	compute_rhs_ss_part4<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	sub_fdderivs_shc(sst,Mh_ chi,Mh_ fh,Mh_ fxx,Mh_ fxy,Mh_ fxz,Mh_ fyy,Mh_ fyz,Mh_ fzz,sss);
 	
-	//cudaThreadSynchronize();
+	//cudaDeviceSynchronize();
 	//compare_result_gpu(0,Mh_ chi,h_3D_SIZE[0]);
 	//compare_result_gpu(1,Mh_ chi,h_3D_SIZE[0]);
 	//compare_result_gpu(2,Mh_ fyz,h_3D_SIZE[0]);
 	
 	compute_rhs_ss_part5<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 	sub_fdderivs_shc(sst,Mh_ Lap,Mh_ fh,Mh_ fxx,Mh_ fxy,Mh_ fxz,Mh_ fyy,Mh_ fyz,Mh_ fzz,sss);
 	
 	compute_rhs_ss_part6<<<GRID_DIM,BLOCK_DIM>>>();
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	
 #if (GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5)
 	sub_fderivs_shc(sst,Mh_ chi,Mh_ fh, Mh_ dtSfx_rhs, Mh_ dtSfy_rhs, Mh_ dtSfz_rhs,sss);
@@ -2423,7 +2423,7 @@ int gpu_rhs_ss(RHS_SS_PARA)
 	}
 	if(co == 0){
 		compute_rhs_ss_part7<<<GRID_DIM,BLOCK_DIM>>>();
-		cudaThreadSynchronize();
+		cudaDeviceSynchronize();
 
 		sub_fderivs_shc(sst,Mh_ Axx,Mh_ fh,Mh_ gxxx,Mh_ gxxy,Mh_ gxxz,sss);
 		sub_fderivs_shc(sst,Mh_ Axy,Mh_ fh,Mh_ gxyx,Mh_ gxyy,Mh_ gxyz,aas);
@@ -2432,7 +2432,7 @@ int gpu_rhs_ss(RHS_SS_PARA)
 		sub_fderivs_shc(sst,Mh_ Ayz,Mh_ fh,Mh_ gyzx,Mh_ gyzy,Mh_ gyzz,saa);
 		sub_fderivs_shc(sst,Mh_ Azz,Mh_ fh,Mh_ gzzx,Mh_ gzzy,Mh_ gzzz,sss);
 		compute_rhs_ss_part8<<<GRID_DIM,BLOCK_DIM>>>();
-		cudaThreadSynchronize();
+		cudaDeviceSynchronize();
 	}
 	
 #if (ABV == 1)
@@ -2512,7 +2512,7 @@ int gpu_rhs_ss(RHS_SS_PARA)
 	//test kodis
 	//sub_kodis_sh(sst,Msh_ drhodx,Mh_ fh2,Msh_ drhody,sss);
 #ifdef TIMING
-	cudaThreadSynchronize();
+	cudaDeviceSynchronize();
 	gettimeofday(&tv2, NULL);
    	cout<<"MPI rank is: "<<mpi_rank<<" GPU TIME is"<<TimeBetween(tv1, tv2)<<" (s)."<<endl; 
 #endif

AMSS_NCKU_source/bssn_rhs.f90

@@ -106,8 +106,7 @@
   call getpbh(BHN,Porg,Mass)
 #endif
 
-!!! sanity check (disabled in production builds for performance)
+!!! sanity check
-#ifdef DEBUG
   dX = sum(chi)+sum(trK)+sum(dxx)+sum(gxy)+sum(gxz)+sum(dyy)+sum(gyz)+sum(dzz) &
       +sum(Axx)+sum(Axy)+sum(Axz)+sum(Ayy)+sum(Ayz)+sum(Azz)                   &
       +sum(Gamx)+sum(Gamy)+sum(Gamz)                                           &
@@ -137,7 +136,6 @@
      gont = 1
      return
   endif
-#endif
 
   PI = dacos(-ONE)
 

AMSS_NCKU_source/bssn_step_gpu.C

@@ -1676,8 +1676,11 @@ void bssn_class::Step_GPU(int lev, int YN)
 #endif // PSTR == ?
 
 //--------------------------With Shell--------------------------
+// Note: SHStep() implementation is in bssn_gpu_class.C
 
 #ifdef WithShell
+#if 0
+// This SHStep() implementation has been moved to bssn_gpu_class.C to avoid duplicate definition
 void bssn_class::SHStep()
 {
   int lev = 0;
@@ -1938,5 +1941,5 @@ void bssn_class::SHStep()
     sPp = sPp->next;
   }
 }
-d
+#endif // #if 0
 #endif // withshell

AMSS_NCKU_source/cgh.C

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

AMSS_NCKU_source/cgh.h

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

AMSS_NCKU_source/checkpoint.h

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

AMSS_NCKU_source/diff_new.f90

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

AMSS_NCKU_source/diff_new_sh.f90

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

AMSS_NCKU_source/enforce_algebra.f90

@@ -18,62 +18,49 @@
   real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
 
 !~~~~~~~> Local variable:
-
+  
-  integer :: i,j,k
+  real*8, dimension(ex(1),ex(2),ex(3)) :: trA,detg
-  real*8 :: lgxx,lgyy,lgzz,ldetg
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz 
-  real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
-  real*8 :: ltrA,lscale
   real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
 
 !~~~~~~>
 
-  !$omp parallel do collapse(2) private(i,j,k,lgxx,lgyy,lgzz,ldetg,lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz,ltrA,lscale)
+  gxx = dxx + ONE
-  do k=1,ex(3)
+  gyy = dyy + ONE
-  do j=1,ex(2)
+  gzz = dzz + ONE
-  do i=1,ex(1)
 
-    lgxx = dxx(i,j,k) + ONE
+  detg =  gxx * gyy * gzz + gxy * gyz * gxz + gxz * gxy * gyz - &
-    lgyy = dyy(i,j,k) + ONE
+          gxz * gyy * gxz - gxy * gxy * gzz - gxx * gyz * gyz
-    lgzz = dzz(i,j,k) + ONE
+  gupxx =   ( gyy * gzz - gyz * gyz ) / detg
+  gupxy = - ( gxy * gzz - gyz * gxz ) / detg
+  gupxz =   ( gxy * gyz - gyy * gxz ) / detg
+  gupyy =   ( gxx * gzz - gxz * gxz ) / detg
+  gupyz = - ( gxx * gyz - gxy * gxz ) / detg
+  gupzz =   ( gxx * gyy - gxy * gxy ) / detg
 
-    ldetg =  lgxx * lgyy * lgzz &
+  trA =         gupxx * Axx + gupyy * Ayy + gupzz * Azz &
-           + gxy(i,j,k) * gyz(i,j,k) * gxz(i,j,k) &
+       + TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
-           + gxz(i,j,k) * gxy(i,j,k) * gyz(i,j,k) &
-           - gxz(i,j,k) * lgyy * gxz(i,j,k) &
-           - gxy(i,j,k) * gxy(i,j,k) * lgzz &
-           - lgxx * gyz(i,j,k) * gyz(i,j,k)
 
-    lgupxx =   ( lgyy * lgzz - gyz(i,j,k) * gyz(i,j,k) ) / ldetg
+  Axx = Axx - F1o3 * gxx * trA
-    lgupxy = - ( gxy(i,j,k) * lgzz - gyz(i,j,k) * gxz(i,j,k) ) / ldetg
+  Axy = Axy - F1o3 * gxy * trA
-    lgupxz =   ( gxy(i,j,k) * gyz(i,j,k) - lgyy * gxz(i,j,k) ) / ldetg
+  Axz = Axz - F1o3 * gxz * trA
-    lgupyy =   ( lgxx * lgzz - gxz(i,j,k) * gxz(i,j,k) ) / ldetg
+  Ayy = Ayy - F1o3 * gyy * trA
-    lgupyz = - ( lgxx * gyz(i,j,k) - gxy(i,j,k) * gxz(i,j,k) ) / ldetg
+  Ayz = Ayz - F1o3 * gyz * trA
-    lgupzz =   ( lgxx * lgyy - gxy(i,j,k) * gxy(i,j,k) ) / ldetg
+  Azz = Azz - F1o3 * gzz * trA
 
-    ltrA =         lgupxx * Axx(i,j,k) + lgupyy * Ayy(i,j,k) &
+  detg = ONE / ( detg ** F1o3 ) 
-                 + lgupzz * Azz(i,j,k) &
+  
-         + TWO * (lgupxy * Axy(i,j,k) + lgupxz * Axz(i,j,k) &
+  gxx = gxx * detg
-                 + lgupyz * Ayz(i,j,k))
+  gxy = gxy * detg
+  gxz = gxz * detg
+  gyy = gyy * detg
+  gyz = gyz * detg
+  gzz = gzz * detg
 
-    Axx(i,j,k) = Axx(i,j,k) - F1o3 * lgxx * ltrA
+  dxx = gxx - ONE
-    Axy(i,j,k) = Axy(i,j,k) - F1o3 * gxy(i,j,k) * ltrA
+  dyy = gyy - ONE
-    Axz(i,j,k) = Axz(i,j,k) - F1o3 * gxz(i,j,k) * ltrA
+  dzz = gzz - ONE
-    Ayy(i,j,k) = Ayy(i,j,k) - F1o3 * lgyy * ltrA
-    Ayz(i,j,k) = Ayz(i,j,k) - F1o3 * gyz(i,j,k) * ltrA
-    Azz(i,j,k) = Azz(i,j,k) - F1o3 * lgzz * ltrA
-
-    lscale = ONE / ( ldetg ** F1o3 )
-
-    dxx(i,j,k) = lgxx * lscale - ONE
-    gxy(i,j,k) = gxy(i,j,k) * lscale
-    gxz(i,j,k) = gxz(i,j,k) * lscale
-    dyy(i,j,k) = lgyy * lscale - ONE
-    gyz(i,j,k) = gyz(i,j,k) * lscale
-    dzz(i,j,k) = lgzz * lscale - ONE
-
-  enddo
-  enddo
-  enddo
 
   return
 
@@ -95,72 +82,51 @@
   real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
 
 !~~~~~~~> Local variable:
-
+  
-  integer :: i,j,k
+  real*8, dimension(ex(1),ex(2),ex(3)) :: trA
-  real*8 :: lgxx,lgyy,lgzz,lscale
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz 
-  real*8 :: lgxy,lgxz,lgyz
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
-  real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
-  real*8 :: ltrA
   real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
 
 !~~~~~~>
 
-  !$omp parallel do collapse(2) private(i,j,k,lgxx,lgyy,lgzz,lscale,lgxy,lgxz,lgyz,lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz,ltrA)
+  gxx = dxx + ONE
-  do k=1,ex(3)
+  gyy = dyy + ONE
-  do j=1,ex(2)
+  gzz = dzz + ONE
-  do i=1,ex(1)
+! for g
+  gupzz =  gxx * gyy * gzz + gxy * gyz * gxz + gxz * gxy * gyz - &
+           gxz * gyy * gxz - gxy * gxy * gzz - gxx * gyz * gyz
 
-! for g: normalize determinant first
+  gupzz = ONE / ( gupzz ** F1o3 ) 
-    lgxx = dxx(i,j,k) + ONE
+  
-    lgyy = dyy(i,j,k) + ONE
+  gxx = gxx * gupzz
-    lgzz = dzz(i,j,k) + ONE
+  gxy = gxy * gupzz
-    lgxy = gxy(i,j,k)
+  gxz = gxz * gupzz
-    lgxz = gxz(i,j,k)
+  gyy = gyy * gupzz
-    lgyz = gyz(i,j,k)
+  gyz = gyz * gupzz
+  gzz = gzz * gupzz
 
-    lscale =  lgxx * lgyy * lgzz + lgxy * lgyz * lgxz &
+  dxx = gxx - ONE
-            + lgxz * lgxy * lgyz - lgxz * lgyy * lgxz &
+  dyy = gyy - ONE
-            - lgxy * lgxy * lgzz - lgxx * lgyz * lgyz
+  dzz = gzz - ONE
+! for A  
 
-    lscale = ONE / ( lscale ** F1o3 )
+  gupxx =   ( gyy * gzz - gyz * gyz )
+  gupxy = - ( gxy * gzz - gyz * gxz )
+  gupxz =   ( gxy * gyz - gyy * gxz )
+  gupyy =   ( gxx * gzz - gxz * gxz )
+  gupyz = - ( gxx * gyz - gxy * gxz )
+  gupzz =   ( gxx * gyy - gxy * gxy )
 
-    lgxx = lgxx * lscale
+  trA =         gupxx * Axx + gupyy * Ayy + gupzz * Azz &
-    lgxy = lgxy * lscale
+       + TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
-    lgxz = lgxz * lscale
-    lgyy = lgyy * lscale
-    lgyz = lgyz * lscale
-    lgzz = lgzz * lscale
 
-    dxx(i,j,k) = lgxx - ONE
+  Axx = Axx - F1o3 * gxx * trA
-    gxy(i,j,k) = lgxy
+  Axy = Axy - F1o3 * gxy * trA
-    gxz(i,j,k) = lgxz
+  Axz = Axz - F1o3 * gxz * trA
-    dyy(i,j,k) = lgyy - ONE
+  Ayy = Ayy - F1o3 * gyy * trA
-    gyz(i,j,k) = lgyz
+  Ayz = Ayz - F1o3 * gyz * trA
-    dzz(i,j,k) = lgzz - ONE
+  Azz = Azz - F1o3 * gzz * trA
-
-! for A: trace-free using normalized metric (det=1, no division needed)
-    lgupxx =   ( lgyy * lgzz - lgyz * lgyz )
-    lgupxy = - ( lgxy * lgzz - lgyz * lgxz )
-    lgupxz =   ( lgxy * lgyz - lgyy * lgxz )
-    lgupyy =   ( lgxx * lgzz - lgxz * lgxz )
-    lgupyz = - ( lgxx * lgyz - lgxy * lgxz )
-    lgupzz =   ( lgxx * lgyy - lgxy * lgxy )
-
-    ltrA =         lgupxx * Axx(i,j,k) + lgupyy * Ayy(i,j,k) &
-                 + lgupzz * Azz(i,j,k) &
-         + TWO * (lgupxy * Axy(i,j,k) + lgupxz * Axz(i,j,k) &
-                 + lgupyz * Ayz(i,j,k))
-
-    Axx(i,j,k) = Axx(i,j,k) - F1o3 * lgxx * ltrA
-    Axy(i,j,k) = Axy(i,j,k) - F1o3 * lgxy * ltrA
-    Axz(i,j,k) = Axz(i,j,k) - F1o3 * lgxz * ltrA
-    Ayy(i,j,k) = Ayy(i,j,k) - F1o3 * lgyy * ltrA
-    Ayz(i,j,k) = Ayz(i,j,k) - F1o3 * lgyz * ltrA
-    Azz(i,j,k) = Azz(i,j,k) - F1o3 * lgzz * ltrA
-
-  enddo
-  enddo
-  enddo
 
   return
 

AMSS_NCKU_source/expansion.C

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

AMSS_NCKU_source/find_horizons.C

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

AMSS_NCKU_source/fmisc.f90

@@ -324,6 +324,7 @@ subroutine symmetry_bd(ord,extc,func,funcc,SoA)
 
   integer::i
 
+  funcc = 0.d0
   funcc(1:extc(1),1:extc(2),1:extc(3)) = func
    do i=0,ord-1
       funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
@@ -349,6 +350,7 @@ subroutine symmetry_tbd(ord,extc,func,funcc,SoA)
 
   integer::i
 
+  funcc = 0.d0
   funcc(1:extc(1),1:extc(2),1:extc(3)) = func
    do i=0,ord-1
       funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
@@ -377,6 +379,7 @@ subroutine symmetry_stbd(ord,extc,func,funcc,SoA)
 
   integer::i
 
+  funcc = 0.d0
   funcc(1:extc(1),1:extc(2),1:extc(3)) = func
    do i=0,ord-1
       funcc(-i,1:extc(2),1:extc(3)) = funcc(i+2,1:extc(2),1:extc(3))*SoA(1)
@@ -883,6 +886,7 @@ subroutine symmetry_bd(ord,extc,func,funcc,SoA)
 
   integer::i
 
+  funcc = 0.d0
   funcc(1:extc(1),1:extc(2),1:extc(3)) = func
    do i=0,ord-1
       funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
@@ -908,6 +912,7 @@ subroutine symmetry_tbd(ord,extc,func,funcc,SoA)
 
   integer::i
 
+  funcc = 0.d0
   funcc(1:extc(1),1:extc(2),1:extc(3)) = func
    do i=0,ord-1
       funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
@@ -936,6 +941,7 @@ subroutine symmetry_stbd(ord,extc,func,funcc,SoA)
 
   integer::i
 
+  funcc = 0.d0
   funcc(1:extc(1),1:extc(2),1:extc(3)) = func
    do i=0,ord-1
       funcc(-i,1:extc(2),1:extc(3)) = funcc(i+1,1:extc(2),1:extc(3))*SoA(1)
@@ -1112,65 +1118,64 @@ end subroutine d2dump
 ! Lagrangian polynomial interpolation
 !------------------------------------------------------------------------------
 
-  subroutine polint(xa, ya, x, y, dy, ordn)
+  subroutine polint(xa,ya,x,y,dy,ordn)
+
   implicit none
 
-  integer, intent(in) :: ordn
+!~~~~~~> Input Parameter:
-  real*8, dimension(ordn), intent(in) :: xa, ya
+  integer,intent(in) :: ordn
+  real*8, dimension(ordn), intent(in) :: xa,ya
   real*8, intent(in) :: x
-  real*8, intent(out) :: y, dy
+  real*8, intent(out) :: y,dy
 
-  integer :: i, m, ns, n_m
+!~~~~~~> Other parameter:
-  real*8, dimension(ordn) :: c, d, ho
-  real*8 :: dif, dift, hp, h, den_val
 
-  c = ya
+  integer :: m,n,ns
-  d = ya
+  real*8, dimension(ordn) :: c,d,den,ho
-  ho = xa - x
+  real*8 :: dif,dift
 
-  ns = 1
+!~~~~~~>
-  dif = abs(x - xa(1))
 
-  do i = 2, ordn
+  n=ordn
-    dift = abs(x - xa(i))
+  m=ordn
-    if (dift < dif) then
+
-      ns = i
+  c=ya
-      dif = dift
+  d=ya
-    end if
+  ho=xa-x
+
+  ns=1
+  dif=abs(x-xa(1))
+  do m=1,n
+   dift=abs(x-xa(m))
+   if(dift < dif) then
+    ns=m
+    dif=dift
+   end if
   end do
 
-  y = ya(ns)
+  y=ya(ns)
-  ns = ns - 1
+  ns=ns-1
-
+  do m=1,n-1
-  do m = 1, ordn - 1
+    den(1:n-m)=ho(1:n-m)-ho(1+m:n)
-    n_m = ordn - m
+    if (any(den(1:n-m) == 0.0))then
-    do i = 1, n_m
+      write(*,*) 'failure in polint for point',x
-      hp = ho(i)
+      write(*,*) 'with input points: ',xa
-      h  = ho(i+m)
+      stop
-      den_val = hp - h
+    endif
-
+    den(1:n-m)=(c(2:n-m+1)-d(1:n-m))/den(1:n-m)
-      if (den_val == 0.0d0) then
+    d(1:n-m)=ho(1+m:n)*den(1:n-m)
-        write(*,*) 'failure in polint for point',x
+    c(1:n-m)=ho(1:n-m)*den(1:n-m)
-        write(*,*) 'with input points: ',xa
+    if (2*ns < n-m) then
-        stop
+      dy=c(ns+1)
-      end if
-
-      den_val = (c(i+1) - d(i)) / den_val
-
-      d(i) = h * den_val
-      c(i) = hp * den_val
-    end do
-
-    if (2 * ns < n_m) then
-      dy = c(ns + 1)
     else
-      dy = d(ns)
+      dy=d(ns)
-      ns = ns - 1
+      ns=ns-1
     end if
-    y = y + dy
+    y=y+dy
   end do
 
   return
+
   end subroutine polint
 !------------------------------------------------------------------------------
 !
@@ -1178,37 +1183,35 @@ end subroutine d2dump
 !
 !------------------------------------------------------------------------------
   subroutine polin2(x1a,x2a,ya,x1,x2,y,dy,ordn)
+
   implicit none
 
+!~~~~~~> Input parameters:
   integer,intent(in) :: ordn
   real*8, dimension(1:ordn), intent(in) :: x1a,x2a
   real*8, dimension(1:ordn,1:ordn), intent(in) :: ya
   real*8, intent(in) :: x1,x2
   real*8, intent(out) :: y,dy
 
-#ifdef POLINT_LEGACY_ORDER
+!~~~~~~> Other parameters:
+
   integer  :: i,m
   real*8, dimension(ordn) :: ymtmp
   real*8, dimension(ordn) :: yntmp
 
   m=size(x1a)
+  
   do i=1,m
+
     yntmp=ya(i,:)
     call polint(x2a,yntmp,x2,ymtmp(i),dy,ordn)
-  end do
-  call polint(x1a,ymtmp,x1,y,dy,ordn)
-#else
-  integer  :: j
-  real*8, dimension(ordn) :: ymtmp
-  real*8 :: dy_temp
 
-  do j=1,ordn
-    call polint(x1a, ya(:,j), x1, ymtmp(j), dy_temp, ordn)
   end do
-  call polint(x2a, ymtmp, x2, y, dy, ordn)
+
-#endif
+  call polint(x1a,ymtmp,x1,y,dy,ordn)
 
   return
+
   end subroutine polin2
 !------------------------------------------------------------------------------
 !
@@ -1216,15 +1219,18 @@ end subroutine d2dump
 !
 !------------------------------------------------------------------------------
   subroutine polin3(x1a,x2a,x3a,ya,x1,x2,x3,y,dy,ordn)
+
   implicit none
 
+!~~~~~~> Input parameters:
   integer,intent(in) :: ordn
   real*8, dimension(1:ordn), intent(in) :: x1a,x2a,x3a
   real*8, dimension(1:ordn,1:ordn,1:ordn), intent(in) :: ya
   real*8, intent(in) :: x1,x2,x3
   real*8, intent(out) :: y,dy
 
-#ifdef POLINT_LEGACY_ORDER
+!~~~~~~> Other parameters:
+
   integer  :: i,j,m,n
   real*8, dimension(ordn,ordn) :: yatmp
   real*8, dimension(ordn) :: ymtmp
@@ -1233,36 +1239,27 @@ end subroutine d2dump
 
   m=size(x1a)
   n=size(x2a)
+  
   do i=1,m
    do j=1,n
+
     yqtmp=ya(i,j,:)
     call polint(x3a,yqtmp,x3,yatmp(i,j),dy,ordn)
+
    end do
+
     yntmp=yatmp(i,:)
     call polint(x2a,yntmp,x2,ymtmp(i),dy,ordn)
-  end do
-  call polint(x1a,ymtmp,x1,y,dy,ordn)
-#else
-  integer  :: j, k
-  real*8, dimension(ordn,ordn) :: yatmp
-  real*8, dimension(ordn) :: ymtmp
-  real*8 :: dy_temp
 
-  do k=1,ordn
-    do j=1,ordn
-      call polint(x1a, ya(:,j,k), x1, yatmp(j,k), dy_temp, ordn)
-    end do
   end do
-  do k=1,ordn
+
-    call polint(x2a, yatmp(:,k), x2, ymtmp(k), dy_temp, ordn)
+  call polint(x1a,ymtmp,x1,y,dy,ordn)
-  end do
-  call polint(x3a, ymtmp, x3, y, dy, ordn)
-#endif
 
   return
+
   end subroutine polin3
 !--------------------------------------------------------------------------------------
-! calculate L2norm
+! calculate L2norm  
   subroutine l2normhelper(ex, X, Y, Z,xmin,ymin,zmin,xmax,ymax,zmax,&
                           f,f_out,gw)
 
@@ -1279,9 +1276,7 @@ end subroutine d2dump
   real*8            :: dX, dY, dZ
   integer::imin,jmin,kmin
   integer::imax,jmax,kmax
-  integer::i,j,k,n_elements
+  integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   dX = X(2) - X(1)
   dY = Y(2) - Y(1)
@@ -1305,12 +1300,7 @@ if(dabs(X(1)-xmin) < dX) imin = 1
 if(dabs(Y(1)-ymin) < dY) jmin = 1
 if(dabs(Z(1)-zmin) < dZ) kmin = 1
 
-! Optimized with oneMKL BLAS DDOT for dot product
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
-n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(n_elements))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
-f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
 f_out = f_out*dX*dY*dZ
 
@@ -1335,9 +1325,7 @@ f_out = f_out*dX*dY*dZ
   real*8            :: dX, dY, dZ
   integer::imin,jmin,kmin
   integer::imax,jmax,kmax
-  integer::i,j,k,n_elements
+  integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   real*8 :: PIo4
 
@@ -1400,12 +1388,7 @@ if(Symmetry==2)then
   if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
 endif
 
-! Optimized with oneMKL BLAS DDOT for dot product
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
-n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(n_elements))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
-f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
 f_out = f_out*dX*dY*dZ
 
@@ -1433,8 +1416,6 @@ f_out = f_out*dX*dY*dZ
   integer::imin,jmin,kmin
   integer::imax,jmax,kmax
   integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   real*8 :: PIo4
 
@@ -1497,12 +1478,11 @@ if(Symmetry==2)then
   if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
 endif
 
-! Optimized with oneMKL BLAS DDOT for dot product
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
+
+f_out = f_out
+
 Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(Nout))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [Nout])
-f_out = DDOT(Nout, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
   return
 
@@ -1700,7 +1680,6 @@ deallocate(f_flat)
   real*8, dimension(ORDN,ORDN) :: tmp2
   real*8, dimension(ORDN) :: tmp1
   real*8, dimension(3) :: SoAh
-  real*8, external :: DDOT
 
 ! +1 because c++ gives 0 for first point
   cxB = inds+1  
@@ -1736,21 +1715,20 @@ deallocate(f_flat)
      ya=fh(cxB(1):cxT(1),cxB(2):cxT(2),cxB(3):cxT(3))
   endif 
 
-  ! Optimized with BLAS operations for better performance
-  ! First dimension: z-direction weighted sum
   tmp2=0
   do m=1,ORDN
     tmp2 = tmp2 + coef(2*ORDN+m)*ya(:,:,m)
   enddo
 
-  ! Second dimension: y-direction weighted sum
   tmp1=0
   do m=1,ORDN
     tmp1 = tmp1 + coef(ORDN+m)*tmp2(:,m)
   enddo
 
-  ! Third dimension: x-direction weighted sum using BLAS DDOT
+  f_int=0
-  f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1780,7 +1758,6 @@ deallocate(f_flat)
   real*8, dimension(ORDN,ORDN) :: ya
   real*8, dimension(ORDN) :: tmp1
   real*8, dimension(2) :: SoAh
-  real*8, external :: DDOT
 
 ! +1 because c++ gives 0 for first point
   cxB = inds(1:2)+1  
@@ -1810,14 +1787,15 @@ deallocate(f_flat)
      ya=fh(cxB(1):cxT(1),cxB(2):cxT(2),inds(3))
   endif 
 
-  ! Optimized with BLAS operations
   tmp1=0
   do m=1,ORDN
     tmp1 = tmp1 + coef(ORDN+m)*ya(:,m)
   enddo
 
-  ! Use BLAS DDOT for final weighted sum
+  f_int=0
-  f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1848,7 +1826,6 @@ deallocate(f_flat)
   real*8, dimension(ORDN) :: ya
   real*8 :: SoAh
   integer,dimension(3) :: inds
-  real*8, external :: DDOT
 
 ! +1 because c++ gives 0 for first point
   inds = indsi + 1
@@ -1909,8 +1886,10 @@ deallocate(f_flat)
           write(*,*)"error in global_interpind1d, not recognized dumyd = ",dumyd
   endif
 
-  ! Optimized with BLAS DDOT for weighted sum
+  f_int=0
-  f_int = DDOT(ORDN, coef, 1, ya, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*ya(m)
+  enddo
 
   return
 
@@ -2142,38 +2121,24 @@ deallocate(f_flat)
 
   end function fWigner_d_function
 !----------------------------------
-! Optimized factorial function using lookup table for small N
-! and log-gamma for large N to avoid overflow
   function ffact(N) result(gont)
   implicit none
   integer,intent(in) :: N
 
   real*8 :: gont
-  integer :: i
 
-  ! Lookup table for factorials 0! to 20! (precomputed)
+  integer :: i
-  real*8, parameter, dimension(0:20) :: fact_table = [ &
-    1.d0, 1.d0, 2.d0, 6.d0, 24.d0, 120.d0, 720.d0, 5040.d0, 40320.d0, &
-    362880.d0, 3628800.d0, 39916800.d0, 479001600.d0, 6227020800.d0, &
-    87178291200.d0, 1307674368000.d0, 20922789888000.d0, &
-    355687428096000.d0, 6402373705728000.d0, 121645100408832000.d0, &
-    2432902008176640000.d0 ]
 
 ! sanity check
   if(N < 0)then
      write(*,*) "ffact: error input for factorial"
-     gont = 1.d0
      return
   endif
 
-  ! Use lookup table for small N (fast path)
+  gont = 1.d0
-  if(N <= 20)then
+  do i=1,N
-     gont = fact_table(N)
+     gont = gont*i
-  else
+  enddo
-     ! Use log-gamma function for large N: N! = exp(log_gamma(N+1))
-     ! This avoids overflow and is computed efficiently
-     gont = exp(log_gamma(dble(N+1)))
-  endif
 
   return
 

AMSS_NCKU_source/gaussj.C

@@ -16,66 +16,115 @@ using namespace std;
 #include <string.h>
 #include <math.h>
 #endif
-
+/* Linear equation solution by Gauss-Jordan elimination.
-// Intel oneMKL LAPACK interface
-#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, temp;
+
+  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;
+            for (int ii = 0; ii < n; ii++)
+            {
+              for (int jj = 0; jj < n; jj++)
+                cout << a[ii * n + jj] << " ";
+              cout << endl;
+            }
+            return 1; // error return
+          }
+        }
+
+    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;
+      for (int ii = 0; ii < n; ii++)
+      {
+        for (int jj = 0; jj < n; jj++)
+          cout << a[ii * n + jj] << " ";
+        cout << endl;
+      }
+      return 1; // error return
+    }
+
+    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/ilucg.f90

@@ -512,10 +512,11 @@
       IMPLICIT DOUBLE PRECISION (A-H,O-Z)
       DIMENSION V(N),W(N)
 !     SUBROUTINE TO COMPUTE DOUBLE PRECISION VECTOR DOT PRODUCT.
-!     Optimized using Intel oneMKL BLAS ddot
-!     Mathematical equivalence: DGVV = sum_{i=1}^{N} V(i)*W(i)
 
-      DOUBLE PRECISION, EXTERNAL :: DDOT
+      SUM = 0.0D0
-      DGVV = DDOT(N, V, 1, W, 1)
+            DO 10 I = 1,N
+            SUM = SUM + V(I)*W(I)
+10          CONTINUE
+      DGVV = SUM
       RETURN
       END

AMSS_NCKU_source/kodiss.f90

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

AMSS_NCKU_source/kodiss_sh.f90

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

AMSS_NCKU_source/lopsidediff.f90

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

AMSS_NCKU_source/macrodef.h

@@ -2,7 +2,7 @@
 #ifndef MICRODEF_H
 #define MICRODEF_H
 
-#include "macrodef.fh"
+#include "microdef.fh"
 
 // application parameters
 

AMSS_NCKU_source/makefile

@@ -16,12 +16,6 @@ include makefile.inc
 .cu.o:
 	$(Cu) $(CUDA_APP_FLAGS) -c $< -o $@ $(CUDA_LIB_PATH)
 
-TwoPunctures.o: TwoPunctures.C
-	${CXX} $(CXXAPPFLAGS) -qopenmp -c $< -o $@
-
-TwoPunctureABE.o: TwoPunctureABE.C
-	${CXX} $(CXXAPPFLAGS) -qopenmp -c $< -o $@
-
 # Input files
 C++FILES = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
            cgh.o bssn_class.o surface_integral.o ShellPatch.o\
@@ -95,14 +89,14 @@ $(CUDAFILES): bssn_gpu.h gpu_mem.h gpu_rhsSS_mem.h
 misc.o : zbesh.o
 
 # projects
-ABE: $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS)
+ABE: $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) 
-	$(CLINKER) $(CXXAPPFLAGS) -qopenmp -o $@ $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(LDLIBS)
+	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(LDLIBS)
 	
 ABEGPU: $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES)
 	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(C++FILES_GPU) $(F90FILES) $(F77FILES) $(AHFDOBJS) $(CUDAFILES) $(LDLIBS)
 
 TwoPunctureABE: $(TwoPunctureFILES)
-	$(CLINKER) $(CXXAPPFLAGS) -qopenmp -o $@ $(TwoPunctureFILES) $(LDLIBS)
+	$(CLINKER) $(CXXAPPFLAGS) -o $@ $(TwoPunctureFILES) $(LDLIBS)
 
 clean:
 	rm *.o ABE ABEGPU TwoPunctureABE make.log -f

AMSS_NCKU_source/makefile.inc

@@ -1,30 +1,22 @@
-## GCC version (commented out)
-## filein  = -I/usr/include -I/usr/lib/x86_64-linux-gnu/mpich/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
-## filein  = -I/usr/include/ -I/usr/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)
+filein  = -I/usr/include -I/usr/include/openmpi-x86_64 -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
-filein  = -I/usr/include/ -I${MKLROOT}/include
 
-## Using OpenMP-threaded MKL for parallel performance
+##filein  = -I/usr/include/ -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/ -I/usr/lib/cuda/include
-## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
-LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lifcore -limf -lpthread -lm -ldl
 
-## Aggressive optimization flags + PGO Phase 2 (profile-guided optimization)
+LDLIBS  = -L/usr/lib64/openmpi/lib -Wl,-rpath,/usr/lib64/openmpi/lib -lmpi -lgfortran -L/usr/local/cuda-13.1/lib64 -Wl,-rpath,/usr/local/cuda-13.1/lib64 -lcudart -lcuda 
-## -fprofile-instr-use: use collected profile data to guide optimization decisions
+##LDLIBS  = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -L/usr/lib/cuda/lib64 -lcudart -lmpi -lgfortran
-##   (branch prediction, basic block layout, inlining, loop unrolling)
-PROFDATA     = /home/amss/AMSS-NCKU/pgo_profile/default.profdata
-CXXAPPFLAGS  = -O3 -march=native -fp-model fast=2 -fma -ipo -qopenmp \
-               -DMPI_STUB -Dfortran3 -Dnewc -I${MKLROOT}/include
-f90appflags  = -O3 -march=native -fp-model fast=2 -fma -ipo -qopenmp \
-               -align array64byte -fpp -I${MKLROOT}/include
-f90          = ifx
-f77          = ifx
-CXX          = icpx
-CC           = icx
-CLINKER      = icpx
 
-Cu = nvcc
+CXXAPPFLAGS  = -O3 -Wno-deprecated -Dfortran3 -Dnewc
-CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
+#f90appflags = -O3 -fpp
+f90appflags  = -O3 -x f95-cpp-input
+f90          = gfortran 
+f77          = gfortran 
+CXX          = g++
+CC           = gcc
+CLINKER      = mpic++ 
+
+Cu = /usr/local/cuda-13.1/bin/nvcc
+CUDA_LIB_PATH = -L/usr/local/cuda-13.1/lib64 -I/usr/include -I/usr/local/cuda-13.1/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
+# RTX 4050 uses Ada Lovelace architecture (compute capability 8.9)
+CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -arch=sm_89 -Dfortran3 -Dnewc

AMSS_NCKU_source/misc.C

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

AMSS_NCKU_source/misc.h

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

AMSS_NCKU_source/monitor.h

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

AMSS_NCKU_source/mpi_stub.h

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

AMSS_NCKU_source/parameters.h

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

AMSS_NCKU_source/perf.h

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

AMSS_NCKU_source/rungekutta4_rout.f90

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

AMSS_NCKU_source/scalar_class.h

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

AMSS_NCKU_source/scalarwaves.C

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

AMSS_NCKU_source/setup.C

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

AMSS_NCKU_source/surface_integral.C

@@ -20,11 +20,7 @@ using namespace std;
 #include <math.h>
 #include <map.h>
 #endif
-#ifdef MPI_STUB
-#include "mpi_stub.h"
-#else
 #include <mpi.h>
-#endif
 
 #include "misc.h"
 #include "cgh.h"
@@ -224,9 +220,16 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
     pox[2][n] = rex * nz_g[n];
   }
 
+  double *shellf;
+  shellf = new double[n_tot * InList];
+
+  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry);
+
   int mp, Lp, Nmin, Nmax;
+
   mp = n_tot / cpusize;
   Lp = n_tot - cpusize * mp;
+
   if (Lp > myrank)
   {
     Nmin = myrank * mp + myrank;
@@ -238,11 +241,6 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
     Nmax = Nmin + mp - 1;
   }
 
-  double *shellf;
-  shellf = new double[n_tot * InList];
-
-  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry, Nmin, Nmax);
-
   //|~~~~~> Integrate the dot product of Dphi with the surface normal.
 
   double *RP_out, *IP_out;
@@ -365,17 +363,8 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -567,17 +556,8 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, Comm_here);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, Comm_here);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, Comm_here);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -755,17 +735,8 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH, var *Rpsi4
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -1013,17 +984,8 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -1457,17 +1419,8 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -1901,17 +1854,8 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -2096,17 +2040,8 @@ void surface_integral::surf_Wave(double rex, int lev, NullShellPatch2 *GH, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -2291,17 +2226,8 @@ void surface_integral::surf_Wave(double rex, int lev, NullShellPatch *GH, var *R
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 
@@ -2388,9 +2314,25 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     pox[2][n] = rex * nz_g[n];
   }
 
+  double *shellf;
+  shellf = new double[n_tot * InList];
+
+  // we have assumed there is only one box on this level,
+  // so we do not need loop boxes
+  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry);
+
+  double Mass_out = 0;
+  double ang_outx, ang_outy, ang_outz;
+  double p_outx, p_outy, p_outz;
+  ang_outx = ang_outy = ang_outz = 0.0;
+  p_outx = p_outy = p_outz = 0.0;
+  const double f1o8 = 0.125;
+
   int mp, Lp, Nmin, Nmax;
+
   mp = n_tot / cpusize;
   Lp = n_tot - cpusize * mp;
+
   if (Lp > myrank)
   {
     Nmin = myrank * mp + myrank;
@@ -2402,20 +2344,6 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     Nmax = Nmin + mp - 1;
   }
 
-  double *shellf;
-  shellf = new double[n_tot * InList];
-
-  // we have assumed there is only one box on this level,
-  // so we do not need loop boxes
-  GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry, Nmin, Nmax);
-
-  double Mass_out = 0;
-  double ang_outx, ang_outy, ang_outz;
-  double p_outx, p_outy, p_outz;
-  ang_outx = ang_outy = ang_outz = 0.0;
-  p_outx = p_outy = p_outz = 0.0;
-  const double f1o8 = 0.125;
-
   double Chi, Psi;
   double Gxx, Gxy, Gxz, Gyy, Gyz, Gzz;
   double gupxx, gupxy, gupxz, gupyy, gupyz, gupzz;
@@ -2536,13 +2464,15 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     }
   }
 
-  {
+  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
+
-    double scalar_in[7];
+  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
+  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
+
-  }
+  MPI_Allreduce(&p_outx, &px, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&p_outy, &py, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&p_outz, &pz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
 #ifdef GaussInt
   mass = mass * rex * rex * dphi * factor;
@@ -2805,13 +2735,15 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     }
   }
 
-  {
+  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
-    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
+
-    double scalar_in[7];
+  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
-    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, Comm_here);
+  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
-    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
+  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
-    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
+
-  }
+  MPI_Allreduce(&p_outx, &px, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+  MPI_Allreduce(&p_outy, &py, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+  MPI_Allreduce(&p_outz, &pz, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
 
 #ifdef GaussInt
   mass = mass * rex * rex * dphi * factor;
@@ -3088,13 +3020,15 @@ void surface_integral::surf_MassPAng(double rex, int lev, ShellPatch *GH, var *c
     }
   }
 
-  {
+  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
+
-    double scalar_in[7];
+  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
+  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
+
-  }
+  MPI_Allreduce(&p_outx, &px, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&p_outy, &py, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&p_outz, &pz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
 #ifdef GaussInt
   mass = mass * rex * rex * dphi * factor;
@@ -3673,17 +3607,8 @@ void surface_integral::surf_Wave(double rex, cgh *GH, ShellPatch *SH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP_out = new double[2 * NN];
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
 
   //|------= Free memory.
 

AMSS_NCKU_source/testNull.C

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

AMSS_NCKU_source/testNull2.C

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

AMSS_NCKU_source/var.C

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

makefile_and_run.py

@@ -10,31 +10,6 @@
 
 import AMSS_NCKU_Input as input_data
 import subprocess
-import time
-import os
-
-## OpenMP configuration for threaded Fortran kernels
-## OMP_NUM_THREADS: set to number of physical cores (not hyperthreads)
-## OMP_PROC_BIND: bind threads to cores to avoid migration overhead
-## OMP_STACKSIZE: each thread needs stack space for fh arrays (~3.6MB)
-if "OMP_NUM_THREADS" not in os.environ:
-    os.environ["OMP_NUM_THREADS"] = "96"
-os.environ["OMP_STACKSIZE"] = "16M"
-os.environ["OMP_PROC_BIND"] = "close"
-os.environ["OMP_PLACES"] = "cores"
-## CPU core binding configuration using taskset
-## taskset ensures all child processes inherit the CPU affinity mask
-## This forces make and all compiler processes to use only nohz_full cores (4-55, 60-111)
-## Format: taskset -c 4-55,60-111 ensures processes only run on these cores
-#NUMACTL_CPU_BIND = "taskset -c 0-111"
-#NUMACTL_CPU_BIND = "taskset -c 16-47,64-95"
-#NUMACTL_CPU_BIND = "taskset -c 8-15"
-NUMACTL_CPU_BIND = ""
-
-## Build parallelism configuration
-## Use nohz_full cores (4-55, 60-111) for compilation: 52 + 52 = 104 cores
-## Set make -j to utilize available cores for faster builds
-BUILD_JOBS = 16
 
 
 ##################################################################
@@ -51,11 +26,11 @@ def makefile_ABE():
     print( " Compiling the AMSS-NCKU executable file ABE/ABEGPU " ) 
     print(                                                        )
 
-    ## Build command with CPU binding to nohz_full cores
+    ## Build command
     if (input_data.GPU_Calculation == "no"):
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABE"
+        makefile_command  = "make -j4" + " ABE"
     elif (input_data.GPU_Calculation == "yes"):
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABEGPU"
+        makefile_command  = "make -j4" + " ABEGPU"
     else:
         print( " CPU/GPU numerical calculation setting is wrong " )
         print(                                                    )
@@ -92,8 +67,8 @@ def makefile_TwoPunctureABE():
     print( " Compiling the AMSS-NCKU executable file TwoPunctureABE " )
     print(                                                            )
     
-    ## Build command with CPU binding to nohz_full cores
+    ## Build command
-    makefile_command = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} TwoPunctureABE"
+    makefile_command = "make" + " TwoPunctureABE"
 
     ## Execute the command with subprocess.Popen and stream output
     makefile_process = subprocess.Popen(makefile_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True) 
@@ -128,28 +103,28 @@ def run_ABE():
     print(                                                      )
 
     ## Define the command to run; cast other values to strings as needed
-
+    
     if (input_data.GPU_Calculation == "no"):
-        run_command         = NUMACTL_CPU_BIND + " ./ABE"
+        mpi_command         = "mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
-        run_command_outfile = "ABE_out.log"
+        mpi_command_outfile = "ABE_out.log"
     elif (input_data.GPU_Calculation == "yes"):
-        run_command         = NUMACTL_CPU_BIND + " ./ABEGPU"
+        mpi_command         = "mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
-        run_command_outfile = "ABEGPU_out.log"
+        mpi_command_outfile = "ABEGPU_out.log"
-
+ 
-    ## Execute the command and stream output
+    ## Execute the MPI command and stream output
-    run_process = subprocess.Popen(run_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
+    mpi_process = subprocess.Popen(mpi_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
 
     ## Write ABE run output to file while printing to stdout
-    with open(run_command_outfile, 'w') as file0:
+    with open(mpi_command_outfile, 'w') as file0:  
         ## Read and print output lines; also write each line to file
-        for line in run_process.stdout:
+        for line in mpi_process.stdout:
             print(line, end='')  # stream output in real time
             file0.write(line)    # write the line to file
             file0.flush()        # flush to ensure each line is written immediately (optional)            
     file0.close()
 
     ## Wait for the process to finish
-    run_return_code = run_process.wait()
+    mpi_return_code = mpi_process.wait()
     
     print(                                           )
     print( " The ABE/ABEGPU simulation is finished " ) 
@@ -166,14 +141,13 @@ def run_ABE():
 ## Run the AMSS-NCKU TwoPuncture program TwoPunctureABE
 
 def run_TwoPunctureABE():
-    tp_time1=time.time()
+
     print(                                                          )
     print( " Running the AMSS-NCKU executable file TwoPunctureABE " ) 
     print(                                                          )
     
     ## Define the command to run
-    #TwoPuncture_command         = NUMACTL_CPU_BIND + " ./TwoPunctureABE"
+    TwoPuncture_command         = "./TwoPunctureABE"
-    TwoPuncture_command         = " ./TwoPunctureABE"
     TwoPuncture_command_outfile = "TwoPunctureABE_out.log"
 
     ## Execute the command with subprocess.Popen and stream output
@@ -194,9 +168,7 @@ def run_TwoPunctureABE():
     print(                                               )
     print( " The TwoPunctureABE simulation is finished " ) 
     print(                                               )
-    tp_time2=time.time()
+    
-    et=tp_time2-tp_time1
-    print(f"Used time: {et}")
     return
 
 ##################################################################

pgo_profile/PGO_Profile_Analysis.md

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