删除diff_new.f90中冗余部分，方便后续工作

.gitignore

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

AMSS_NCKU_ABEtest.py

@@ -0,0 +1,445 @@
+
+##################################################################
+##
+## AMSS-NCKU ABE Test Program (Skip TwoPuncture if data exists)
+## Modified from AMSS_NCKU_Program.py
+## Author: Xiaoqu
+## Modified: 2026/02/01
+##
+##################################################################
+
+
+##################################################################
+
+## Print program introduction
+
+import print_information
+
+print_information.print_program_introduction()
+
+##################################################################
+
+import AMSS_NCKU_Input as input_data
+
+##################################################################
+
+## Create directories to store program run data
+
+import os
+import shutil
+import sys
+import time
+
+## Set the output directory according to the input file
+File_directory = os.path.join(input_data.File_directory)
+
+## Check if output directory exists and if TwoPuncture data is available
+skip_twopuncture = False
+output_directory = os.path.join(File_directory, "AMSS_NCKU_output")
+binary_results_directory = os.path.join(output_directory, input_data.Output_directory)
+
+if os.path.exists(File_directory):
+    print( " Output directory already exists." )
+    print()
+
+    # Check if TwoPuncture initial data files exist
+    if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture"):
+        twopuncture_output = os.path.join(output_directory, "TwoPunctureABE")
+        input_par = os.path.join(output_directory, "input.par")
+
+        if os.path.exists(twopuncture_output) and os.path.exists(input_par):
+            print( " Found existing TwoPuncture initial data." )
+            print( " Do you want to skip TwoPuncture phase and reuse existing data?" )
+            print( " Input 'skip' to skip TwoPuncture and start ABE directly" )
+            print( " Input 'regenerate' to regenerate everything from scratch" )
+            print()
+
+            while True:
+                try:
+                    inputvalue = input()
+                    if ( inputvalue == "skip" ):
+                        print( " Skipping TwoPuncture phase, will reuse existing initial data." )
+                        print()
+                        skip_twopuncture = True
+                        break
+                    elif ( inputvalue == "regenerate" ):
+                        print( " Regenerating everything from scratch." )
+                        print()
+                        skip_twopuncture = False
+                        break
+                    else:
+                        print( " Please input 'skip' or 'regenerate'." )
+                except ValueError:
+                    print( " Please input 'skip' or 'regenerate'." )
+        else:
+            print( " TwoPuncture initial data not found, will regenerate everything." )
+            print()
+
+    # If not skipping, remove and recreate directory
+    if not skip_twopuncture:
+        shutil.rmtree(File_directory, ignore_errors=True)
+        os.mkdir(File_directory)
+        os.mkdir(output_directory)
+        os.mkdir(binary_results_directory)
+        figure_directory = os.path.join(File_directory, "figure")
+        os.mkdir(figure_directory)
+        shutil.copy("AMSS_NCKU_Input.py", File_directory)
+        print( " Output directory has been regenerated." )
+        print()
+else:
+    # Create fresh directory structure
+    os.mkdir(File_directory)
+    shutil.copy("AMSS_NCKU_Input.py", File_directory)
+    os.mkdir(output_directory)
+    os.mkdir(binary_results_directory)
+    figure_directory = os.path.join(File_directory, "figure")
+    os.mkdir(figure_directory)
+    print( " Output directory has been generated." )
+    print()
+
+# Ensure figure directory exists
+figure_directory = os.path.join(File_directory, "figure")
+if not os.path.exists(figure_directory):
+    os.mkdir(figure_directory)
+
+##################################################################
+
+## Output related parameter information
+
+import setup
+
+## Print and save input parameter information
+setup.print_input_data( File_directory )
+
+if not skip_twopuncture:
+    setup.generate_AMSSNCKU_input()
+
+setup.print_puncture_information()
+
+
+##################################################################
+
+## Generate AMSS-NCKU program input files based on the configured parameters
+
+if not skip_twopuncture:
+    print()
+    print( " Generating the AMSS-NCKU input parfile for the ABE executable." )
+    print()
+
+    ## Generate cgh-related input files from the grid information
+
+    import numerical_grid
+
+    numerical_grid.append_AMSSNCKU_cgh_input()
+
+    print()
+    print( " The input parfile for AMSS-NCKU C++ executable file ABE has been generated." )
+    print( " However, the input relevant to TwoPuncture need to be appended later." )
+    print()
+
+
+##################################################################
+
+## Plot the initial grid configuration
+
+if not skip_twopuncture:
+    print()
+    print( " Schematically plot the numerical grid structure." )
+    print()
+
+    import numerical_grid
+    numerical_grid.plot_initial_grid()
+
+
+##################################################################
+
+## Generate AMSS-NCKU macro files according to the numerical scheme and parameters
+
+if not skip_twopuncture:
+    print()
+    print( " Automatically generating the macro file for AMSS-NCKU C++ executable file ABE " )
+    print( " (Based on the finite-difference numerical scheme) " )
+    print()
+
+    import generate_macrodef
+
+    generate_macrodef.generate_macrodef_h()
+    print( " AMSS-NCKU macro file macrodef.h has been generated. " )
+
+    generate_macrodef.generate_macrodef_fh()
+    print( " AMSS-NCKU macro file macrodef.fh has been generated. " )
+
+
+##################################################################
+
+# Compile the AMSS-NCKU program according to user requirements
+# NOTE: ABE compilation is always performed, even when skipping TwoPuncture
+
+print()
+print( " Preparing to compile and run the AMSS-NCKU code as requested " )
+print( " Compiling the AMSS-NCKU code based on the generated macro files " )
+print()
+
+AMSS_NCKU_source_path = "AMSS_NCKU_source"
+AMSS_NCKU_source_copy = os.path.join(File_directory, "AMSS_NCKU_source_copy")
+
+## If AMSS_NCKU source folder is missing, create it and prompt the user
+if not os.path.exists(AMSS_NCKU_source_path):
+    os.makedirs(AMSS_NCKU_source_path)
+    print( " The AMSS-NCKU source files are incomplete; copy all source files into ./AMSS_NCKU_source. " )
+    print( " Press Enter to continue. " )
+    inputvalue = input()
+
+# Copy AMSS-NCKU source files to prepare for compilation
+# If skipping TwoPuncture and source_copy already exists, remove it first
+if skip_twopuncture and os.path.exists(AMSS_NCKU_source_copy):
+    shutil.rmtree(AMSS_NCKU_source_copy)
+
+shutil.copytree(AMSS_NCKU_source_path, AMSS_NCKU_source_copy)
+
+# Copy the generated macro files into the AMSS_NCKU source folder
+if not skip_twopuncture:
+    macrodef_h_path  = os.path.join(File_directory, "macrodef.h")
+    macrodef_fh_path = os.path.join(File_directory, "macrodef.fh")
+else:
+    # When skipping TwoPuncture, use existing macro files from previous run
+    macrodef_h_path  = os.path.join(File_directory, "macrodef.h")
+    macrodef_fh_path = os.path.join(File_directory, "macrodef.fh")
+
+shutil.copy2(macrodef_h_path,  AMSS_NCKU_source_copy)
+shutil.copy2(macrodef_fh_path, AMSS_NCKU_source_copy)
+
+# Compile related programs
+import makefile_and_run
+
+## Change working directory to the target source copy
+os.chdir(AMSS_NCKU_source_copy)
+
+## Build the main AMSS-NCKU executable (ABE or ABEGPU)
+makefile_and_run.makefile_ABE()
+
+## If the initial-data method is Ansorg-TwoPuncture, build the TwoPunctureABE executable
+## Only build TwoPunctureABE if not skipping TwoPuncture phase
+if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ) and not skip_twopuncture:
+    makefile_and_run.makefile_TwoPunctureABE()
+
+## Change current working directory back up two levels
+os.chdir('..')
+os.chdir('..')
+
+print()
+
+##################################################################
+
+## Copy the AMSS-NCKU executable (ABE/ABEGPU) to the run directory
+
+if (input_data.GPU_Calculation == "no"):
+    ABE_file = os.path.join(AMSS_NCKU_source_copy, "ABE")
+elif (input_data.GPU_Calculation == "yes"):
+    ABE_file = os.path.join(AMSS_NCKU_source_copy, "ABEGPU")
+
+if not os.path.exists( ABE_file ):
+    print()
+    print( " Lack of AMSS-NCKU executable file ABE/ABEGPU; recompile AMSS_NCKU_source manually. " )
+    print( " When recompilation is finished, press Enter to continue. " )
+    inputvalue = input()
+
+## Copy the executable ABE (or ABEGPU) into the run directory
+shutil.copy2(ABE_file, output_directory)
+
+## If the initial-data method is TwoPuncture, copy the TwoPunctureABE executable to the run directory
+## Only copy TwoPunctureABE if not skipping TwoPuncture phase
+if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ) and not skip_twopuncture:
+    TwoPuncture_file = os.path.join(AMSS_NCKU_source_copy, "TwoPunctureABE")
+
+    if not os.path.exists( TwoPuncture_file ):
+        print()
+        print( " Lack of AMSS-NCKU executable file TwoPunctureABE; recompile TwoPunctureABE in AMSS_NCKU_source. " )
+        print( " When recompilation is finished, press Enter to continue. " )
+        inputvalue = input()
+
+    ## Copy the TwoPunctureABE executable into the run directory
+    shutil.copy2(TwoPuncture_file, output_directory)
+
+##################################################################
+
+## If the initial-data method is TwoPuncture, generate the TwoPuncture input files
+
+if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ) and not skip_twopuncture:
+
+    print()
+    print( " Initial data is chosen as Ansorg-TwoPuncture" )
+    print()
+    
+    print()
+    print( " Automatically generating the input parfile for the TwoPunctureABE executable " )
+    print()
+    
+    import generate_TwoPuncture_input
+    
+    generate_TwoPuncture_input.generate_AMSSNCKU_TwoPuncture_input()
+    
+    print()
+    print( " The input parfile for the TwoPunctureABE executable has been generated. " )
+    print()
+    
+    ## Generated AMSS-NCKU TwoPuncture input filename
+    AMSS_NCKU_TwoPuncture_inputfile      = 'AMSS-NCKU-TwoPuncture.input'
+    AMSS_NCKU_TwoPuncture_inputfile_path = os.path.join( File_directory, AMSS_NCKU_TwoPuncture_inputfile )
+ 
+    ## Copy and rename the file
+    shutil.copy2( AMSS_NCKU_TwoPuncture_inputfile_path, os.path.join(output_directory, 'TwoPunctureinput.par') )
+    
+    ## Run TwoPuncture to generate initial-data files
+    
+    start_time = time.time()  # Record start time
+
+    print()
+    print()
+    
+    ## Change to the output (run) directory
+    os.chdir(output_directory)
+
+    ## Run the TwoPuncture executable
+    import makefile_and_run
+    makefile_and_run.run_TwoPunctureABE()
+    
+    ## Change current working directory back up two levels
+    os.chdir('..')
+    os.chdir('..')
+
+elif (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ) and skip_twopuncture:
+    print()
+    print( " Skipping TwoPuncture execution, using existing initial data." )
+    print()
+    start_time = time.time()  # Record start time for ABE only
+else:
+    start_time = time.time()  # Record start time
+    
+##################################################################
+    
+## Update puncture data based on TwoPuncture run results
+
+if not skip_twopuncture:
+    import renew_puncture_parameter
+    renew_puncture_parameter.append_AMSSNCKU_BSSN_input(File_directory, output_directory)
+
+    ## Generated AMSS-NCKU input filename
+    AMSS_NCKU_inputfile      = 'AMSS-NCKU.input'
+    AMSS_NCKU_inputfile_path = os.path.join(File_directory, AMSS_NCKU_inputfile)
+ 
+    ## Copy and rename the file
+    shutil.copy2( AMSS_NCKU_inputfile_path, os.path.join(output_directory, 'input.par') )
+
+    print()
+    print( " Successfully copy all AMSS-NCKU input parfile to target dictionary. " )
+    print()
+else:
+    print()
+    print( " Using existing input.par file from previous run." )
+    print()
+
+##################################################################
+
+## Launch the AMSS-NCKU program
+
+print()
+print()
+
+## Change to the run directory
+os.chdir( output_directory )
+
+import makefile_and_run
+makefile_and_run.run_ABE()
+
+## Change current working directory back up two levels
+os.chdir('..')
+os.chdir('..')
+
+end_time = time.time()
+elapsed_time = end_time - start_time
+
+##################################################################
+
+## Copy some basic input and log files out to facilitate debugging
+
+## Path to the file that stores calculation settings
+AMSS_NCKU_error_file_path = os.path.join(binary_results_directory, "setting.par")
+## Copy and rename the file for easier inspection
+shutil.copy( AMSS_NCKU_error_file_path, os.path.join(output_directory, "AMSSNCKU_setting_parameter") )
+
+## Path to the error log file
+AMSS_NCKU_error_file_path = os.path.join(binary_results_directory, "Error.log")
+## Copy and rename the error log
+shutil.copy( AMSS_NCKU_error_file_path, os.path.join(output_directory, "Error.log") )
+
+## Primary program outputs
+AMSS_NCKU_BH_data         = os.path.join(binary_results_directory, "bssn_BH.dat"        )
+AMSS_NCKU_ADM_data        = os.path.join(binary_results_directory, "bssn_ADMQs.dat"     )
+AMSS_NCKU_psi4_data       = os.path.join(binary_results_directory, "bssn_psi4.dat"      )
+AMSS_NCKU_constraint_data = os.path.join(binary_results_directory, "bssn_constraint.dat")
+## copy and rename the file
+shutil.copy( AMSS_NCKU_BH_data,         os.path.join(output_directory, "bssn_BH.dat"        ) )
+shutil.copy( AMSS_NCKU_ADM_data,        os.path.join(output_directory, "bssn_ADMQs.dat"     ) )
+shutil.copy( AMSS_NCKU_psi4_data,       os.path.join(output_directory, "bssn_psi4.dat"      ) )
+shutil.copy( AMSS_NCKU_constraint_data, os.path.join(output_directory, "bssn_constraint.dat") )
+
+## Additional program outputs
+if (input_data.Equation_Class == "BSSN-EM"):
+    AMSS_NCKU_phi1_data = os.path.join(binary_results_directory, "bssn_phi1.dat" )
+    AMSS_NCKU_phi2_data = os.path.join(binary_results_directory, "bssn_phi2.dat" )
+    shutil.copy( AMSS_NCKU_phi1_data, os.path.join(output_directory, "bssn_phi1.dat" ) )
+    shutil.copy( AMSS_NCKU_phi2_data, os.path.join(output_directory, "bssn_phi2.dat" ) )
+elif (input_data.Equation_Class == "BSSN-EScalar"):
+    AMSS_NCKU_maxs_data = os.path.join(binary_results_directory, "bssn_maxs.dat" )
+    shutil.copy( AMSS_NCKU_maxs_data, os.path.join(output_directory, "bssn_maxs.dat" ) )
+
+##################################################################
+
+## Plot the AMSS-NCKU program results
+
+print()
+print( " Plotting the txt and binary results data from the AMSS-NCKU simulation " )
+print()
+
+
+import plot_xiaoqu
+import plot_GW_strain_amplitude_xiaoqu
+
+## Plot black hole trajectory
+plot_xiaoqu.generate_puncture_orbit_plot(   binary_results_directory, figure_directory )
+plot_xiaoqu.generate_puncture_orbit_plot3D( binary_results_directory, figure_directory )
+
+## Plot black hole separation vs. time
+plot_xiaoqu.generate_puncture_distence_plot( binary_results_directory, figure_directory )
+
+## Plot gravitational waveforms (psi4 and strain amplitude)
+for i in range(input_data.Detector_Number):
+    plot_xiaoqu.generate_gravitational_wave_psi4_plot( binary_results_directory, figure_directory, i )
+    plot_GW_strain_amplitude_xiaoqu.generate_gravitational_wave_amplitude_plot( binary_results_directory, figure_directory, i )
+
+## Plot ADM mass evolution
+for i in range(input_data.Detector_Number):
+    plot_xiaoqu.generate_ADMmass_plot( binary_results_directory, figure_directory, i )
+
+## Plot Hamiltonian constraint violation over time
+for i in range(input_data.grid_level):
+    plot_xiaoqu.generate_constraint_check_plot( binary_results_directory, figure_directory, i )
+
+## Plot stored binary data
+plot_xiaoqu.generate_binary_data_plot( binary_results_directory, figure_directory )
+
+print()
+print( f" This Program Cost = {elapsed_time} Seconds " )
+print()
+
+
+##################################################################
+
+print()
+print( " The AMSS-NCKU-Python simulation is successfully finished, thanks for using !!! " )
+print()
+
+##################################################################
+
+

AMSS_NCKU_Input.py

@@ -16,7 +16,7 @@ import numpy
 File_directory   = "GW150914"                    ## output file directory
 Output_directory = "binary_output"               ## binary data file directory
                                                  ## The file directory name should not be too long
-MPI_processes    = 2                          ## number of mpi processes used in the simulation
+MPI_processes    = 64                             ## number of mpi processes used in the simulation
 
 GPU_Calculation  = "no"                          ## Use GPU or not 
                                                  ## (prefer "no" in the current version, because the GPU part may have bugs when integrated in this Python interface)
@@ -50,7 +50,7 @@ Check_Time               = 100.0
 Dump_Time                = 100.0                  ## time inteval dT for dumping binary data
 D2_Dump_Time             = 100.0                  ## dump the ascii data for 2d surface after dT'
 Analysis_Time            = 0.1                    ## dump the puncture position and GW psi4 after dT"
-Evolution_Step_Number    = 6               ## stop the calculation after the maximal step number
+Evolution_Step_Number    = 10000000               ## stop the calculation after the maximal step number
 Courant_Factor           = 0.5                    ## Courant Factor
 Dissipation              = 0.15                   ## Kreiss-Oliger Dissipation Strength
 

AMSS_NCKU_Program.py

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

AMSS_NCKU_Verify_ASC26.py

@@ -277,3 +277,4 @@ def main():
 
 if __name__ == "__main__":
     main()
+

AMSS_NCKU_source/ABE.C

@@ -24,7 +24,7 @@ using namespace std;
 
 #include "misc.h"
 #include "macrodef.h"
-#include <omp.h>
+
 #ifndef ABEtype
 #error "not define ABEtype"
 #endif
@@ -69,9 +69,8 @@ int main(int argc, char *argv[])
 
       double Begin_clock, End_clock;
       if (myrank == 0)
-      {     
+      {
             Begin_clock = MPI_Wtime();
-
       }
 
       if (argc > 1)

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
-DOUBLE PRECISION, dimension(2*nn), intent(inout) :: dataa
-
-type(DFTI_DESCRIPTOR), pointer :: desc
-integer :: status
-
-! Create DFTI descriptor for 1D complex-to-complex transform
-status = DftiCreateDescriptor(desc, DFTI_DOUBLE, DFTI_COMPLEX, 1, nn)
-if (status /= 0) return
-
-! Set input/output storage as interleaved complex (default)
-status = DftiSetValue(desc, DFTI_PLACEMENT, DFTI_INPLACE)
-if (status /= 0) then
-   status = DftiFreeDescriptor(desc)
-   return
+INTEGER::isign,nn
+double precision,dimension(2*nn)::dataa
+INTEGER::i,istep,j,m,mmax,n
+double precision::tempi,tempr
+DOUBLE PRECISION::theta,wi,wpi,wpr,wr,wtemp
+n=2*nn
+j=1
+do i=1,n,2
+  if(j.gt.i)then
+     tempr=dataa(j)
+     tempi=dataa(j+1)
+     dataa(j)=dataa(i)
+     dataa(j+1)=dataa(i+1)
+     dataa(i)=tempr
+     dataa(i+1)=tempi
+  endif
+  m=nn
+1 if ((m.ge.2).and.(j.gt.m)) then
+  j=j-m
+  m=m/2
+goto 1
+  endif
+j=j+m
+enddo
+mmax=2
+2  if (n.gt.mmax) then
+     istep=2*mmax
+     theta=6.28318530717959d0/(isign*mmax)
+     wpr=-2.d0*sin(0.5d0*theta)**2
+     wpi=sin(theta)
+     wr=1.d0
+     wi=0.d0
+     do m=1,mmax,2
+       do i=m,n,istep
+         j=i+mmax
+         tempr=sngl(wr)*dataa(j)-sngl(wi)*dataa(j+1)
+         tempi=sngl(wr)*dataa(j+1)+sngl(wi)*dataa(j)
+         dataa(j)=dataa(i)-tempr
+         dataa(j+1)=dataa(i+1)-tempi
+         dataa(i)=dataa(i)+tempr
+         dataa(i+1)=dataa(i+1)+tempi
+       enddo
+          wtemp=wr
+          wr=wr*wpr-wi*wpi+wr
+          wi=wi*wpr+wtemp*wpi+wi
+     enddo
+mmax=istep
+goto 2
 endif
-
-! Commit the descriptor
-status = DftiCommitDescriptor(desc)
-if (status /= 0) then
-   status = DftiFreeDescriptor(desc)
-   return
-endif
-
-! Execute FFT based on direction
-if (isign == 1) then
-   ! Forward FFT: exp(-2*pi*i*k*n/N)
-   status = DftiComputeForward(desc, dataa)
-else
-   ! Backward FFT: exp(+2*pi*i*k*n/N)
-   status = DftiComputeBackward(desc, dataa)
-endif
-
-! Free descriptor
-status = DftiFreeDescriptor(desc)
-
 return
 END SUBROUTINE four1

AMSS_NCKU_source/MPatch.C

@@ -13,7 +13,7 @@ using namespace std;
 #include "MPatch.h"
 #include "Parallel.h"
 #include "fmisc.h"
-#include "xh_global_interp.h"
+
 Patch::Patch(int DIM, int *shapei, double *bboxi, int levi, bool buflog, int Symmetry) : lev(levi)
 {
 
@@ -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
-  // All ranks traverse the same block list so they all agree on ownership
-  int *owner_rank;
-  owner_rank = new int[NN];
-  for (int j = 0; j < NN; j++)
-    owner_rank[j] = -1;
+  // we use weight to monitor code, later some day we can move it for optimization
+  int *weight;
+  weight = new int[NN];
+  memset(weight, 0, sizeof(int) * NN);
+
+  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
   {
@@ -394,9 +399,16 @@ void Patch::Interp_Points(MyList<var> *VarList,
     while (notfind && Bp) // run along Blocks
     {
       Block *BP = Bp->data;
+
       bool flag = true;
       for (int i = 0; i < dim; i++)
       {
+// 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
@@ -421,7 +433,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
       if (flag)
       {
         notfind = false;
-        owner_rank[j] = BP->rank;
         if (myrank == BP->rank)
         {
           //---> interpolation
@@ -429,187 +440,14 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-
-            xh_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++;
           }
-        }
-      }
-      if (Bp == ble)
-        break;
-      Bp = Bp->next;
-    }
-
-  }
-
-  // Replace MPI_Allreduce with per-owner MPI_Bcast:
-  // Group consecutive points by owner rank and broadcast each group.
-  // Since each point's data is non-zero only on the owner rank,
-  // Bcast from owner is equivalent to Allreduce(MPI_SUM) but much cheaper.
-  {
-    int j = 0;
-    while (j < NN)
-    {
-      int cur_owner = owner_rank[j];
-      if (cur_owner < 0)
-      {
-        if (myrank == 0)
-        {
-          cout << "ERROR: Patch::Interp_Points fails to find point (";
-          for (int d = 0; d < dim; d++)
-          {
-            cout << XX[d][j];
-            if (d < dim - 1)
-              cout << ",";
-            else
-              cout << ")";
-          }
-          cout << " on Patch (";
-          for (int d = 0; d < dim; d++)
-          {
-            cout << bbox[d] << "+" << lli[d] * DH[d];
-            if (d < dim - 1)
-              cout << ",";
-            else
-              cout << ")--";
-          }
-          cout << "(";
-          for (int d = 0; d < dim; d++)
-          {
-            cout << bbox[dim + d] << "-" << uui[d] * DH[d];
-            if (d < dim - 1)
-              cout << ",";
-            else
-              cout << ")" << endl;
-          }
-          MPI_Abort(MPI_COMM_WORLD, 1);
-        }
-        j++;
-        continue;
-      }
-      // Find contiguous run of points with the same owner
-      int jstart = j;
-      while (j < NN && owner_rank[j] == cur_owner)
-        j++;
-      int count = (j - jstart) * num_var;
-      MPI_Bcast(Shellf + jstart * num_var, count, MPI_DOUBLE, cur_owner, MPI_COMM_WORLD);
-    }
-  }
-
-  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);
-// printf("here----\n");
-  // int zzz = 0;
-  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];
-  for (int i = 0; i < dim; i++)
-    DH[i] = getdX(i);
-
-  // --- Interpolation phase (identical to original) ---
-  // printf("NN: %d, num_var = %d\n", NN, num_var);
-  #pragma omp parallel
-  {
-  #pragma omp for
-  for (int j = 0; j < NN; j++)
-  {
-    double pox[dim], llb[dim], uub[dim];
-    MyList<var> *varl1;
-    for (int i = 0; i < dim; i++)
-    {
-      pox[i] = XX[i][j];
-      // if (myrank == 0 && (XX[i][j] < bbox[i] + lli[i] * DH[i] || XX[i][j] > bbox[dim + i] - uui[i] * DH[i]))
-      // {
-      //   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;
-        }
-      }
-      // printf("flag = %d\n", flag);
-      if (flag)
-      {
-        notfind = false;
-        owner_rank[j] = BP->rank;
-        if (myrank == BP->rank)
-        {
-          varl1 = VarList;
-          int k = 0;
-          while (varl1)
-          {
-            
-            xh_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl1->data->sgfn], Shellf[j * num_var + k],
-                            pox[0], pox[1], pox[2], ordn, varl1->data->SoA, Symmetry);
-            varl1 = varl1->next;
-            k++;
-            // zzz += 1;
-          }
+          weight[j] = 1;
         }
       }
       if (Bp == ble)
@@ -617,164 +455,104 @@ void Patch::Interp_Points(MyList<var> *VarList,
       Bp = Bp->next;
     }
   }
-  }
-  // printf("Interpolation done, zzz = %d\n", zzz);
-  // --- Error check for unfound points ---
-  for (int j = 0; j < NN; j++)
+
+  MPI_Allreduce(shellf, Shellf, NN * num_var, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  int *Weight;
+  Weight = new int[NN];
+  MPI_Allreduce(weight, Weight, NN, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+
+  //  misc::tillherecheck("print me");
+
+  for (int i = 0; i < NN; i++)
   {
-    if (owner_rank[j] < 0 && myrank == 0)
+    if (Weight[i] > 1)
+    {
+      if (myrank == 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];
+    }
+    else if (Weight[i] == 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];
-        if (d < dim - 1)
+        cout << XX[j][i];
+        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];
-        if (d < dim - 1)
+        cout << bbox[j] << "+" << lli[j] * getdX(j);
+        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];
-        if (d < dim - 1)
+        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);
     }
   }
 
-  // --- Targeted point-to-point communication phase ---
-  // Compute consumer_rank[j] using the same deterministic formula as surface_integral
-  int *consumer_rank = new int[NN];
-  {
-    int mp = NN / nprocs;
-    int Lp = NN - nprocs * mp;
-    for (int j = 0; j < NN; j++)
-    {
-      if (j < Lp * (mp + 1))
-        consumer_rank[j] = j / (mp + 1);
-      else
-        consumer_rank[j] = Lp + (j - Lp * (mp + 1)) / mp;
-    }
-  }
-
-  // Count sends and recvs per rank
-  int *send_count = new int[nprocs];
-  int *recv_count = new int[nprocs];
-  memset(send_count, 0, sizeof(int) * nprocs);
-  memset(recv_count, 0, sizeof(int) * nprocs);
-
-  for (int j = 0; j < NN; j++)
-  {
-    int own = owner_rank[j];
-    int con = consumer_rank[j];
-    if (own == con)
-      continue; // local — no communication needed
-    if (own == myrank)
-      send_count[con]++;
-    if (con == myrank)
-      recv_count[own]++;
-  }
-
-  // Build send buffers: for each destination rank, pack (index, data) pairs
-  // Each entry: 1 int (point index j) + num_var doubles
-  int total_send = 0, total_recv = 0;
-  int *send_offset = new int[nprocs];
-  int *recv_offset = new int[nprocs];
-  for (int r = 0; r < nprocs; r++)
-  {
-    send_offset[r] = total_send;
-    total_send += send_count[r];
-    recv_offset[r] = total_recv;
-    total_recv += recv_count[r];
-  }
-
-  // Pack send buffers: each message contains (j, data[0..num_var-1]) per point
-  int stride = 1 + num_var; // 1 double for index + num_var doubles for data
-  double *sendbuf = new double[total_send * stride];
-  double *recvbuf = new double[total_recv * stride];
-
-  // Temporary counters for packing
-  int *pack_pos = new int[nprocs];
-  memset(pack_pos, 0, sizeof(int) * nprocs);
-
-  for (int j = 0; j < NN; j++)
-  {
-    int own = owner_rank[j];
-    int con = consumer_rank[j];
-    if (own != myrank || con == myrank)
-      continue;
-    int pos = (send_offset[con] + pack_pos[con]) * stride;
-    sendbuf[pos] = (double)j; // point index
-    for (int v = 0; v < num_var; v++)
-      sendbuf[pos + 1 + v] = Shellf[j * num_var + v];
-    pack_pos[con]++;
-  }
-
-  // Post non-blocking recvs and sends
-  int n_req = 0;
-  for (int r = 0; r < nprocs; r++)
-  {
-    if (recv_count[r] > 0) n_req++;
-    if (send_count[r] > 0) n_req++;
-  }
-
-  MPI_Request *reqs = new MPI_Request[n_req];
-  int req_idx = 0;
-
-  for (int r = 0; r < nprocs; r++)
-  {
-    if (recv_count[r] > 0)
-    {
-      MPI_Irecv(recvbuf + recv_offset[r] * stride,
-                recv_count[r] * stride, MPI_DOUBLE,
-                r, 0, MPI_COMM_WORLD, &reqs[req_idx++]);
-    }
-  }
-  for (int r = 0; r < nprocs; r++)
-  {
-    if (send_count[r] > 0)
-    {
-      MPI_Isend(sendbuf + send_offset[r] * stride,
-                send_count[r] * stride, MPI_DOUBLE,
-                r, 0, MPI_COMM_WORLD, &reqs[req_idx++]);
-    }
-  }
-
-  if (n_req > 0)
-    MPI_Waitall(n_req, reqs, MPI_STATUSES_IGNORE);
-
-  // Unpack recv buffers into Shellf
-  for (int i = 0; i < total_recv; i++)
-  {
-    int pos = i * stride;
-    int j = (int)recvbuf[pos];
-    for (int v = 0; v < num_var; v++)
-      Shellf[j * num_var + v] = recvbuf[pos + 1 + v];
-  }
-
-  delete[] reqs;
-  delete[] sendbuf;
-  delete[] recvbuf;
-  delete[] pack_pos;
-  delete[] send_offset;
-  delete[] recv_offset;
-  delete[] send_count;
-  delete[] recv_count;
-  delete[] consumer_rank;
-  delete[] owner_rank;
+  delete[] shellf;
+  delete[] weight;
+  delete[] Weight;
+  delete[] DH;
+  delete[] llb;
+  delete[] uub;
 }
 void Patch::Interp_Points(MyList<var> *VarList,
                           int NN, double **XX,
@@ -784,6 +562,7 @@ void Patch::Interp_Points(MyList<var> *VarList,
   int myrank, lmyrank;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
   MPI_Comm_rank(Comm_here, &lmyrank);
+
   int ordn = 2 * ghost_width;
   MyList<var> *varl;
   int num_var = 0;
@@ -794,22 +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
-  int *owner_rank;
-  owner_rank = new int[NN];
-  for (int j = 0; j < NN; j++)
-    owner_rank[j] = -1;
+  // we use weight to monitor code, later some day we can move it for optimization
+  int *weight;
+  weight = new int[NN];
+  memset(weight, 0, sizeof(int) * NN);
 
-  // Build global-to-local rank translation for Comm_here
-  MPI_Group world_group, local_group;
-  MPI_Comm_group(MPI_COMM_WORLD, &world_group);
-  MPI_Comm_group(Comm_here, &local_group);
+  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
   {
@@ -841,6 +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
@@ -865,7 +652,6 @@ void Patch::Interp_Points(MyList<var> *VarList,
       if (flag)
       {
         notfind = false;
-        owner_rank[j] = BP->rank;
         if (myrank == BP->rank)
         {
           //---> interpolation
@@ -873,11 +659,14 @@ void Patch::Interp_Points(MyList<var> *VarList,
           int k = 0;
           while (varl) // run along variables
           {
-            xh_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)
@@ -886,35 +675,97 @@ void Patch::Interp_Points(MyList<var> *VarList,
     }
   }
 
-  // Collect unique global owner ranks and translate to local ranks in Comm_here
-  // Then broadcast each owner's points via MPI_Bcast on Comm_here
-  {
-    int j = 0;
-    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);
+  MPI_Allreduce(shellf, Shellf, NN * num_var, MPI_DOUBLE, MPI_SUM, Comm_here);
+  int *Weight;
+  Weight = new int[NN];
+  MPI_Allreduce(weight, Weight, NN, MPI_INT, MPI_SUM, Comm_here);
 
-      // Find contiguous run of points with the same owner
-      int jstart = j;
-      while (j < NN && owner_rank[j] == cur_owner_global)
-        j++;
-      int count = (j - jstart) * num_var;
-      MPI_Bcast(Shellf + jstart * num_var, count, MPI_DOUBLE, cur_owner_local, Comm_here);
+  //  misc::tillherecheck("print me");
+  //  if(lmyrank == 0) cout<<"myrank = "<<myrank<<"print me"<<endl;
+
+  for (int i = 0; i < NN; i++)
+  {
+    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);
-  MPI_Group_free(&local_group);
-  delete[] owner_rank;
+  delete[] shellf;
+  delete[] weight;
+  delete[] Weight;
+  delete[] DH;
+  delete[] llb;
+  delete[] uub;
 }
 void Patch::checkBlock()
 {
@@ -1105,7 +956,7 @@ bool Patch::Interp_ONE_Point(MyList<var> *VarList, double *XX,
         {
           //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
           //	  		                                    pox,ordn,varl->data->SoA,Symmetry);
-          xh_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[k],
+          f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[k],
                           pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
           varl = varl->next;
           k++;
@@ -1207,7 +1058,7 @@ bool Patch::Interp_ONE_Point(MyList<var> *VarList, double *XX,
   // NOTE: we do not Synchnize variables here, make sure of that before calling this routine
   int myrank;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-  
+
   int ordn = 2 * ghost_width;
   MyList<var> *varl;
   int num_var = 0;
@@ -1347,7 +1198,7 @@ bool Patch::Interp_ONE_Point(MyList<var> *VarList, double *XX,
         {
           //              shellf[j*num_var+k] = Parallel::global_interp(dim,BP->shape,BP->X,BP->fgfs[varl->data->sgfn],
           //	  		                                    pox,ordn,varl->data->SoA,Symmetry);
-          xh_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[k],
+          f_global_interp(BP->shape, BP->X[0], BP->X[1], BP->X[2], BP->fgfs[varl->data->sgfn], shellf[k],
                           pox[0], pox[1], pox[2], ordn, varl->data->SoA, Symmetry);
           varl = varl->next;
           k++;

AMSS_NCKU_source/MPatch.h

@@ -39,10 +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/Parallel.C

@@ -4,7 +4,7 @@
 #include "prolongrestrict.h"
 #include "misc.h"
 #include "parameters.h"
-#include <omp.h>
+
 int Parallel::partition1(int &nx, int split_size, int min_width, int cpusize, int shape) // special for 1 diemnsion
 {
   nx = Mymax(1, shape / min_width);
@@ -3338,7 +3338,7 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
 {
   int myrank;
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-  // double time1 = omp_get_wtime();
+
   int DIM = dim;
 
   if (dir != PACK && dir != UNPACK)
@@ -3361,6 +3361,7 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
     varls = varls->next;
     varld = varld->next;
   }
+
   if (varls || varld)
   {
     cout << "error in short data packer, var lists does not match." << endl;
@@ -3374,6 +3375,7 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
     type = 2;
   else
     type = 3;
+
   while (src && dst)
   {
     if ((dir == PACK && dst->data->Bg->rank == rank_in && src->data->Bg->rank == myrank) ||
@@ -3383,7 +3385,6 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
       varld = VarListd;
       while (varls && varld)
       {
-
         if (data)
         {
           if (dir == PACK)
@@ -3404,7 +3405,6 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
               f_prolong3(DIM, src->data->Bg->bbox, src->data->Bg->bbox + dim, src->data->Bg->shape, src->data->Bg->fgfs[varls->data->sgfn],
                          dst->data->llb, dst->data->uub, dst->data->shape, data + size_out,
                          dst->data->llb, dst->data->uub, varls->data->SoA, Symmetry);
-
             }
           if (dir == UNPACK) // from target data to corresponding grid
             f_copy(DIM, dst->data->Bg->bbox, dst->data->Bg->bbox + dim, dst->data->Bg->shape, dst->data->Bg->fgfs[varld->data->sgfn],
@@ -3418,14 +3418,8 @@ int Parallel::data_packer(double *data, MyList<Parallel::gridseg> *src, MyList<P
     }
     dst = dst->next;
     src = src->next;
-
   }
-  // double time2 = omp_get_wtime();
-  // xxx += time2 - time1;
-  // if(myrank == 0){
-  // printf("prolong3 time = %lf\n", time2 - time1);
 
-  // }
   return size_out;
 }
 int Parallel::data_packermix(double *data, MyList<Parallel::gridseg> *src, MyList<Parallel::gridseg> *dst, int rank_in, int dir,
@@ -3520,7 +3514,7 @@ void Parallel::transfer(MyList<Parallel::gridseg> **src, MyList<Parallel::gridse
   MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
 
   int node;
-  // double time1 = omp_get_wtime();
+
   MPI_Request *reqs;
   MPI_Status *stats;
   reqs = new MPI_Request[2 * cpusize];
@@ -3589,9 +3583,7 @@ void Parallel::transfer(MyList<Parallel::gridseg> **src, MyList<Parallel::gridse
     if (rec_data[node])
       delete[] rec_data[node];
   }
-  // double time2 = omp_get_wtime();
-  // if (myrank == 0)
-  //   printf("transfer time = %lf\n", time2 - time1);
+
   delete[] reqs;
   delete[] stats;
   delete[] send_data;
@@ -3764,502 +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),
-      lengths_valid(false)
-{
-}
-// 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;
-  lengths_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;
-      if (!cache.lengths_valid) {
-        length = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
-        cache.recv_lengths[node] = length;
-      } else {
-        length = cache.recv_lengths[node];
-      }
-      if (length > 0)
-      {
-        if (length > cache.recv_buf_caps[node])
-        {
-          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;
-      if (!cache.lengths_valid) {
-        slength = data_packer(0, src[myrank], dst[myrank], node, PACK, VarList, VarList, Symmetry);
-        cache.send_lengths[node] = slength;
-      } else {
-        slength = cache.send_lengths[node];
-      }
-      if (slength > 0)
-      {
-        if (slength > cache.send_buf_caps[node])
-        {
-          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;
-      if (!cache.lengths_valid) {
-        rlength = data_packer(0, src[node], dst[node], node, UNPACK, VarList, VarList, Symmetry);
-        cache.recv_lengths[node] = rlength;
-      } else {
-        rlength = cache.recv_lengths[node];
-      }
-      if (rlength > 0)
-      {
-        if (rlength > cache.recv_buf_caps[node])
-        {
-          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++);
-      }
-    }
-  }
-  cache.lengths_valid = true;
-}
-// 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

@@ -81,43 +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;
-    bool lengths_valid;
-    SyncCache();
-    void invalidate();
-    void destroy();
-  };
-
-  void Sync_cached(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry, SyncCache &cache);
-  void transfer_cached(MyList<gridseg> **src, MyList<gridseg> **dst,
-                       MyList<var> *VarList1, MyList<var> *VarList2,
-                       int Symmetry, SyncCache &cache);
-
-  struct AsyncSyncState {
-    int req_no;
-    bool active;
-    AsyncSyncState() : req_no(0), active(false) {}
-  };
-
-  void Sync_start(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry,
-                  SyncCache &cache, AsyncSyncState &state);
-  void Sync_finish(SyncCache &cache, AsyncSyncState &state,
-                   MyList<var> *VarList, int Symmetry);
   void OutBdLow2Hi(Patch *Patc, Patch *Patf,
                    MyList<var> *VarList1 /* source */, MyList<var> *VarList2 /* target */,
                    int Symmetry);

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/bssn_class.C

@@ -40,7 +40,7 @@ using namespace std;
 
 #include "derivatives.h"
 #include "ricci_gamma.h"
-#include "xh_bssn_rhs_compute.h"
+
 //================================================================================================
 
 // define bssn_class
@@ -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;
@@ -2029,7 +1997,6 @@ void bssn_class::Read_Ansorg()
 void bssn_class::Evolve(int Steps)
 {
   clock_t prev_clock, curr_clock;
-  double prev_time, curr_time;
   double LastDump = 0.0, LastCheck = 0.0, Last2dDump = 0.0;
   LastAnas = 0;
 #if 0
@@ -2142,10 +2109,8 @@ void bssn_class::Evolve(int Steps)
     //     if(fabs(Porg0[0][0]-Porg0[1][0])+fabs(Porg0[0][1]-Porg0[1][1])+fabs(Porg0[0][2]-Porg0[1][2])<1e-6) 
     //     { GH->levels=GH->movls; }
 
-    if (myrank == 0){
+    if (myrank == 0)
       curr_clock = clock();
-      curr_time = omp_get_wtime();
-    }
 #if (PSTR == 0)
     RecursiveStep(0);
 #elif (PSTR == 1 || PSTR == 2 || PSTR == 3)
@@ -2201,17 +2166,12 @@ void bssn_class::Evolve(int Steps)
     if (myrank == 0)
     {
       prev_clock = curr_clock;
-      prev_time = curr_time;
       curr_clock = clock();
-      curr_time = omp_get_wtime();
       cout << endl;
-      // cout << " Timestep # " << ncount << ": integrating to time: " << PhysTime << "   "
-      //      << " Computer used " << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
-      //      << " seconds! " << endl;
-      // // cout << endl;
       cout << " Timestep # " << ncount << ": integrating to time: " << PhysTime << "   "
-            << " Computer used " << (curr_time - prev_time) 
-            << " seconds! " << endl;
+           << " Computer used " << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+           << " seconds! " << endl;
+      // cout << endl;
     }
 
     if (PhysTime >= TotalTime)
@@ -2221,7 +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))
@@ -2437,7 +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
 }
 
@@ -2616,7 +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
 }
 
@@ -2783,7 +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("");
@@ -2798,7 +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("");
@@ -2817,7 +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("");
@@ -2833,7 +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("");
@@ -3100,7 +3053,7 @@ void bssn_class::Step(int lev, int YN)
                      cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
-        if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+        if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->sgfn],
                                cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                                cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
@@ -3205,7 +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
@@ -3223,9 +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
 
@@ -3300,7 +3267,7 @@ void bssn_class::Step(int lev, int YN)
                  << cg->bbox[2] << ":" << cg->bbox[5] << ")" << endl;
             ERROR = 1;
           }
-          // cout<<"....................................."<<endl;
+
           // rk4 substep and boundary
           {
             MyList<var> *varl0 = StateList, *varl = SynchList_pre, *varlrhs = RHSList; 
@@ -3349,16 +3316,25 @@ void bssn_class::Step(int lev, int YN)
 #endif
   }
 
-  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
-  MPI_Request err_req;
+  // check error information
   {
     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_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
 
 #ifdef WithShell
   if (lev == 0)
@@ -3371,29 +3347,12 @@ void bssn_class::Step(int lev, int YN)
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used "
-           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+      cout << " Shell stuff synchronization used " 
+           << (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
@@ -3465,7 +3424,7 @@ void bssn_class::Step(int lev, int YN)
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #endif
 
-          if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+          if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi->sgfn], cg->fgfs[trK->sgfn],
                                  cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn], 
                                  cg->fgfs[gyy->sgfn], cg->fgfs[gyz->sgfn], cg->fgfs[gzz->sgfn],
@@ -3569,7 +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
@@ -3587,9 +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)
@@ -3709,16 +3685,26 @@ void bssn_class::Step(int lev, int YN)
         sPp = sPp->next;
       }
     }
-    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
-    MPI_Request err_req_cor;
+    // check error information
     {
       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_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
 
 #ifdef WithShell
     if (lev == 0)
@@ -3731,31 +3717,12 @@ void bssn_class::Step(int lev, int YN)
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used "
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+        cout << " Shell stuff synchronization used " 
+             << (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
@@ -3978,7 +3945,7 @@ void bssn_class::Step(int lev, int YN)
                      cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
-        if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+        if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->sgfn],
                                cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                                cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
@@ -4067,7 +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
@@ -4085,15 +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::gy],
+                                    cg->fgfs[fngfs + ShellPatch::gx], 
+                                    cg->fgfs[fngfs + ShellPatch::gy], 
                                     cg->fgfs[fngfs + ShellPatch::gz],
                                     cg->fgfs[fngfs + ShellPatch::drhodx], 
                                     cg->fgfs[fngfs + ShellPatch::drhody], 
@@ -4208,16 +4190,25 @@ void bssn_class::Step(int lev, int YN)
   }
 #endif
   }
-  // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
-  MPI_Request err_req;
+  // check error information
   {
     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_start(GH->PatL[lev], SynchList_pre, Symmetry, sync_cache_pre[lev], async_pre);
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
 
 #ifdef WithShell
   if (lev == 0)
@@ -4230,27 +4221,9 @@ void bssn_class::Step(int lev, int YN)
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used "
-           << (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);
+      cout << " Shell stuff synchronization used " 
+      << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC) 
+      << " seconds! " << endl;
     }
   }
 #endif
@@ -4320,7 +4293,7 @@ void bssn_class::Step(int lev, int YN)
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #endif
 
-          if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+          if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi->sgfn], cg->fgfs[trK->sgfn],
                                  cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn], 
                                  cg->fgfs[gyy->sgfn], cg->fgfs[gyz->sgfn], cg->fgfs[gzz->sgfn],
@@ -4413,7 +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
@@ -4431,9 +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)
@@ -4553,16 +4542,25 @@ void bssn_class::Step(int lev, int YN)
         sPp = sPp->next;
       }
     }
-    // Non-blocking error reduction overlapped with Sync to hide Allreduce latency
-    MPI_Request err_req_cor;
+    // check error information
     {
       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_start(GH->PatL[lev], SynchList_cor, Symmetry, sync_cache_cor[lev], async_cor);
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
 
 #ifdef WithShell
     if (lev == 0)
@@ -4575,30 +4573,11 @@ void bssn_class::Step(int lev, int YN)
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used "
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+        cout << " Shell stuff synchronization used " 
+             << (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)
@@ -4856,7 +4835,7 @@ void bssn_class::Step(int lev, int YN)
                      cg->fgfs[Ayy0->sgfn], cg->fgfs[Ayz0->sgfn], cg->fgfs[Azz0->sgfn]);
 #endif
 
-        if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+        if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->sgfn],
                                cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                                cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
@@ -4964,19 +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
-  MPI_Request err_req;
+  // check error information
   {
     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);
@@ -4988,6 +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)
@@ -5056,7 +5031,7 @@ void bssn_class::Step(int lev, int YN)
                          cg->fgfs[Ayy->sgfn], cg->fgfs[Ayz->sgfn], cg->fgfs[Azz->sgfn]);
 #endif
 
-          if (f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+          if (f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi->sgfn], cg->fgfs[trK->sgfn],
                                  cg->fgfs[gxx->sgfn], cg->fgfs[gxy->sgfn], cg->fgfs[gxz->sgfn], 
                                  cg->fgfs[gyy->sgfn], cg->fgfs[gyz->sgfn], cg->fgfs[gzz->sgfn],
@@ -5165,34 +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
-    MPI_Request err_req_cor;
+    // check error information
     {
       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
-                                << " variables at t = " << PhysTime
+          ErrorMonitor->outfile << "find NaN in RK4 substep#" << iter_count 
+                                << " 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)
@@ -5476,11 +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
-  MPI_Request err_req;
+  // check error information
   {
     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);
+    }
   }
 
   {
@@ -5492,25 +5473,12 @@ void bssn_class::SHStep()
     {
       prev_clock = curr_clock;
       curr_clock = clock();
-      cout << " Shell stuff synchronization used "
-           << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+      cout << " Shell stuff synchronization used " 
+           << (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++)
   {
@@ -5653,11 +5621,21 @@ void bssn_class::SHStep()
         sPp = sPp->next;
       }
     }
-    // Non-blocking error reduction overlapped with Synch to hide Allreduce latency
-    MPI_Request err_req_cor;
+    // check error information
     {
       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);
+      }
     }
 
     {
@@ -5669,26 +5647,12 @@ void bssn_class::SHStep()
       {
         prev_clock = curr_clock;
         curr_clock = clock();
-        cout << " Shell stuff synchronization used "
-             << (double)(curr_clock - prev_clock) / ((double)CLOCKS_PER_SEC)
+        cout << " Shell stuff synchronization used " 
+             << (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)
     {
@@ -5817,7 +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();
@@ -5878,7 +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();
@@ -5916,7 +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();
@@ -5974,7 +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];
@@ -6006,7 +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];
@@ -6030,7 +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);
   }
 }
 
@@ -6081,7 +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];
@@ -6115,7 +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];
@@ -6139,7 +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);
   }
 }
 
@@ -6222,10 +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
@@ -7351,7 +7315,7 @@ void bssn_class::Constraint_Out()
             Block *cg = BP->data;
             if (myrank == cg->rank)
             {
-              f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+              f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi0->sgfn], cg->fgfs[trK0->sgfn],
                                  cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                                  cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
@@ -7854,7 +7818,7 @@ void bssn_class::Interp_Constraint(bool infg)
             Block *cg = BP->data;
             if (myrank == cg->rank)
             {
-              f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+              f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                  cg->fgfs[phi0->sgfn], cg->fgfs[trK0->sgfn],
                                  cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                                  cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],
@@ -8112,7 +8076,7 @@ void bssn_class::Compute_Constraint()
           Block *cg = BP->data;
           if (myrank == cg->rank)
           {
-            f_compute_rhs_bssn_xh(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
+            f_compute_rhs_bssn(cg->shape, TRK4, cg->X[0], cg->X[1], cg->X[2],
                                cg->fgfs[phi0->sgfn], cg->fgfs[trK0->sgfn],
                                cg->fgfs[gxx0->sgfn], cg->fgfs[gxy0->sgfn], cg->fgfs[gxz0->sgfn], 
                                cg->fgfs[gyy0->sgfn], cg->fgfs[gyz0->sgfn], cg->fgfs[gzz0->sgfn],

AMSS_NCKU_source/bssn_class.h

@@ -126,11 +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_rhs.f90

@@ -106,6 +106,36 @@
   call getpbh(BHN,Porg,Mass)
 #endif
 
+!!! sanity check
+  dX = sum(chi)+sum(trK)+sum(dxx)+sum(gxy)+sum(gxz)+sum(dyy)+sum(gyz)+sum(dzz) &
+      +sum(Axx)+sum(Axy)+sum(Axz)+sum(Ayy)+sum(Ayz)+sum(Azz)                   &
+      +sum(Gamx)+sum(Gamy)+sum(Gamz)                                           &
+      +sum(Lap)+sum(betax)+sum(betay)+sum(betaz)
+  if(dX.ne.dX) then
+     if(sum(chi).ne.sum(chi))write(*,*)"bssn.f90: find NaN in chi"
+     if(sum(trK).ne.sum(trK))write(*,*)"bssn.f90: find NaN in trk"
+     if(sum(dxx).ne.sum(dxx))write(*,*)"bssn.f90: find NaN in dxx"
+     if(sum(gxy).ne.sum(gxy))write(*,*)"bssn.f90: find NaN in gxy"
+     if(sum(gxz).ne.sum(gxz))write(*,*)"bssn.f90: find NaN in gxz"
+     if(sum(dyy).ne.sum(dyy))write(*,*)"bssn.f90: find NaN in dyy"
+     if(sum(gyz).ne.sum(gyz))write(*,*)"bssn.f90: find NaN in gyz"
+     if(sum(dzz).ne.sum(dzz))write(*,*)"bssn.f90: find NaN in dzz"
+     if(sum(Axx).ne.sum(Axx))write(*,*)"bssn.f90: find NaN in Axx"
+     if(sum(Axy).ne.sum(Axy))write(*,*)"bssn.f90: find NaN in Axy"
+     if(sum(Axz).ne.sum(Axz))write(*,*)"bssn.f90: find NaN in Axz"
+     if(sum(Ayy).ne.sum(Ayy))write(*,*)"bssn.f90: find NaN in Ayy"
+     if(sum(Ayz).ne.sum(Ayz))write(*,*)"bssn.f90: find NaN in Ayz"
+     if(sum(Azz).ne.sum(Azz))write(*,*)"bssn.f90: find NaN in Azz"
+     if(sum(Gamx).ne.sum(Gamx))write(*,*)"bssn.f90: find NaN in Gamx"
+     if(sum(Gamy).ne.sum(Gamy))write(*,*)"bssn.f90: find NaN in Gamy"
+     if(sum(Gamz).ne.sum(Gamz))write(*,*)"bssn.f90: find NaN in Gamz"
+     if(sum(Lap).ne.sum(Lap))write(*,*)"bssn.f90: find NaN in Lap"
+     if(sum(betax).ne.sum(betax))write(*,*)"bssn.f90: find NaN in betax"
+     if(sum(betay).ne.sum(betay))write(*,*)"bssn.f90: find NaN in betay"
+     if(sum(betaz).ne.sum(betaz))write(*,*)"bssn.f90: find NaN in betaz"
+     gont = 1
+     return
+  endif
 
   PI = dacos(-ONE)
 
@@ -602,7 +632,7 @@
   gxxx = (gupxx * chix + gupxy * chiy + gupxz * chiz)/chin1
   gxxy = (gupxy * chix + gupyy * chiy + gupyz * chiz)/chin1
   gxxz = (gupxz * chix + gupyz * chiy + gupzz * chiz)/chin1
-
+! now get physical second kind of connection
   Gamxxx = Gamxxx - ( (chix + chix)/chin1 - gxx * gxxx )*HALF
   Gamyxx = Gamyxx - (                     - gxx * gxxy )*HALF
   Gamzxx = Gamzxx - (                     - gxx * gxxz )*HALF

AMSS_NCKU_source/enforce_algebra.f90

@@ -18,61 +18,49 @@
   real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
 
 !~~~~~~~> Local variable:
-
-  integer :: i,j,k
-  real*8 :: lgxx,lgyy,lgzz,ldetg
-  real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
-  real*8 :: ltrA,lscale
+  
+  real*8, dimension(ex(1),ex(2),ex(3)) :: trA,detg
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz 
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
   real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
 
 !~~~~~~>
 
-  do k=1,ex(3)
-  do j=1,ex(2)
-  do i=1,ex(1)
+  gxx = dxx + ONE
+  gyy = dyy + ONE
+  gzz = dzz + ONE
 
-    lgxx = dxx(i,j,k) + ONE
-    lgyy = dyy(i,j,k) + ONE
-    lgzz = dzz(i,j,k) + ONE
+  detg =  gxx * gyy * gzz + gxy * gyz * gxz + gxz * gxy * gyz - &
+          gxz * gyy * gxz - gxy * gxy * gzz - gxx * gyz * gyz
+  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 &
-           + gxy(i,j,k) * gyz(i,j,k) * gxz(i,j,k) &
-           + 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)
+  trA =         gupxx * Axx + gupyy * Ayy + gupzz * Azz &
+       + TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
 
-    lgupxx =   ( lgyy * lgzz - gyz(i,j,k) * gyz(i,j,k) ) / ldetg
-    lgupxy = - ( gxy(i,j,k) * lgzz - gyz(i,j,k) * gxz(i,j,k) ) / ldetg
-    lgupxz =   ( gxy(i,j,k) * gyz(i,j,k) - lgyy * gxz(i,j,k) ) / ldetg
-    lgupyy =   ( lgxx * lgzz - gxz(i,j,k) * gxz(i,j,k) ) / ldetg
-    lgupyz = - ( lgxx * gyz(i,j,k) - gxy(i,j,k) * gxz(i,j,k) ) / ldetg
-    lgupzz =   ( lgxx * lgyy - gxy(i,j,k) * gxy(i,j,k) ) / ldetg
+  Axx = Axx - F1o3 * gxx * trA
+  Axy = Axy - F1o3 * gxy * trA
+  Axz = Axz - F1o3 * gxz * trA
+  Ayy = Ayy - F1o3 * gyy * trA
+  Ayz = Ayz - F1o3 * gyz * trA
+  Azz = Azz - F1o3 * gzz * trA
 
-    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))
+  detg = ONE / ( detg ** F1o3 ) 
+  
+  gxx = gxx * detg
+  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
-    Axy(i,j,k) = Axy(i,j,k) - F1o3 * gxy(i,j,k) * ltrA
-    Axz(i,j,k) = Axz(i,j,k) - F1o3 * gxz(i,j,k) * ltrA
-    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
+  dxx = gxx - ONE
+  dyy = gyy - ONE
+  dzz = gzz - ONE
 
   return
 
@@ -94,71 +82,51 @@
   real*8, dimension(ex(1),ex(2),ex(3)), intent(inout) :: Ayy,Ayz,Azz
 
 !~~~~~~~> Local variable:
-
-  integer :: i,j,k
-  real*8 :: lgxx,lgyy,lgzz,lscale
-  real*8 :: lgxy,lgxz,lgyz
-  real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
-  real*8 :: ltrA
+  
+  real*8, dimension(ex(1),ex(2),ex(3)) :: trA
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz 
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
   real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
 
 !~~~~~~>
 
-  do k=1,ex(3)
-  do j=1,ex(2)
-  do i=1,ex(1)
+  gxx = dxx + ONE
+  gyy = dyy + ONE
+  gzz = dzz + ONE
+! 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
-    lgxx = dxx(i,j,k) + ONE
-    lgyy = dyy(i,j,k) + ONE
-    lgzz = dzz(i,j,k) + ONE
-    lgxy = gxy(i,j,k)
-    lgxz = gxz(i,j,k)
-    lgyz = gyz(i,j,k)
+  gupzz = ONE / ( gupzz ** F1o3 ) 
+  
+  gxx = gxx * gupzz
+  gxy = gxy * gupzz
+  gxz = gxz * gupzz
+  gyy = gyy * gupzz
+  gyz = gyz * gupzz
+  gzz = gzz * gupzz
 
-    lscale =  lgxx * lgyy * lgzz + lgxy * lgyz * lgxz &
-            + lgxz * lgxy * lgyz - lgxz * lgyy * lgxz &
-            - lgxy * lgxy * lgzz - lgxx * lgyz * lgyz
+  dxx = gxx - ONE
+  dyy = gyy - ONE
+  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
-    lgxy = lgxy * lscale
-    lgxz = lgxz * lscale
-    lgyy = lgyy * lscale
-    lgyz = lgyz * lscale
-    lgzz = lgzz * lscale
+  trA =         gupxx * Axx + gupyy * Ayy + gupzz * Azz &
+       + TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
 
-    dxx(i,j,k) = lgxx - ONE
-    gxy(i,j,k) = lgxy
-    gxz(i,j,k) = lgxz
-    dyy(i,j,k) = lgyy - ONE
-    gyz(i,j,k) = lgyz
-    dzz(i,j,k) = lgzz - ONE
-
-! 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
+  Axx = Axx - F1o3 * gxx * trA
+  Axy = Axy - F1o3 * gxy * trA
+  Axz = Axz - F1o3 * gxz * trA
+  Ayy = Ayy - F1o3 * gyy * trA
+  Ayz = Ayz - F1o3 * gyz * trA
+  Azz = Azz - F1o3 * gzz * trA
 
   return
 

AMSS_NCKU_source/extention/include/xh_bssn_rhs_compute.h

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

AMSS_NCKU_source/extention/include/xh_macrodef.h

@@ -1,66 +0,0 @@
-/* tetrad notes
-   v:r; u: phi; w: theta
-
-   tetradtype 0
-   v^a = (x,y,z)
-   orthonormal order: v,u,w
-   m = (phi - i theta)/sqrt(2) following Frans, Eq.(8) of  PRD 75, 124018(2007)
-
-   tetradtype 1
-   orthonormal order: w,u,v
-   m = (theta + i phi)/sqrt(2) following Sperhake, Eq.(3.2) of  PRD 85, 124062(2012)
-
-   tetradtype 2
-   v_a = (x,y,z)
-   orthonormal order: v,u,w
-   m = (phi - i theta)/sqrt(2) following Frans, Eq.(8) of  PRD 75, 124018(2007)
-*/
-#define tetradtype 2
-
-/* Cell center or Vertex center */
-#define Cell
-
-/* ghost_width meaning:
-   2nd order: 2
-   4th order: 3
-   6th order: 4
-   8th order: 5
-*/
-#define ghost_width 3
-
-/* use shell or not */
-#define WithShell
-
-/* use constraint preserving boundary condition or not
-   only affect Z4c
-*/
-#define CPBC
-
-/* Gauge condition type
-   0: B^i gauge
-   1: David's puncture gauge
-   2: MB B^i gauge
-   3: RIT B^i gauge
-   4: MB beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
-   5: RIT beta gauge (beta gauge not means Eq.(3) of PRD 84, 124006)
-   6: MGB1 B^i gauge
-   7: MGB2 B^i gauge
-*/
-#define GAUGE 2
-
-/* buffer points for CPBC boundary */
-#define CPBC_ghost_width (ghost_width)
-
-/* using BSSN variable for constraint violation and psi4 calculation: 0
-   using ADM variable for constraint violation and psi4 calculation: 1
-*/
-#define ABV 0
-
-/* Type of Potential and Scalar Distribution in F(R) Scalar-Tensor Theory
-   1: Case C of 1112.3928, V=0
-   2: shell with a2^2*phi0/(1+a2^2), f(R) = R+a2*R^2 induced V
-   3: ground state of Schrodinger-Newton system, f(R) = R+a2*R^2 induced V
-   4: a2 = infinity and phi(r) = phi0 * 0.5 * ( tanh((r+r0)/sigma) - tanh((r-r0)/sigma) )
-   5: shell with phi(r) = phi0*Exp(-(r-r0)**2/sigma), V = 0
-*/
-#define EScalar_CC 2

AMSS_NCKU_source/extention/include/xh_share_func.h

@@ -1,338 +0,0 @@
-#ifndef SHARE_FUNC_H
-#define SHARE_FUNC_H
-
-#include <stdlib.h>
-#include <stddef.h>
-#include <math.h>
-#include <stdio.h>
-#include <omp.h>
-/* 主网格：0-based -> 1D */
-static inline size_t idx_ex(int i0, int j0, int k0, const int ex[3]) {
-    const int ex1 = ex[0], ex2 = ex[1];
-    return (size_t)i0 + (size_t)j0 * (size_t)ex1 + (size_t)k0 * (size_t)ex1 * (size_t)ex2;
-}
-
-/*
- * fh 对应 Fortran: fh(-1:ex1, -1:ex2, -1:ex3)
- * ord=2 => shift=1
- * iF/jF/kF 为 Fortran 索引（可为 -1,0,1..ex）
- */
-static inline size_t idx_fh_F_ord2(int iF, int jF, int kF, const int ex[3]) {
-    const int shift = 1;
-    const int nx = ex[0] + 2;      // ex1 + ord
-    const int ny = ex[1] + 2;
-
-    const int ii = iF + shift;     // 0..ex1+1
-    const int jj = jF + shift;     // 0..ex2+1
-    const int kk = kF + shift;     // 0..ex3+1
-
-    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
-}
-
-/*
- * fh 对应 Fortran: fh(-2:ex1, -2:ex2, -2:ex3)
- * ord=3 => shift=2
- * iF/jF/kF 是 Fortran 索引（可为负）
- */
-static inline size_t idx_fh_F(int iF, int jF, int kF, const int ex[3]) {
-    const int shift = 2;                 // ord=3 -> -2..ex
-    const int nx = ex[0] + 3;            // ex1 + ord
-    const int ny = ex[1] + 3;
-
-    const int ii = iF + shift;           // 0..ex1+2
-    const int jj = jF + shift;           // 0..ex2+2
-    const int kk = kF + shift;           // 0..ex3+2
-
-    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
-}
-
-/*
- * func:  (1..extc1, 1..extc2, 1..extc3)   1-based in Fortran
- * funcc: (-ord+1..extc1, -ord+1..extc2, -ord+1..extc3) in Fortran
- *
- * C 里我们把：
- *   func  视为 0-based: i0=0..extc1-1, j0=0..extc2-1, k0=0..extc3-1
- *   funcc 用“平移下标”存为一维数组：
- *     iF in [-ord+1..extc1]  -> ii = iF + (ord-1)  in [0..extc1+ord-1]
- *     总长度 nx = extc1 + ord
- *     同理 ny = extc2 + ord, nz = extc3 + ord
- */
-
-static inline size_t idx_func0(int i0, int j0, int k0, const int extc[3]) {
-    const int nx = extc[0], ny = extc[1];
-    return (size_t)i0 + (size_t)j0 * (size_t)nx + (size_t)k0 * (size_t)nx * (size_t)ny;
-}
-
-static inline size_t idx_funcc_F(int iF, int jF, int kF, int ord, const int extc[3]) {
-    const int shift = ord - 1;          // iF = -shift .. extc1
-    const int nx = extc[0] + ord;       // [-shift..extc1] 共 extc1+ord 个
-    const int ny = extc[1] + ord;
-
-    const int ii = iF + shift;          // 0..extc1+shift
-    const int jj = jF + shift;          // 0..extc2+shift
-    const int kk = kF + shift;          // 0..extc3+shift
-
-    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
-}
-
-/*
- * 等价于 Fortran:
- * funcc(1:extc1,1:extc2,1:extc3)=func
- * do i=0,ord-1
- *   funcc(-i,1:extc2,1:extc3) = funcc(i+1,1:extc2,1:extc3)*SoA(1)
- * enddo
- * do i=0,ord-1
- *   funcc(:,-i,1:extc3) = funcc(:,i+1,1:extc3)*SoA(2)
- * enddo
- * do i=0,ord-1
- *   funcc(:,:,-i) = funcc(:,:,i+1)*SoA(3)
- * enddo
- */
-static inline void symmetry_bd(int ord,
-                 const int extc[3],
-                 const double *func,
-                 double *funcc,
-                 const double SoA[3])
-{
-    const int extc1 = extc[0], extc2 = extc[1], extc3 = extc[2];
-
-    // 1) funcc(1:extc1,1:extc2,1:extc3) = func
-    // Fortran 的 (iF=1..extc1) 对应 C 的 func(i0=0..extc1-1)
-    for (int k0 = 0; k0 < extc3; ++k0) {
-        for (int j0 = 0; j0 < extc2; ++j0) {
-            for (int i0 = 0; i0 < extc1; ++i0) {
-                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1;
-                funcc[idx_funcc_F(iF, jF, kF, ord, extc)] = func[idx_func0(i0, j0, k0, extc)];
-            }
-        }
-    }
-
-    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
-    for (int ii = 0; ii <= ord - 1; ++ii) {
-        const int iF_dst = -ii;       // 0, -1, -2, ...
-        const int iF_src = ii + 1;    // 1, 2, 3, ...
-        for (int kF = 1; kF <= extc3; ++kF) {
-            for (int jF = 1; jF <= extc2; ++jF) {
-                funcc[idx_funcc_F(iF_dst, jF, kF, ord, extc)] =
-                    funcc[idx_funcc_F(iF_src, jF, kF, ord, extc)] * SoA[0];
-            }
-        }
-    }
-
-    // 3) do i=0..ord-1: funcc(:,-i, 1:extc3) = funcc(:, i+1, 1:extc3)*SoA(2)
-    // 注意 Fortran 这里的 ":" 表示 iF 从 (-ord+1..extc1) 全覆盖
-    for (int jj = 0; jj <= ord - 1; ++jj) {
-        const int jF_dst = -jj;
-        const int jF_src = jj + 1;
-        for (int kF = 1; kF <= extc3; ++kF) {
-            for (int iF = -ord + 1; iF <= extc1; ++iF) {
-                funcc[idx_funcc_F(iF, jF_dst, kF, ord, extc)] =
-                    funcc[idx_funcc_F(iF, jF_src, kF, ord, extc)] * SoA[1];
-            }
-        }
-    }
-
-    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
-    for (int kk = 0; kk <= ord - 1; ++kk) {
-        const int kF_dst = -kk;
-        const int kF_src = kk + 1;
-        for (int jF = -ord + 1; jF <= extc2; ++jF) {
-            for (int iF = -ord + 1; iF <= extc1; ++iF) {
-                funcc[idx_funcc_F(iF, jF, kF_dst, ord, extc)] =
-                    funcc[idx_funcc_F(iF, jF, kF_src, ord, extc)] * SoA[2];
-            }
-        }
-    }
-}
-#endif
-
-/* 你已有的函数：idx_ex / idx_fh_F_ord2 以及 fh 的布局 */
-static inline void fdderivs_xh(
-    int i0, int j0, int k0,
-    const int ex[3],
-    const double *fh,
-    int iminF, int jminF, int kminF,
-    int imaxF, int jmaxF, int kmaxF,
-    double Fdxdx, double Fdydy, double Fdzdz,
-    double Fdxdy, double Fdxdz, double Fdydz,
-    double Sdxdx, double Sdydy, double Sdzdz,
-    double Sdxdy, double Sdxdz, double Sdydz,
-    double *fxx, double *fxy, double *fxz,
-    double *fyy, double *fyz, double *fzz
-){
-    const double F8  = 8.0;
-    const double F16 = 16.0;
-    const double F30 = 30.0;
-    const double TWO = 2.0;
-
-    const int iF = i0 + 1;
-    const int jF = j0 + 1;
-    const int kF = k0 + 1;
-
-    const size_t p = idx_ex(i0, j0, k0, ex);
-
-    /* 高阶分支：i±2,j±2,k±2 都在范围内 */
-    if ((iF + 2) <= imaxF && (iF - 2) >= iminF &&
-        (jF + 2) <= jmaxF && (jF - 2) >= jminF &&
-        (kF + 2) <= kmaxF && (kF - 2) >= kminF)
-    {
-        fxx[p] = Fdxdx * (
-            -fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-             F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-             fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-        );
-
-        fyy[p] = Fdydy * (
-            -fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-             F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-             fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-        );
-
-        fzz[p] = Fdzdz * (
-            -fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-             F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-             fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-        );
-
-        /* fxy 高阶 */
-        {
-            const double t_jm2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF - 2, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF - 2, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF - 2, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF - 2, kF, ex)] );
-
-            const double t_jm1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF - 1, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF - 1, kF, ex)] );
-
-            const double t_jp1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF + 1, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF + 1, kF, ex)] );
-
-            const double t_jp2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF + 2, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF + 2, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF + 2, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF + 2, kF, ex)] );
-
-            fxy[p] = Fdxdy * ( t_jm2 - F8 * t_jm1 + F8 * t_jp1 - t_jp2 );
-        }
-
-        /* fxz 高阶 */
-        {
-            const double t_km2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 2, ex)] );
-
-            const double t_km1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 1, ex)] );
-
-            const double t_kp1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 1, ex)] );
-
-            const double t_kp2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 2, ex)] );
-
-            fxz[p] = Fdxdz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-        }
-
-        /* fyz 高阶 */
-        {
-            const double t_km2 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 2, ex)] );
-
-            const double t_km1 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 1, ex)] );
-
-            const double t_kp1 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 1, ex)] );
-
-            const double t_kp2 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 2, ex)] );
-
-            fyz[p] = Fdydz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-        }
-    }
-    /* 二阶分支：i±1,j±1,k±1 在范围内 */
-    else if ((iF + 1) <= imaxF && (iF - 1) >= iminF &&
-             (jF + 1) <= jmaxF && (jF - 1) >= jminF &&
-             (kF + 1) <= kmaxF && (kF - 1) >= kminF)
-    {
-        fxx[p] = Sdxdx * (
-            fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-            TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-            fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-        );
-
-        fyy[p] = Sdydy * (
-            fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-            TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-            fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-        );
-
-        fzz[p] = Sdzdz * (
-            fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-            TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-            fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-        );
-
-        fxy[p] = Sdxdy * (
-            fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)] -
-            fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)] -
-            fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)] +
-            fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-        );
-
-        fxz[p] = Sdxdz * (
-            fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)] +
-            fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-        );
-
-        fyz[p] = Sdydz * (
-            fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)] +
-            fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-        );
-    }
-    else {
-        fxx[p] = 0.0; fyy[p] = 0.0; fzz[p] = 0.0;
-        fxy[p] = 0.0; fxz[p] = 0.0; fyz[p] = 0.0;
-    }
-}

AMSS_NCKU_source/extention/include/xh_tool.h

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

AMSS_NCKU_source/extention/src/fdderivs-fast.c

@@ -1,311 +0,0 @@
-#include "../include/tool.h"
-void fdderivs(const int ex[3],
-              const double *f,
-              double *fxx, double *fxy, double *fxz,
-              double *fyy, double *fyz, double *fzz,
-              const double *X, const double *Y, const double *Z,
-              double SYM1, double SYM2, double SYM3,
-              int Symmetry, int onoff)
-{
-    (void)onoff;
-    const int NO_SYMM = 0, EQ_SYMM = 1;
-    const double ZEO = 0.0, ONE = 1.0, TWO = 2.0;
-    const double F1o4   = 2.5e-1;          // 1/4
-    const double F8     = 8.0;
-    const double F16    = 16.0;
-    const double F30    = 30.0;
-    const double F1o12  = ONE / 12.0;
-    const double F1o144 = ONE / 144.0;
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-
-    const int imaxF = ex1;
-    const int jmaxF = ex2;
-    const int kmaxF = ex3;
-
-    int iminF = 1, jminF = 1, kminF = 1;
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -1;
-
-
-    /* fh: (ex1+2)*(ex2+2)*(ex3+2) because ord=2 */
-    const size_t nx = (size_t)ex1 + 2;
-    const size_t ny = (size_t)ex2 + 2;
-    const size_t nz = (size_t)ex3 + 2;
-    const size_t fh_size = nx * ny * nz;
-
-    /* 系数：按 Fortran 原式 */
-    const double Sdxdx = ONE / (dX * dX);
-    const double Sdydy = ONE / (dY * dY);
-    const double Sdzdz = ONE / (dZ * dZ);
-
-    const double Fdxdx = F1o12 / (dX * dX);
-    const double Fdydy = F1o12 / (dY * dY);
-    const double Fdzdz = F1o12 / (dZ * dZ);
-
-    const double Sdxdy = F1o4 / (dX * dY);
-    const double Sdxdz = F1o4 / (dX * dZ);
-    const double Sdydz = F1o4 / (dY * dZ);
-
-    const double Fdxdy = F1o144 / (dX * dY);
-    const double Fdxdz = F1o144 / (dX * dZ);
-    const double Fdydz = F1o144 / (dY * dZ);
-
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    // double *fh = (double*)malloc(fh_size * sizeof(double));
-    if (!fh) return;
-
-    // symmetry_bd(2, ex, f, fh, SoA);
-    const double SoA[3] = { SYM1, SYM2, SYM3 };
-
-    for (int k0 = 0; k0 < ex[2]; ++k0) {
-        for (int j0 = 0; j0 < ex[1]; ++j0) {
-            for (int i0 = 0; i0 < ex[0]; ++i0) {
-                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
-                fh[idx_funcc_F(iF, jF, kF, 2, ex)] = f[idx_func0(i0, j0, k0, ex)];
-            }
-        }
-    }
-
-    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
-    for (int ii = 0; ii <= 2 - 1; ++ii) {
-        const int iF_dst = -ii;       // 0, -1, -2, ...
-        const int iF_src = ii + 1;    // 1, 2, 3, ...
-        for (int kF = 1; kF <= ex[2]; ++kF) {
-            for (int jF = 1; jF <= ex[1]; ++jF) {
-                fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
-                    fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * SoA[0];
-            }
-        }
-    }
-
-    // 3) do i=0..ord-1: funcc(:,-i, 1:extc3) = funcc(:, i+1, 1:extc3)*SoA(2)
-    // 注意 Fortran 这里的 ":" 表示 iF 从 (-ord+1..extc1) 全覆盖
-    for (int jj = 0; jj <= 2 - 1; ++jj) {
-        const int jF_dst = -jj;
-        const int jF_src = jj + 1;
-        for (int kF = 1; kF <= ex[2]; ++kF) {
-            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
-                    fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
-            }
-        }
-    }
-
-    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
-    for (int kk = 0; kk <= 2 - 1; ++kk) {
-        const int kF_dst = -kk;
-        const int kF_src = kk + 1;
-        for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
-            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
-                    fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
-            }
-        }
-    }
-    /* 输出清零：fxx,fyy,fzz,fxy,fxz,fyz = 0 */
-    // const size_t all = (size_t)ex1 * (size_t)ex2 * (size_t)ex3;
-    // for (size_t p = 0; p < all; ++p) {
-    //     fxx[p] = ZEO; fyy[p] = ZEO; fzz[p] = ZEO;
-    //     fxy[p] = ZEO; fxz[p] = ZEO; fyz[p] = ZEO;
-    // }
-
-    /*
-     * Fortran:
-     * do k=1,ex3-1
-     * do j=1,ex2-1
-     * do i=1,ex1-1
-     */
-    
-    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                const int iF = i0 + 1;
-                const size_t p = idx_ex(i0, j0, k0, ex);
-
-                /* 高阶分支：i±2,j±2,k±2 都在范围内 */
-                if ((iF + 2) <= imaxF && (iF - 2) >= iminF &&
-                    (jF + 2) <= jmaxF && (jF - 2) >= jminF &&
-                    (kF + 2) <= kmaxF && (kF - 2) >= kminF)
-                {
-                    fxx[p] = Fdxdx * (
-                        -fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fyy[p] = Fdydy * (
-                        -fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fzz[p] = Fdzdz * (
-                        -fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-
-                    /* fxy 高阶：完全照搬 Fortran 的括号结构 */
-                    {
-                        const double t_jm2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF - 2, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 2, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 2, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF - 2, kF, ex)] );
-
-                        const double t_jm1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF - 1, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF - 1, kF, ex)] );
-
-                        const double t_jp1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF + 1, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF + 1, kF, ex)] );
-
-                        const double t_jp2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF + 2, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 2, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 2, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF + 2, kF, ex)] );
-
-                        fxy[p] = Fdxdy * ( t_jm2 - F8 * t_jm1 + F8 * t_jp1 - t_jp2 );
-                    }
-
-                    /* fxz 高阶 */
-                    {
-                        const double t_km2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 2, ex)] );
-
-                        const double t_km1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 1, ex)] );
-
-                        const double t_kp1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 1, ex)] );
-
-                        const double t_kp2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 2, ex)] );
-
-                        fxz[p] = Fdxdz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-                    }
-
-                    /* fyz 高阶 */
-                    {
-                        const double t_km2 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 2, ex)] );
-
-                        const double t_km1 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 1, ex)] );
-
-                        const double t_kp1 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 1, ex)] );
-
-                        const double t_kp2 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 2, ex)] );
-
-                        fyz[p] = Fdydz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-                    }
-                }
-                /* 二阶分支：i±1,j±1,k±1 在范围内 */
-                else if ((iF + 1) <= imaxF && (iF - 1) >= iminF &&
-                         (jF + 1) <= jmaxF && (jF - 1) >= jminF &&
-                         (kF + 1) <= kmaxF && (kF - 1) >= kminF)
-                {
-                    fxx[p] = Sdxdx * (
-                        fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fyy[p] = Sdydy * (
-                        fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fzz[p] = Sdzdz * (
-                        fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-
-                    fxy[p] = Sdxdy * (
-                        fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)] -
-                        fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)] -
-                        fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                    );
-
-                    fxz[p] = Sdxdz * (
-                        fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                    );
-
-                    fyz[p] = Sdydz * (
-                        fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)] +
-                        fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                    );
-                }else{
-                    fxx[p] = 0.0;
-                    fyy[p] = 0.0;
-                    fzz[p] = 0.0;
-                    fxy[p] = 0.0;
-                    fxz[p] = 0.0;
-                    fyz[p] = 0.0;
-                }
-            }
-        }
-    }
-    // free(fh);
-}

AMSS_NCKU_source/extention/src/main.c

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

AMSS_NCKU_source/extention/src/new.c

@@ -1,65 +0,0 @@
-        SoA[0] = SYM, SoA[1] = SYM, SoA[2] = SYM;
-        #pragma omp for collapse(3)
-        for (int k0 = 0; k0 < ex[2]; ++k0) {
-            for (int j0 = 0; j0 < ex[1]; ++j0) {
-                for (int i0 = 0; i0 < ex[0]; ++i0) {
-                    const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
-                    fh[idx_funcc_F(iF, jF, kF, 2, ex)] = Lap[idx_func0(i0, j0, k0, ex)];
-                }
-            }
-        }
-
-        // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
-        #pragma omp for collapse(3)
-        for (int ii = 0; ii <= 2 - 1; ++ii) {
-            const int iF_dst = -ii;       // 0, -1, -2, ...
-            const int iF_src = ii + 1;    // 1, 2, 3, ...
-            for (int kF = 1; kF <= ex[2]; ++kF) {
-                for (int jF = 1; jF <= ex[1]; ++jF) {
-                    fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
-                        fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * SoA[0];
-                }
-            }
-        }
-
-        // 3) do i=0..ord-1: funcc(:,-i, 1:extc3) = funcc(:, i+1, 1:extc3)*SoA(2)
-        // 注意 Fortran 这里的 ":" 表示 iF 从 (-ord+1..extc1) 全覆盖
-        #pragma omp for collapse(3)
-        for (int jj = 0; jj <= 2 - 1; ++jj) {
-            const int jF_dst = -jj;
-            const int jF_src = jj + 1;
-            for (int kF = 1; kF <= ex[2]; ++kF) {
-                for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                    fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
-                        fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
-                }
-            }
-        }
-
-        // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
-        #pragma omp for collapse(3)
-        for (int kk = 0; kk <= 2 - 1; ++kk) {
-            const int kF_dst = -kk;
-            const int kF_src = kk + 1;
-            for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
-                for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                    fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
-                        fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
-                }
-            }
-        }
-
-        #pragma omp for collapse(3)
-        for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-            const int kF = k0 + 1;
-            for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-                const int jF = j0 + 1;
-                for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                    fdderivs_xh(i0, j0, k0, ex, fh, iminF, jminF, kminF, ex1, ex2, ex3, 
-                        Fdxdx, Fdydy, Fdzdz, Fdxdy, Fdxdz, Fdydz,
-                        Sdxdx, Sdydy, Sdzdz, Sdxdy, Sdxdz, Sdydz,
-                            fxx,fxy,fxz,fyy,fyz,fzz
-                    );
-                }
-            }
-        }

AMSS_NCKU_source/extention/src/xh_fdderivs.c

@@ -1,311 +0,0 @@
-#include "xh_tool.h"
-void fdderivs(const int ex[3],
-              const double *f,
-              double *fxx, double *fxy, double *fxz,
-              double *fyy, double *fyz, double *fzz,
-              const double *X, const double *Y, const double *Z,
-              double SYM1, double SYM2, double SYM3,
-              int Symmetry, int onoff)
-{
-    (void)onoff;
-    const int NO_SYMM = 0, EQ_SYMM = 1;
-    const double ZEO = 0.0, ONE = 1.0, TWO = 2.0;
-    const double F1o4   = 2.5e-1;          // 1/4
-    const double F8     = 8.0;
-    const double F16    = 16.0;
-    const double F30    = 30.0;
-    const double F1o12  = ONE / 12.0;
-    const double F1o144 = ONE / 144.0;
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-
-    const int imaxF = ex1;
-    const int jmaxF = ex2;
-    const int kmaxF = ex3;
-
-    int iminF = 1, jminF = 1, kminF = 1;
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -1;
-
-
-    /* fh: (ex1+2)*(ex2+2)*(ex3+2) because ord=2 */
-    const size_t nx = (size_t)ex1 + 2;
-    const size_t ny = (size_t)ex2 + 2;
-    const size_t nz = (size_t)ex3 + 2;
-    const size_t fh_size = nx * ny * nz;
-
-    /* 系数：按 Fortran 原式 */
-    const double Sdxdx = ONE / (dX * dX);
-    const double Sdydy = ONE / (dY * dY);
-    const double Sdzdz = ONE / (dZ * dZ);
-
-    const double Fdxdx = F1o12 / (dX * dX);
-    const double Fdydy = F1o12 / (dY * dY);
-    const double Fdzdz = F1o12 / (dZ * dZ);
-
-    const double Sdxdy = F1o4 / (dX * dY);
-    const double Sdxdz = F1o4 / (dX * dZ);
-    const double Sdydz = F1o4 / (dY * dZ);
-
-    const double Fdxdy = F1o144 / (dX * dY);
-    const double Fdxdz = F1o144 / (dX * dZ);
-    const double Fdydz = F1o144 / (dY * dZ);
-
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    // double *fh = (double*)malloc(fh_size * sizeof(double));
-    if (!fh) return;
-
-    // symmetry_bd(2, ex, f, fh, SoA);
-    const double SoA[3] = { SYM1, SYM2, SYM3 };
-
-    for (int k0 = 0; k0 < ex[2]; ++k0) {
-        for (int j0 = 0; j0 < ex[1]; ++j0) {
-            for (int i0 = 0; i0 < ex[0]; ++i0) {
-                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
-                fh[idx_funcc_F(iF, jF, kF, 2, ex)] = f[idx_func0(i0, j0, k0, ex)];
-            }
-        }
-    }
-
-    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
-    for (int ii = 0; ii <= 2 - 1; ++ii) {
-        const int iF_dst = -ii;       // 0, -1, -2, ...
-        const int iF_src = ii + 1;    // 1, 2, 3, ...
-        for (int kF = 1; kF <= ex[2]; ++kF) {
-            for (int jF = 1; jF <= ex[1]; ++jF) {
-                fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
-                    fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * SoA[0];
-            }
-        }
-    }
-
-    // 3) do i=0..ord-1: funcc(:,-i, 1:extc3) = funcc(:, i+1, 1:extc3)*SoA(2)
-    // 注意 Fortran 这里的 ":" 表示 iF 从 (-ord+1..extc1) 全覆盖
-    for (int jj = 0; jj <= 2 - 1; ++jj) {
-        const int jF_dst = -jj;
-        const int jF_src = jj + 1;
-        for (int kF = 1; kF <= ex[2]; ++kF) {
-            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
-                    fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
-            }
-        }
-    }
-
-    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
-    for (int kk = 0; kk <= 2 - 1; ++kk) {
-        const int kF_dst = -kk;
-        const int kF_src = kk + 1;
-        for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
-            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
-                    fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
-            }
-        }
-    }
-    /* 输出清零：fxx,fyy,fzz,fxy,fxz,fyz = 0 */
-    // const size_t all = (size_t)ex1 * (size_t)ex2 * (size_t)ex3;
-    // for (size_t p = 0; p < all; ++p) {
-    //     fxx[p] = ZEO; fyy[p] = ZEO; fzz[p] = ZEO;
-    //     fxy[p] = ZEO; fxz[p] = ZEO; fyz[p] = ZEO;
-    // }
-
-    /*
-     * Fortran:
-     * do k=1,ex3-1
-     * do j=1,ex2-1
-     * do i=1,ex1-1
-     */
-    
-    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                const int iF = i0 + 1;
-                const size_t p = idx_ex(i0, j0, k0, ex);
-
-                /* 高阶分支：i±2,j±2,k±2 都在范围内 */
-                if ((iF + 2) <= imaxF && (iF - 2) >= iminF &&
-                    (jF + 2) <= jmaxF && (jF - 2) >= jminF &&
-                    (kF + 2) <= kmaxF && (kF - 2) >= kminF)
-                {
-                    fxx[p] = Fdxdx * (
-                        -fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fyy[p] = Fdydy * (
-                        -fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fzz[p] = Fdzdz * (
-                        -fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-
-                    /* fxy 高阶：完全照搬 Fortran 的括号结构 */
-                    {
-                        const double t_jm2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF - 2, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 2, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 2, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF - 2, kF, ex)] );
-
-                        const double t_jm1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF - 1, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF - 1, kF, ex)] );
-
-                        const double t_jp1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF + 1, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF + 1, kF, ex)] );
-
-                        const double t_jp2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF + 2, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 2, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 2, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF + 2, kF, ex)] );
-
-                        fxy[p] = Fdxdy * ( t_jm2 - F8 * t_jm1 + F8 * t_jp1 - t_jp2 );
-                    }
-
-                    /* fxz 高阶 */
-                    {
-                        const double t_km2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 2, ex)] );
-
-                        const double t_km1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 1, ex)] );
-
-                        const double t_kp1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 1, ex)] );
-
-                        const double t_kp2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 2, ex)] );
-
-                        fxz[p] = Fdxdz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-                    }
-
-                    /* fyz 高阶 */
-                    {
-                        const double t_km2 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 2, ex)] );
-
-                        const double t_km1 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 1, ex)] );
-
-                        const double t_kp1 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 1, ex)] );
-
-                        const double t_kp2 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 2, ex)] );
-
-                        fyz[p] = Fdydz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-                    }
-                }
-                /* 二阶分支：i±1,j±1,k±1 在范围内 */
-                else if ((iF + 1) <= imaxF && (iF - 1) >= iminF &&
-                         (jF + 1) <= jmaxF && (jF - 1) >= jminF &&
-                         (kF + 1) <= kmaxF && (kF - 1) >= kminF)
-                {
-                    fxx[p] = Sdxdx * (
-                        fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fyy[p] = Sdydy * (
-                        fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fzz[p] = Sdzdz * (
-                        fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-
-                    fxy[p] = Sdxdy * (
-                        fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)] -
-                        fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)] -
-                        fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                    );
-
-                    fxz[p] = Sdxdz * (
-                        fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                    );
-
-                    fyz[p] = Sdydz * (
-                        fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)] +
-                        fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                    );
-                }else{
-                    fxx[p] = 0.0;
-                    fyy[p] = 0.0;
-                    fzz[p] = 0.0;
-                    fxy[p] = 0.0;
-                    fxz[p] = 0.0;
-                    fyz[p] = 0.0;
-                }
-            }
-        }
-    }
-    // free(fh);
-}

AMSS_NCKU_source/extention/src/xh_fderivs.c

@@ -1,145 +0,0 @@
-#include "xh_tool.h"
-
-/*
- * C 版 fderivs
- *
- * Fortran:
- * subroutine fderivs(ex,f,fx,fy,fz,X,Y,Z,SYM1,SYM2,SYM3,symmetry,onoff)
- *
- * 约定：
- *   f, fx, fy, fz: ex1*ex2*ex3，按 idx_ex 布局
- *   X: ex1, Y: ex2, Z: ex3
- */
-void fderivs(const int ex[3],
-             const double *f,
-             double *fx, double *fy, double *fz,
-             const double *X, const double *Y, const double *Z,
-             double SYM1, double SYM2, double SYM3,
-             int Symmetry, int onoff)
-{
-    (void)onoff; // Fortran 里没用到
-
-    const double ZEO = 0.0, ONE = 1.0;
-    const double TWO = 2.0, EIT = 8.0;
-    const double F12 = 12.0;
-
-    const int NO_SYMM = 0, EQ_SYMM = 1; // OCTANT=2 在本子程序里不直接用
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    // dX = X(2)-X(1) -> C: X[1]-X[0]
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-
-    int iminF = 1, jminF = 1, kminF = 1;
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -1;
-
-    // SoA(1:3) = SYM1,SYM2,SYM3
-    const double SoA[3] = { SYM1, SYM2, SYM3 };
-
-    // fh: (ex1+2)*(ex2+2)*(ex3+2) because ord=2
-    const size_t nx = (size_t)ex1 + 2;
-    const size_t ny = (size_t)ex2 + 2;
-    const size_t nz = (size_t)ex3 + 2;
-    const size_t fh_size = nx * ny * nz;
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    // double *fh = (double*)malloc(fh_size * sizeof(double));
-    if (!fh) return;
-
-    // call symmetry_bd(2,ex,f,fh,SoA)
-    symmetry_bd(2, ex, f, fh, SoA);
-
-    const double d12dx = ONE / F12 / dX;
-    const double d12dy = ONE / F12 / dY;
-    const double d12dz = ONE / F12 / dZ;
-
-    const double d2dx  = ONE / TWO / dX;
-    const double d2dy  = ONE / TWO / dY;
-    const double d2dz  = ONE / TWO / dZ;
-
-    // fx = fy = fz = 0
-    const size_t all = (size_t)ex1 * (size_t)ex2 * (size_t)ex3;
-    for (size_t p = 0; p < all; ++p) {
-        fx[p] = ZEO;
-        fy[p] = ZEO;
-        fz[p] = ZEO;
-    }
-
-    /*
-     * Fortran loops:
-     * do k=1,ex3-1
-     * do j=1,ex2-1
-     * do i=1,ex1-1
-     *
-     * C: k0=0..ex3-2, j0=0..ex2-2, i0=0..ex1-2
-     */
-    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                const int iF = i0 + 1;
-                const size_t p = idx_ex(i0, j0, k0, ex);
-
-                // if(i+2 <= imax .and. i-2 >= imin ... )  (全是 Fortran 索引)
-                if ((iF + 2) <= ex1 && (iF - 2) >= iminF &&
-                    (jF + 2) <= ex2 && (jF - 2) >= jminF &&
-                    (kF + 2) <= ex3 && (kF - 2) >= kminF)
-                {
-                    fx[p] = d12dx * (
-                        fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] -
-                        EIT * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] +
-                        EIT * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)]
-                    );
-
-                    fy[p] = d12dy * (
-                        fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] -
-                        EIT * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] +
-                        EIT * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)]
-                    );
-
-                    fz[p] = d12dz * (
-                        fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] -
-                        EIT * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] +
-                        EIT * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)]
-                    );
-                }
-                // elseif(i+1 <= imax .and. i-1 >= imin ...)
-                else if ((iF + 1) <= ex1 && (iF - 1) >= iminF &&
-                         (jF + 1) <= ex2 && (jF - 1) >= jminF &&
-                         (kF + 1) <= ex3 && (kF - 1) >= kminF)
-                {
-                    fx[p] = d2dx * (
-                        -fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] +
-                         fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fy[p] = d2dy * (
-                        -fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] +
-                         fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fz[p] = d2dz * (
-                        -fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] +
-                         fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-                }
-            }
-        }
-    }
-
-    // free(fh);
-}

AMSS_NCKU_source/extention/src/xh_kodiss.c

@@ -1,116 +0,0 @@
-#include "xh_tool.h"
-
-/*
- * C 版 kodis
- *
- * Fortran signature:
- * subroutine kodis(ex,X,Y,Z,f,f_rhs,SoA,Symmetry,eps)
- *
- * 约定：
- *   X: ex1, Y: ex2, Z: ex3
- *   f, f_rhs: ex1*ex2*ex3 按 idx_ex 布局
- *   SoA[3]
- *   eps: double
- */
-void kodis(const int ex[3],
-           const double *X, const double *Y, const double *Z,
-           const double *f, double *f_rhs,
-           const double SoA[3],
-           int Symmetry, double eps)
-{
-    const double ONE = 1.0, SIX = 6.0, FIT = 15.0, TWT = 20.0;
-    const double cof = 64.0;             // 2^6
-    const int NO_SYMM = 0, OCTANT = 2;
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    // Fortran: dX = X(2)-X(1) -> C: X[1]-X[0]
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-    (void)ONE; // ONE 在原 Fortran 里只是参数，这里不一定用得上
-
-    // Fortran: imax=ex(1) 等是 1-based 上界
-    const int imaxF = ex1;
-    const int jmaxF = ex2;
-    const int kmaxF = ex3;
-
-    // Fortran: imin=jmin=kmin=1，某些对称情况变 -2
-    int iminF = 1, jminF = 1, kminF = 1;
-
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -2;
-    if (Symmetry == OCTANT && fabs(X[0]) < dX) iminF = -2;
-    if (Symmetry == OCTANT && fabs(Y[0]) < dY) jminF = -2;
-
-    // 分配 fh：大小 (ex1+3)*(ex2+3)*(ex3+3)，对应 ord=3
-    const size_t nx = (size_t)ex1 + 3;
-    const size_t ny = (size_t)ex2 + 3;
-    const size_t nz = (size_t)ex3 + 3;
-    const size_t fh_size = nx * ny * nz;
-
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    if (!fh) return;
-
-    // Fortran: call symmetry_bd(3,ex,f,fh,SoA)
-    symmetry_bd(3, ex, f, fh, SoA);
-
-    /*
-     * Fortran loops:
-     * do k=1,ex3
-     * do j=1,ex2
-     * do i=1,ex1
-     *
-     * C: k0=0..ex3-1, j0=0..ex2-1, i0=0..ex1-1
-     * 并定义 Fortran index: iF=i0+1, ...
-     */
-    for (int k0 = 0; k0 < ex3; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 < ex2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 < ex1; ++i0) {
-                const int iF = i0 + 1;
-
-                // Fortran if 条件：
-                // i-3 >= imin .and. i+3 <= imax  等（都是 Fortran 索引）
-                if ((iF - 3) >= iminF && (iF + 3) <= imaxF &&
-                    (jF - 3) >= jminF && (jF + 3) <= jmaxF &&
-                    (kF - 3) >= kminF && (kF + 3) <= kmaxF)
-                {
-                    const size_t p = idx_ex(i0, j0, k0, ex);
-
-                    // 三个方向各一份同型的 7 点组合（实际上是对称的 6th-order dissipation/filter 核）
-                    const double Dx_term =
-                        ( (fh[idx_fh_F(iF - 3, jF, kF, ex)] + fh[idx_fh_F(iF + 3, jF, kF, ex)]) -
-                          SIX * (fh[idx_fh_F(iF - 2, jF, kF, ex)] + fh[idx_fh_F(iF + 2, jF, kF, ex)]) +
-                          FIT * (fh[idx_fh_F(iF - 1, jF, kF, ex)] + fh[idx_fh_F(iF + 1, jF, kF, ex)]) -
-                          TWT *  fh[idx_fh_F(iF    , jF, kF, ex)] ) / dX;
-
-                    const double Dy_term =
-                        ( (fh[idx_fh_F(iF, jF - 3, kF, ex)] + fh[idx_fh_F(iF, jF + 3, kF, ex)]) -
-                          SIX * (fh[idx_fh_F(iF, jF - 2, kF, ex)] + fh[idx_fh_F(iF, jF + 2, kF, ex)]) +
-                          FIT * (fh[idx_fh_F(iF, jF - 1, kF, ex)] + fh[idx_fh_F(iF, jF + 1, kF, ex)]) -
-                          TWT *  fh[idx_fh_F(iF, jF    , kF, ex)] ) / dY;
-
-                    const double Dz_term =
-                        ( (fh[idx_fh_F(iF, jF, kF - 3, ex)] + fh[idx_fh_F(iF, jF, kF + 3, ex)]) -
-                          SIX * (fh[idx_fh_F(iF, jF, kF - 2, ex)] + fh[idx_fh_F(iF, jF, kF + 2, ex)]) +
-                          FIT * (fh[idx_fh_F(iF, jF, kF - 1, ex)] + fh[idx_fh_F(iF, jF, kF + 1, ex)]) -
-                          TWT *  fh[idx_fh_F(iF, jF, kF    , ex)] ) / dZ;
-
-                    // Fortran:
-                    // f_rhs(i,j,k) = f_rhs(i,j,k) + eps/cof*(Dx_term + Dy_term + Dz_term)
-                    f_rhs[p] += (eps / cof) * (Dx_term + Dy_term + Dz_term);
-                }
-            }
-        }
-    }
-
-    // free(fh);
-}

AMSS_NCKU_source/extention/src/xh_lopsided.c

@@ -1,262 +0,0 @@
-#include "xh_tool.h"
-/*
- * 你需要提供 symmetry_bd 的 C 版本（或 Fortran 绑到 C 的接口）。
- * Fortran: call symmetry_bd(3,ex,f,fh,SoA)
- *
- * 约定：
- *   nghost = 3
- *   ex[3]  = {ex1,ex2,ex3}
- *   f      = 原始网格 (ex1*ex2*ex3)
- *   fh     = 扩展网格 ((ex1+3)*(ex2+3)*(ex3+3))，对应 Fortran 的 (-2:ex1, ...)
- *   SoA[3] = 输入参数
- */
-void lopsided(const int ex[3],
-              const double *X, const double *Y, const double *Z,
-              const double *f, double *f_rhs,
-              const double *Sfx, const double *Sfy, const double *Sfz,
-              int Symmetry, const double SoA[3])
-{
-    const double ZEO = 0.0, ONE = 1.0, F3 = 3.0;
-    const double TWO = 2.0, F6 = 6.0, F18 = 18.0;
-    const double F12 = 12.0, F10 = 10.0, EIT = 8.0;
-
-    const int NO_SYMM = 0, EQ_SYMM = 1, OCTANT = 2;
-    (void)OCTANT; // 这里和 Fortran 一样只是定义了不用也没关系
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    // 对应 Fortran: dX = X(2)-X(1)  （Fortran 1-based）
-    // C: X[1]-X[0]
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-
-    const double d12dx = ONE / F12 / dX;
-    const double d12dy = ONE / F12 / dY;
-    const double d12dz = ONE / F12 / dZ;
-
-    // Fortran 里算了 d2dx/d2dy/d2dz 但本 subroutine 里没用到（保持一致也算出来）
-    const double d2dx  = ONE / TWO / dX;
-    const double d2dy  = ONE / TWO / dY;
-    const double d2dz  = ONE / TWO / dZ;
-    (void)d2dx; (void)d2dy; (void)d2dz;
-
-    // Fortran:
-    // imax = ex(1); jmax = ex(2); kmax = ex(3)
-    const int imaxF = ex1;
-    const int jmaxF = ex2;
-    const int kmaxF = ex3;
-
-    // Fortran:
-    // imin=jmin=kmin=1; 若满足对称条件则设为 -2
-    int iminF = 1, jminF = 1, kminF = 1;
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -2;
-    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -2;
-    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -2;
-
-    // 分配 fh：大小 (ex1+3)*(ex2+3)*(ex3+3)
-    const size_t nx = (size_t)ex1 + 3;
-    const size_t ny = (size_t)ex2 + 3;
-    const size_t nz = (size_t)ex3 + 3;
-    const size_t fh_size = nx * ny * nz;
-
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    if (!fh) return; // 内存不足：直接返回（你也可以改成 abort/报错）
-
-    // Fortran: call symmetry_bd(3,ex,f,fh,SoA)
-    symmetry_bd(3, ex, f, fh, SoA);
-
-    /*
-     * Fortran 主循环：
-     * do k=1,ex(3)-1
-     * do j=1,ex(2)-1
-     * do i=1,ex(1)-1
-     *
-     * 转成 C 0-based：
-     * k0 = 0..ex3-2, j0 = 0..ex2-2, i0 = 0..ex1-2
-     *
-     * 并且 Fortran 里的 i/j/k 在 fh 访问时，仍然是 Fortran 索引值：
-     * iF=i0+1, jF=j0+1, kF=k0+1
-     */
-    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                const int iF = i0 + 1;
-
-                const size_t p = idx_ex(i0, j0, k0, ex);
-
-                // ---------------- x direction ----------------
-                const double sfx = Sfx[p];
-                if (sfx > ZEO) {
-                    // Fortran: if(i+3 <= imax)
-                    // iF+3 <= ex1  <=> i0+4 <= ex1 <=> i0 <= ex1-4
-                    if (i0 <= ex1 - 4) {
-                        f_rhs[p] += sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF + 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF + 3, jF, kF, ex)]);
-                    }
-                    // elseif(i+2 <= imax)  <=> i0 <= ex1-3
-                    else if (i0 <= ex1 - 3) {
-                        f_rhs[p] += sfx * d12dx *
-                            ( fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -      fh[idx_fh_F(iF + 2, jF, kF, ex)]);
-                    }
-                    // elseif(i+1 <= imax)  <=> i0 <= ex1-2（循环里总成立）
-                    else if (i0 <= ex1 - 2) {
-                        f_rhs[p] -= sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF - 3, jF, kF, ex)]);
-                    }
-                } else if (sfx < ZEO) {
-                    // Fortran: if(i-3 >= imin)
-                    // (iF-3) >= iminF  <=> (i0-2) >= iminF
-                    if ((i0 - 2) >= iminF) {
-                        f_rhs[p] -= sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF - 3, jF, kF, ex)]);
-                    }
-                    // elseif(i-2 >= imin) <=> (i0-1) >= iminF
-                    else if ((i0 - 1) >= iminF) {
-                        f_rhs[p] += sfx * d12dx *
-                            ( fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -      fh[idx_fh_F(iF + 2, jF, kF, ex)]);
-                    }
-                    // elseif(i-1 >= imin) <=> i0 >= iminF
-                    else if (i0 >= iminF) {
-                        f_rhs[p] += sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF + 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF + 3, jF, kF, ex)]);
-                    }
-                }
-
-                // ---------------- y direction ----------------
-                const double sfy = Sfy[p];
-                if (sfy > ZEO) {
-                    // jF+3 <= ex2 <=> j0+4 <= ex2 <=> j0 <= ex2-4
-                    if (j0 <= ex2 - 4) {
-                        f_rhs[p] += sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF + 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF + 3, kF, ex)]);
-                    } else if (j0 <= ex2 - 3) {
-                        f_rhs[p] += sfy * d12dy *
-                            ( fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -      fh[idx_fh_F(iF, jF + 2, kF, ex)]);
-                    } else if (j0 <= ex2 - 2) {
-                        f_rhs[p] -= sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF - 3, kF, ex)]);
-                    }
-                } else if (sfy < ZEO) {
-                    if ((j0 - 2) >= jminF) {
-                        f_rhs[p] -= sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF - 3, kF, ex)]);
-                    } else if ((j0 - 1) >= jminF) {
-                        f_rhs[p] += sfy * d12dy *
-                            ( fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -      fh[idx_fh_F(iF, jF + 2, kF, ex)]);
-                    } else if (j0 >= jminF) {
-                        f_rhs[p] += sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF + 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF + 3, kF, ex)]);
-                    }
-                }
-
-                // ---------------- z direction ----------------
-                const double sfz = Sfz[p];
-                if (sfz > ZEO) {
-                    if (k0 <= ex3 - 4) {
-                        f_rhs[p] += sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF + 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF + 3, ex)]);
-                    } else if (k0 <= ex3 - 3) {
-                        f_rhs[p] += sfz * d12dz *
-                            ( fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -      fh[idx_fh_F(iF, jF, kF + 2, ex)]);
-                    } else if (k0 <= ex3 - 2) {
-                        f_rhs[p] -= sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF - 3, ex)]);
-                    }
-                } else if (sfz < ZEO) {
-                    if ((k0 - 2) >= kminF) {
-                        f_rhs[p] -= sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF - 3, ex)]);
-                    } else if ((k0 - 1) >= kminF) {
-                        f_rhs[p] += sfz * d12dz *
-                            ( fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -      fh[idx_fh_F(iF, jF, kF + 2, ex)]);
-                    } else if (k0 >= kminF) {
-                        f_rhs[p] += sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF + 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF + 3, ex)]);
-                    }
-                }
-            }
-        }
-    }
-    // free(fh);
-}
-
-
-
-
-

AMSS_NCKU_source/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)
@@ -1111,8 +1117,7 @@ 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
@@ -1124,13 +1129,15 @@ end subroutine d2dump
   real*8, dimension(ordn) :: c, d, ho
   real*8 :: dif, dift, hp, h, den_val
 
+  ! Initialization
   c = ya
   d = ya
   ho = xa - x
-
+  
   ns = 1
   dif = abs(x - xa(1))
-
+  
+  ! Find the index of the closest table entry
   do i = 2, ordn
     dift = abs(x - xa(i))
     if (dift < dif) then
@@ -1141,26 +1148,31 @@ end subroutine d2dump
 
   y = ya(ns)
   ns = ns - 1
-
+  
+  ! Main Neville's algorithm loop
   do m = 1, ordn - 1
     n_m = ordn - m
     do i = 1, n_m
       hp = ho(i)
       h  = ho(i+m)
       den_val = hp - h
-
+      
+      ! Check for division by zero locally
       if (den_val == 0.0d0) then
         write(*,*) 'failure in polint for point',x
         write(*,*) 'with input points: ',xa
         stop
       end if
-
+      
+      ! Reuse den_val to avoid redundant divisions
       den_val = (c(i+1) - d(i)) / den_val
-
+      
+      ! Update c and d in place
       d(i) = h * den_val
       c(i) = hp * den_val
     end do
 
+    ! Decide which path (up or down the tableau) to take
     if (2 * ns < n_m) then
       dy = c(ns + 1)
     else
@@ -1177,92 +1189,68 @@ end subroutine d2dump
 ! interpolation in 2 dimensions, follow yx order
 !
 !------------------------------------------------------------------------------
-  subroutine polin2(x1a,x2a,ya,x1,x2,y,dy,ordn)
-  implicit none
+subroutine polin2(x1a,x2a,ya,x1,x2,y,dy,ordn)
+    implicit none
+    integer,intent(in) :: ordn
+    real*8, dimension(ordn), intent(in) :: x1a,x2a
+    real*8, dimension(ordn,ordn), intent(in) :: ya
+    real*8, intent(in) :: x1,x2
+    real*8, intent(out) :: y,dy
 
-  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
+    integer  :: j
+    real*8, dimension(ordn) :: ymtmp
+    real*8 :: dy_temp ! Local variable to prevent overwriting result
 
-#ifdef POLINT_LEGACY_ORDER
-  integer  :: i,m
-  real*8, dimension(ordn) :: ymtmp
-  real*8, dimension(ordn) :: yntmp
+    ! Optimized sequence: Loop over columns (j) 
+    ! ya(:,j) is a contiguous memory block in Fortran
+    do j=1,ordn
+      call polint(x1a, ya(:,j), x1, ymtmp(j), dy_temp, ordn)
+    end do
 
-  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
+    ! Final interpolation on the results
+    call polint(x2a, ymtmp, x2, y, dy, ordn)
 
-  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
-
-  return
+    return
   end subroutine polin2
 !------------------------------------------------------------------------------
 !
 ! interpolation in 3 dimensions, follow zyx order
 !
 !------------------------------------------------------------------------------
-  subroutine polin3(x1a,x2a,x3a,ya,x1,x2,x3,y,dy,ordn)
-  implicit none
+subroutine polin3(x1a,x2a,x3a,ya,x1,x2,x3,y,dy,ordn)
+    implicit none
+    integer,intent(in) :: ordn
+    real*8, dimension(ordn), intent(in) :: x1a,x2a,x3a
+    real*8, dimension(ordn,ordn,ordn), intent(in) :: ya
+    real*8, intent(in) :: x1,x2,x3
+    real*8, intent(out) :: y,dy
 
-  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
+    integer  :: j, k
+    real*8, dimension(ordn,ordn) :: yatmp
+    real*8, dimension(ordn) :: ymtmp
+    real*8 :: dy_temp
 
-#ifdef POLINT_LEGACY_ORDER
-  integer  :: i,j,m,n
-  real*8, dimension(ordn,ordn) :: yatmp
-  real*8, dimension(ordn) :: ymtmp
-  real*8, dimension(ordn) :: yntmp
-  real*8, dimension(ordn) :: yqtmp
-
-  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)
+    ! Sequence change: Process the contiguous first dimension (x1) first.
+    ! We loop through the 'slow' planes (j, k) to extract 'fast' columns.
+    do k=1,ordn
+      do j=1,ordn
+        ! ya(:,j,k) is contiguous; much faster than ya(i,j,:)
+        call polint(x1a, ya(:,j,k), x1, yatmp(j,k), dy_temp, ordn)
+      end do
     end do
-  end do
-  do k=1,ordn
-    call polint(x2a, yatmp(:,k), x2, ymtmp(k), dy_temp, ordn)
-  end do
-  call polint(x3a, ymtmp, x3, y, dy, ordn)
-#endif
 
-  return
+    ! Now process the second dimension
+    do k=1,ordn
+      call polint(x2a, yatmp(:,k), x2, ymtmp(k), dy_temp, ordn)
+    end do
+
+    ! Final dimension
+    call polint(x3a, ymtmp, x3, y, dy, ordn)
+
+    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 +1267,7 @@ end subroutine d2dump
   real*8            :: dX, dY, dZ
   integer::imin,jmin,kmin
   integer::imax,jmax,kmax
-  integer::i,j,k,n_elements
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
+  integer::i,j,k
 
   dX = X(2) - X(1)
   dY = Y(2) - Y(1)
@@ -1305,12 +1291,7 @@ 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
-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 = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
 
 f_out = f_out*dX*dY*dZ
 
@@ -1335,9 +1316,7 @@ 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
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
+  integer::i,j,k
 
   real*8 :: PIo4
 
@@ -1400,12 +1379,7 @@ 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
-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 = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
 
 f_out = f_out*dX*dY*dZ
 
@@ -1433,8 +1407,6 @@ 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 +1469,11 @@ 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 +1671,6 @@ 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 +1706,20 @@ 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 = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  f_int=0
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1780,7 +1749,6 @@ 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 +1778,15 @@ 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 = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  f_int=0
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1848,7 +1817,6 @@ 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 +1877,10 @@ deallocate(f_flat)
           write(*,*)"error in global_interpind1d, not recognized dumyd = ",dumyd
   endif
 
-  ! Optimized with BLAS DDOT for weighted sum
-  f_int = DDOT(ORDN, coef, 1, ya, 1)
+  f_int=0
+  do m=1,ORDN
+    f_int = f_int + coef(m)*ya(m)
+  enddo
 
   return
 
@@ -2142,38 +2112,24 @@ 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)
-  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 ]
+  integer :: i
 
 ! 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)
-  if(N <= 20)then
-     gont = fact_table(N)
-  else
-     ! 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
+  gont = 1.d0
+  do i=1,N
+     gont = gont*i
+  enddo
 
   return
 
@@ -2307,3 +2263,4 @@ subroutine find_maximum(ext,X,Y,Z,fun,val,pos,llb,uub)
   return
 
 end subroutine
+

AMSS_NCKU_source/gaussj.C

@@ -16,66 +16,115 @@ using namespace std;
 #include <string.h>
 #include <math.h>
 #endif
-
-// Intel oneMKL LAPACK interface
-#include <mkl_lapacke.h>
-/* Linear equation solution using Intel oneMKL LAPACK.
+/* Linear equation solution by Gauss-Jordan elimination.
 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.
-
-Mathematical equivalence:
-  Solves: A * x = b  =>  x = A^(-1) * b
-  Original Gauss-Jordan and LAPACK dgesv/dgetri produce identical results
-  within numerical precision. */
+corresponding set of solution vectors */
 
 int gaussj(double *a, double *b, int n)
 {
-  // Allocate pivot array and workspace
-  lapack_int *ipiv = new lapack_int[n];
-  lapack_int info;
+  double swap;
 
-  // Make a copy of matrix a for solving (dgesv modifies it to LU form)
-  double *a_copy = new double[n * n];
-  for (int i = 0; i < n * n; i++) {
-    a_copy[i] = a[i];
+  int *indxc, *indxr, *ipiv;
+  indxc = new int[n];
+  indxr = new int[n];
+  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
-  // 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 (info != 0) {
-    cout << "gaussj: Singular Matrix (dgesv info=" << info << ")" << endl;
-    delete[] ipiv;
-    delete[] a_copy;
-    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;
+  for (l = n - 1; l >= 0; l--)
+  {
+    if (indxr[l] != indxc[l])
+      for (k = 0; k < n; k++)
+      {
+        swap = a[k * n + indxr[l]];
+        a[k * n + indxr[l]] = a[k * n + indxc[l]];
+        a[k * n + indxc[l]] = swap;
+      }
   }
 
+  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
-      DGVV = DDOT(N, V, 1, W, 1)
+      SUM = 0.0D0
+            DO 10 I = 1,N
+            SUM = SUM + V(I)*W(I)
+10          CONTINUE
+      DGVV = SUM
       RETURN
       END

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

@@ -8,7 +8,7 @@ include makefile.inc
 	$(f90) $(f90appflags) -c $< -o $@
 
 .C.o:
-	${CXX} $(CXXAPPFLAGS) -qopenmp -c $< $(filein) -o $@
+	${CXX} $(CXXAPPFLAGS) -c $< $(filein) -o $@
 
 .for.o:
 	$(f77) -c $< -o $@
@@ -16,20 +16,13 @@ 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\
 	   bssnEScalar_class.o perf.o Z4c_class.o NullShellPatch.o\
 	   bssnEM_class.o cpbc_util.o z4c_rhs_point.o checkpoint.o\
            Parallel_bam.o scalar_class.o transpbh.o NullShellPatch2.o\
-	   NullShellPatch2_Evo.o writefile_f.o xh_bssn_rhs.o xh_fdderivs.o xh_fderivs.o xh_kodiss.o xh_lopsided.o \
-	   xh_global_interp.o xh_polint3.o
+	   NullShellPatch2_Evo.o writefile_f.o
 	   
 C++FILES_GPU = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
            cgh.o surface_integral.o ShellPatch.o\
@@ -73,7 +66,7 @@ $(C++FILES): Block.h enforce_algebra.h fmisc.h initial_puncture.h macrodef.h\
              fadmquantites_bssn.h cpbc.h getnp4.h initial_null.h NullEvol.h\
 	     NullShellPatch.h initial_maxwell.h bssnEM_class.h getnpem2.h\
 	     empart.h NullNews.h kodiss.h Parallel_bam.h ricci_gamma.h\
-             initial_null2.h NullShellPatch2.h xh_bssn_rhs_compute.h xh_global_interp.h
+             initial_null2.h NullShellPatch2.h 
              
 $(C++FILES_GPU): Block.h enforce_algebra.h fmisc.h initial_puncture.h macrodef.h\
 	     misc.h monitor.h MyList.h Parallel.h MPatch.h prolongrestrict.h\
@@ -97,13 +90,13 @@ misc.o : zbesh.o
 
 # projects
 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

@@ -1,32 +1,33 @@
-## 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${MKLROOT}/include
-
-## Using sequential MKL (OpenMP disabled for better single-threaded performance)
-## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
-LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl
-
-## Aggressive optimization flags + PGO Phase 2 (profile-guided optimization)
-## -fprofile-instr-use: use collected profile data to guide optimization decisions
-##   (branch prediction, basic block layout, inlining, loop unrolling)
-PROFDATA     = /home/hxh/AMSS-NCKU/pgo_profile/default.profdata
-CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma -ipo \
-               -fprofile-instr-use=$(PROFDATA) \
-               -Dfortran3 -Dnewc -I${MKLROOT}/include
-f90appflags  = -O3 -xHost -fp-model fast=2 -fma -ipo \
-               -fprofile-instr-use=$(PROFDATA) \
-               -align array64byte -fpp -I${MKLROOT}/include
-f90          = ifx
-f77          = ifx
-CXX          = icpx
-CC           = icx
-CLINKER      = mpiicpx 
-
-Cu = nvcc
-CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
-#CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -arch compute_13 -code compute_13,sm_13 -Dfortran3 -Dnewc
-CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -Dfortran3 -Dnewc
+## 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${MKLROOT}/include
+
+## Using sequential MKL (OpenMP disabled for better single-threaded performance)
+## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
+LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl
+
+## Aggressive optimization flags:
+## -O3: Maximum optimization
+## -xHost: Optimize for the host CPU architecture (Intel/AMD compatible)
+## -fp-model fast=2: Aggressive floating-point optimizations
+## -fma: Enable fused multiply-add instructions
+## Note: OpenMP has been disabled (-qopenmp removed) due to performance issues
+CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma \
+               -Dfortran3 -Dnewc -I${MKLROOT}/include
+f90appflags  = -O3 -xHost -fp-model fast=2 -fma \
+               -fpp -I${MKLROOT}/include
+f90          = ifx
+f77          = ifx
+CXX          = icpx
+CC           = icx
+CLINKER      = mpiicpx 
+
+Cu = nvcc
+CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
+#CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -arch compute_13 -code compute_13,sm_13 -Dfortran3 -Dnewc
+CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -Dfortran3 -Dnewc
+

AMSS_NCKU_source/surface_integral.C

@@ -220,9 +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;
@@ -234,11 +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;
@@ -361,17 +363,8 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 
@@ -563,17 +556,8 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH, var *Rpsi4, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, Comm_here);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, Comm_here);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, Comm_here);
 
   //|------= Free memory.
 
@@ -751,17 +735,8 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH, var *Rpsi4
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 
@@ -1009,17 +984,8 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 
@@ -1453,17 +1419,8 @@ void surface_integral::surf_Wave(double rex, int lev, ShellPatch *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 
@@ -1897,17 +1854,8 @@ void surface_integral::surf_Wave(double rex, int lev, cgh *GH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 
@@ -2092,17 +2040,8 @@ void surface_integral::surf_Wave(double rex, int lev, NullShellPatch2 *GH, var *
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 
@@ -2287,17 +2226,8 @@ void surface_integral::surf_Wave(double rex, int lev, NullShellPatch *GH, var *R
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 
@@ -2384,9 +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;
@@ -2398,20 +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;
@@ -2532,13 +2464,15 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     }
   }
 
-  {
-    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
-    double scalar_in[7];
-    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
-    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
-  }
+  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+
+  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+
+  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;
@@ -2653,7 +2587,6 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
 
   // we have assumed there is only one box on this level,
   // so we do not need loop boxes
-
   GH->PatL[lev]->data->Interp_Points(DG_List, n_tot, pox, shellf, Symmetry, Comm_here);
 
   double Mass_out = 0;
@@ -2802,13 +2735,15 @@ void surface_integral::surf_MassPAng(double rex, int lev, cgh *GH, var *chi, var
     }
   }
 
-  {
-    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
-    double scalar_in[7];
-    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, Comm_here);
-    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
-    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
-  }
+  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+
+  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, Comm_here);
+
+  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;
@@ -3085,13 +3020,15 @@ void surface_integral::surf_MassPAng(double rex, int lev, ShellPatch *GH, var *c
     }
   }
 
-  {
-    double scalar_out[7] = {Mass_out, ang_outx, ang_outy, ang_outz, p_outx, p_outy, p_outz};
-    double scalar_in[7];
-    MPI_Allreduce(scalar_out, scalar_in, 7, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    mass = scalar_in[0]; sx = scalar_in[1]; sy = scalar_in[2]; sz = scalar_in[3];
-    px = scalar_in[4]; py = scalar_in[5]; pz = scalar_in[6];
-  }
+  MPI_Allreduce(&Mass_out, &mass, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+
+  MPI_Allreduce(&ang_outx, &sx, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&ang_outy, &sy, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(&ang_outz, &sz, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+
+  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;
@@ -3670,17 +3607,8 @@ void surface_integral::surf_Wave(double rex, cgh *GH, ShellPatch *SH,
   }
   //|------+  Communicate and sum the results from each processor.
 
-  {
-    double *RPIP_out = new double[2 * NN];
-    double *RPIP = new double[2 * NN];
-    memcpy(RPIP_out, RP_out, NN * sizeof(double));
-    memcpy(RPIP_out + NN, IP_out, NN * sizeof(double));
-    MPI_Allreduce(RPIP_out, RPIP, 2 * NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
-    memcpy(RP, RPIP, NN * sizeof(double));
-    memcpy(IP, RPIP + NN, NN * sizeof(double));
-    delete[] RPIP_out;
-    delete[] RPIP;
-  }
+  MPI_Allreduce(RP_out, RP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
+  MPI_Allreduce(IP_out, IP, NN, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD);
 
   //|------= Free memory.
 

AMSS_NCKU_source/xh_bssn_rhs_compute.h

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

AMSS_NCKU_source/xh_fdderivs.C

@@ -1,311 +0,0 @@
-#include "xh_tool.h"
-void fdderivs(const int ex[3],
-              const double *f,
-              double *fxx, double *fxy, double *fxz,
-              double *fyy, double *fyz, double *fzz,
-              const double *X, const double *Y, const double *Z,
-              double SYM1, double SYM2, double SYM3,
-              int Symmetry, int onoff)
-{
-    (void)onoff;
-    const int NO_SYMM = 0, EQ_SYMM = 1;
-    const double ZEO = 0.0, ONE = 1.0, TWO = 2.0;
-    const double F1o4   = 2.5e-1;          // 1/4
-    const double F8     = 8.0;
-    const double F16    = 16.0;
-    const double F30    = 30.0;
-    const double F1o12  = ONE / 12.0;
-    const double F1o144 = ONE / 144.0;
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-
-    const int imaxF = ex1;
-    const int jmaxF = ex2;
-    const int kmaxF = ex3;
-
-    int iminF = 1, jminF = 1, kminF = 1;
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -1;
-
-
-    /* fh: (ex1+2)*(ex2+2)*(ex3+2) because ord=2 */
-    const size_t nx = (size_t)ex1 + 2;
-    const size_t ny = (size_t)ex2 + 2;
-    const size_t nz = (size_t)ex3 + 2;
-    const size_t fh_size = nx * ny * nz;
-
-    /* 系数：按 Fortran 原式 */
-    const double Sdxdx = ONE / (dX * dX);
-    const double Sdydy = ONE / (dY * dY);
-    const double Sdzdz = ONE / (dZ * dZ);
-
-    const double Fdxdx = F1o12 / (dX * dX);
-    const double Fdydy = F1o12 / (dY * dY);
-    const double Fdzdz = F1o12 / (dZ * dZ);
-
-    const double Sdxdy = F1o4 / (dX * dY);
-    const double Sdxdz = F1o4 / (dX * dZ);
-    const double Sdydz = F1o4 / (dY * dZ);
-
-    const double Fdxdy = F1o144 / (dX * dY);
-    const double Fdxdz = F1o144 / (dX * dZ);
-    const double Fdydz = F1o144 / (dY * dZ);
-
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    // double *fh = (double*)malloc(fh_size * sizeof(double));
-    if (!fh) return;
-
-    // symmetry_bd(2, ex, f, fh, SoA);
-    const double SoA[3] = { SYM1, SYM2, SYM3 };
-
-    for (int k0 = 0; k0 < ex[2]; ++k0) {
-        for (int j0 = 0; j0 < ex[1]; ++j0) {
-            for (int i0 = 0; i0 < ex[0]; ++i0) {
-                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1; 
-                fh[idx_funcc_F(iF, jF, kF, 2, ex)] = f[idx_func0(i0, j0, k0, ex)];
-            }
-        }
-    }
-
-    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
-    for (int ii = 0; ii <= 2 - 1; ++ii) {
-        const int iF_dst = -ii;       // 0, -1, -2, ...
-        const int iF_src = ii + 1;    // 1, 2, 3, ...
-        for (int kF = 1; kF <= ex[2]; ++kF) {
-            for (int jF = 1; jF <= ex[1]; ++jF) {
-                fh[idx_funcc_F(iF_dst, jF, kF, 2, ex)] = 
-                    fh[idx_funcc_F(iF_src, jF, kF, 2, ex)] * SoA[0];
-            }
-        }
-    }
-
-    // 3) do i=0..ord-1: funcc(:,-i, 1:extc3) = funcc(:, i+1, 1:extc3)*SoA(2)
-    // 注意 Fortran 这里的 ":" 表示 iF 从 (-ord+1..extc1) 全覆盖
-    for (int jj = 0; jj <= 2 - 1; ++jj) {
-        const int jF_dst = -jj;
-        const int jF_src = jj + 1;
-        for (int kF = 1; kF <= ex[2]; ++kF) {
-            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                fh[idx_funcc_F(iF, jF_dst, kF, 2, ex)] =
-                    fh[idx_funcc_F(iF, jF_src, kF, 2, ex)] * SoA[1];
-            }
-        }
-    }
-
-    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
-    for (int kk = 0; kk <= 2 - 1; ++kk) {
-        const int kF_dst = -kk;
-        const int kF_src = kk + 1;
-        for (int jF = -2 + 1; jF <= ex[1]; ++jF) {
-            for (int iF = -2 + 1; iF <= ex[0]; ++iF) {
-                fh[idx_funcc_F(iF, jF, kF_dst, 2, ex)] =
-                    fh[idx_funcc_F(iF, jF, kF_src, 2, ex)] * SoA[2];
-            }
-        }
-    }
-    /* 输出清零：fxx,fyy,fzz,fxy,fxz,fyz = 0 */
-    // const size_t all = (size_t)ex1 * (size_t)ex2 * (size_t)ex3;
-    // for (size_t p = 0; p < all; ++p) {
-    //     fxx[p] = ZEO; fyy[p] = ZEO; fzz[p] = ZEO;
-    //     fxy[p] = ZEO; fxz[p] = ZEO; fyz[p] = ZEO;
-    // }
-
-    /*
-     * Fortran:
-     * do k=1,ex3-1
-     * do j=1,ex2-1
-     * do i=1,ex1-1
-     */
-    
-    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                const int iF = i0 + 1;
-                const size_t p = idx_ex(i0, j0, k0, ex);
-
-                /* 高阶分支：i±2,j±2,k±2 都在范围内 */
-                if ((iF + 2) <= imaxF && (iF - 2) >= iminF &&
-                    (jF + 2) <= jmaxF && (jF - 2) >= jminF &&
-                    (kF + 2) <= kmaxF && (kF - 2) >= kminF)
-                {
-                    fxx[p] = Fdxdx * (
-                        -fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fyy[p] = Fdydy * (
-                        -fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fzz[p] = Fdzdz * (
-                        -fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-                        F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)] +
-                        F16 * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-
-                    /* fxy 高阶：完全照搬 Fortran 的括号结构 */
-                    {
-                        const double t_jm2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF - 2, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 2, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 2, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF - 2, kF, ex)] );
-
-                        const double t_jm1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF - 1, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF - 1, kF, ex)] );
-
-                        const double t_jp1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF + 1, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF + 1, kF, ex)] );
-
-                        const double t_jp2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF + 2, kF, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF + 2, kF, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF + 2, kF, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF + 2, kF, ex)] );
-
-                        fxy[p] = Fdxdy * ( t_jm2 - F8 * t_jm1 + F8 * t_jp1 - t_jp2 );
-                    }
-
-                    /* fxz 高阶 */
-                    {
-                        const double t_km2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 2, ex)] );
-
-                        const double t_km1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 1, ex)] );
-
-                        const double t_kp1 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 1, ex)] );
-
-                        const double t_kp2 =
-                            ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 2, ex)] );
-
-                        fxz[p] = Fdxdz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-                    }
-
-                    /* fyz 高阶 */
-                    {
-                        const double t_km2 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 2, ex)] );
-
-                        const double t_km1 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 1, ex)] );
-
-                        const double t_kp1 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 1, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 1, ex)] );
-
-                        const double t_kp2 =
-                            ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 2, ex)]
-                             -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 2, ex)]
-                             +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 2, ex)]
-                             -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 2, ex)] );
-
-                        fyz[p] = Fdydz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-                    }
-                }
-                /* 二阶分支：i±1,j±1,k±1 在范围内 */
-                else if ((iF + 1) <= imaxF && (iF - 1) >= iminF &&
-                         (jF + 1) <= jmaxF && (jF - 1) >= jminF &&
-                         (kF + 1) <= kmaxF && (kF - 1) >= kminF)
-                {
-                    fxx[p] = Sdxdx * (
-                        fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fyy[p] = Sdydy * (
-                        fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fzz[p] = Sdzdz * (
-                        fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-                        TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-
-                    fxy[p] = Sdxdy * (
-                        fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)] -
-                        fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)] -
-                        fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                    );
-
-                    fxz[p] = Sdxdz * (
-                        fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)] +
-                        fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                    );
-
-                    fyz[p] = Sdydz * (
-                        fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)] -
-                        fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)] +
-                        fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                    );
-                }else{
-                    fxx[p] = 0.0;
-                    fyy[p] = 0.0;
-                    fzz[p] = 0.0;
-                    fxy[p] = 0.0;
-                    fxz[p] = 0.0;
-                    fyz[p] = 0.0;
-                }
-            }
-        }
-    }
-    // free(fh);
-}

AMSS_NCKU_source/xh_fderivs.C

@@ -1,145 +0,0 @@
-#include "xh_tool.h"
-
-/*
- * C 版 fderivs
- *
- * Fortran:
- * subroutine fderivs(ex,f,fx,fy,fz,X,Y,Z,SYM1,SYM2,SYM3,symmetry,onoff)
- *
- * 约定：
- *   f, fx, fy, fz: ex1*ex2*ex3，按 idx_ex 布局
- *   X: ex1, Y: ex2, Z: ex3
- */
-void fderivs(const int ex[3],
-             const double *f,
-             double *fx, double *fy, double *fz,
-             const double *X, const double *Y, const double *Z,
-             double SYM1, double SYM2, double SYM3,
-             int Symmetry, int onoff)
-{
-    (void)onoff; // Fortran 里没用到
-
-    const double ZEO = 0.0, ONE = 1.0;
-    const double TWO = 2.0, EIT = 8.0;
-    const double F12 = 12.0;
-
-    const int NO_SYMM = 0, EQ_SYMM = 1; // OCTANT=2 在本子程序里不直接用
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    // dX = X(2)-X(1) -> C: X[1]-X[0]
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-
-    int iminF = 1, jminF = 1, kminF = 1;
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -1;
-    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -1;
-
-    // SoA(1:3) = SYM1,SYM2,SYM3
-    const double SoA[3] = { SYM1, SYM2, SYM3 };
-
-    // fh: (ex1+2)*(ex2+2)*(ex3+2) because ord=2
-    const size_t nx = (size_t)ex1 + 2;
-    const size_t ny = (size_t)ex2 + 2;
-    const size_t nz = (size_t)ex3 + 2;
-    const size_t fh_size = nx * ny * nz;
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    // double *fh = (double*)malloc(fh_size * sizeof(double));
-    if (!fh) return;
-
-    // call symmetry_bd(2,ex,f,fh,SoA)
-    symmetry_bd(2, ex, f, fh, SoA);
-
-    const double d12dx = ONE / F12 / dX;
-    const double d12dy = ONE / F12 / dY;
-    const double d12dz = ONE / F12 / dZ;
-
-    const double d2dx  = ONE / TWO / dX;
-    const double d2dy  = ONE / TWO / dY;
-    const double d2dz  = ONE / TWO / dZ;
-
-    // fx = fy = fz = 0
-    const size_t all = (size_t)ex1 * (size_t)ex2 * (size_t)ex3;
-    for (size_t p = 0; p < all; ++p) {
-        fx[p] = ZEO;
-        fy[p] = ZEO;
-        fz[p] = ZEO;
-    }
-
-    /*
-     * Fortran loops:
-     * do k=1,ex3-1
-     * do j=1,ex2-1
-     * do i=1,ex1-1
-     *
-     * C: k0=0..ex3-2, j0=0..ex2-2, i0=0..ex1-2
-     */
-    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                const int iF = i0 + 1;
-                const size_t p = idx_ex(i0, j0, k0, ex);
-
-                // if(i+2 <= imax .and. i-2 >= imin ... )  (全是 Fortran 索引)
-                if ((iF + 2) <= ex1 && (iF - 2) >= iminF &&
-                    (jF + 2) <= ex2 && (jF - 2) >= jminF &&
-                    (kF + 2) <= ex3 && (kF - 2) >= kminF)
-                {
-                    fx[p] = d12dx * (
-                        fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] -
-                        EIT * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] +
-                        EIT * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)]
-                    );
-
-                    fy[p] = d12dy * (
-                        fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] -
-                        EIT * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] +
-                        EIT * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)]
-                    );
-
-                    fz[p] = d12dz * (
-                        fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] -
-                        EIT * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] +
-                        EIT * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)] -
-                        fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)]
-                    );
-                }
-                // elseif(i+1 <= imax .and. i-1 >= imin ...)
-                else if ((iF + 1) <= ex1 && (iF - 1) >= iminF &&
-                         (jF + 1) <= ex2 && (jF - 1) >= jminF &&
-                         (kF + 1) <= ex3 && (kF - 1) >= kminF)
-                {
-                    fx[p] = d2dx * (
-                        -fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] +
-                         fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-                    );
-
-                    fy[p] = d2dy * (
-                        -fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] +
-                         fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-                    );
-
-                    fz[p] = d2dz * (
-                        -fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] +
-                         fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-                    );
-                }
-            }
-        }
-    }
-
-    // free(fh);
-}

AMSS_NCKU_source/xh_global_interp.C

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

AMSS_NCKU_source/xh_global_interp.h

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

AMSS_NCKU_source/xh_kodiss.C

@@ -1,116 +0,0 @@
-#include "xh_tool.h"
-
-/*
- * C 版 kodis
- *
- * Fortran signature:
- * subroutine kodis(ex,X,Y,Z,f,f_rhs,SoA,Symmetry,eps)
- *
- * 约定：
- *   X: ex1, Y: ex2, Z: ex3
- *   f, f_rhs: ex1*ex2*ex3 按 idx_ex 布局
- *   SoA[3]
- *   eps: double
- */
-void kodis(const int ex[3],
-           const double *X, const double *Y, const double *Z,
-           const double *f, double *f_rhs,
-           const double SoA[3],
-           int Symmetry, double eps)
-{
-    const double ONE = 1.0, SIX = 6.0, FIT = 15.0, TWT = 20.0;
-    const double cof = 64.0;             // 2^6
-    const int NO_SYMM = 0, OCTANT = 2;
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    // Fortran: dX = X(2)-X(1) -> C: X[1]-X[0]
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-    (void)ONE; // ONE 在原 Fortran 里只是参数，这里不一定用得上
-
-    // Fortran: imax=ex(1) 等是 1-based 上界
-    const int imaxF = ex1;
-    const int jmaxF = ex2;
-    const int kmaxF = ex3;
-
-    // Fortran: imin=jmin=kmin=1，某些对称情况变 -2
-    int iminF = 1, jminF = 1, kminF = 1;
-
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -2;
-    if (Symmetry == OCTANT && fabs(X[0]) < dX) iminF = -2;
-    if (Symmetry == OCTANT && fabs(Y[0]) < dY) jminF = -2;
-
-    // 分配 fh：大小 (ex1+3)*(ex2+3)*(ex3+3)，对应 ord=3
-    const size_t nx = (size_t)ex1 + 3;
-    const size_t ny = (size_t)ex2 + 3;
-    const size_t nz = (size_t)ex3 + 3;
-    const size_t fh_size = nx * ny * nz;
-
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    if (!fh) return;
-
-    // Fortran: call symmetry_bd(3,ex,f,fh,SoA)
-    symmetry_bd(3, ex, f, fh, SoA);
-
-    /*
-     * Fortran loops:
-     * do k=1,ex3
-     * do j=1,ex2
-     * do i=1,ex1
-     *
-     * C: k0=0..ex3-1, j0=0..ex2-1, i0=0..ex1-1
-     * 并定义 Fortran index: iF=i0+1, ...
-     */
-    for (int k0 = 0; k0 < ex3; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 < ex2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 < ex1; ++i0) {
-                const int iF = i0 + 1;
-
-                // Fortran if 条件：
-                // i-3 >= imin .and. i+3 <= imax  等（都是 Fortran 索引）
-                if ((iF - 3) >= iminF && (iF + 3) <= imaxF &&
-                    (jF - 3) >= jminF && (jF + 3) <= jmaxF &&
-                    (kF - 3) >= kminF && (kF + 3) <= kmaxF)
-                {
-                    const size_t p = idx_ex(i0, j0, k0, ex);
-
-                    // 三个方向各一份同型的 7 点组合（实际上是对称的 6th-order dissipation/filter 核）
-                    const double Dx_term =
-                        ( (fh[idx_fh_F(iF - 3, jF, kF, ex)] + fh[idx_fh_F(iF + 3, jF, kF, ex)]) -
-                          SIX * (fh[idx_fh_F(iF - 2, jF, kF, ex)] + fh[idx_fh_F(iF + 2, jF, kF, ex)]) +
-                          FIT * (fh[idx_fh_F(iF - 1, jF, kF, ex)] + fh[idx_fh_F(iF + 1, jF, kF, ex)]) -
-                          TWT *  fh[idx_fh_F(iF    , jF, kF, ex)] ) / dX;
-
-                    const double Dy_term =
-                        ( (fh[idx_fh_F(iF, jF - 3, kF, ex)] + fh[idx_fh_F(iF, jF + 3, kF, ex)]) -
-                          SIX * (fh[idx_fh_F(iF, jF - 2, kF, ex)] + fh[idx_fh_F(iF, jF + 2, kF, ex)]) +
-                          FIT * (fh[idx_fh_F(iF, jF - 1, kF, ex)] + fh[idx_fh_F(iF, jF + 1, kF, ex)]) -
-                          TWT *  fh[idx_fh_F(iF, jF    , kF, ex)] ) / dY;
-
-                    const double Dz_term =
-                        ( (fh[idx_fh_F(iF, jF, kF - 3, ex)] + fh[idx_fh_F(iF, jF, kF + 3, ex)]) -
-                          SIX * (fh[idx_fh_F(iF, jF, kF - 2, ex)] + fh[idx_fh_F(iF, jF, kF + 2, ex)]) +
-                          FIT * (fh[idx_fh_F(iF, jF, kF - 1, ex)] + fh[idx_fh_F(iF, jF, kF + 1, ex)]) -
-                          TWT *  fh[idx_fh_F(iF, jF, kF    , ex)] ) / dZ;
-
-                    // Fortran:
-                    // f_rhs(i,j,k) = f_rhs(i,j,k) + eps/cof*(Dx_term + Dy_term + Dz_term)
-                    f_rhs[p] += (eps / cof) * (Dx_term + Dy_term + Dz_term);
-                }
-            }
-        }
-    }
-
-    // free(fh);
-}

AMSS_NCKU_source/xh_lopsided.C

@@ -1,262 +0,0 @@
-#include "xh_tool.h"
-/*
- * 你需要提供 symmetry_bd 的 C 版本（或 Fortran 绑到 C 的接口）。
- * Fortran: call symmetry_bd(3,ex,f,fh,SoA)
- *
- * 约定：
- *   nghost = 3
- *   ex[3]  = {ex1,ex2,ex3}
- *   f      = 原始网格 (ex1*ex2*ex3)
- *   fh     = 扩展网格 ((ex1+3)*(ex2+3)*(ex3+3))，对应 Fortran 的 (-2:ex1, ...)
- *   SoA[3] = 输入参数
- */
-void lopsided(const int ex[3],
-              const double *X, const double *Y, const double *Z,
-              const double *f, double *f_rhs,
-              const double *Sfx, const double *Sfy, const double *Sfz,
-              int Symmetry, const double SoA[3])
-{
-    const double ZEO = 0.0, ONE = 1.0, F3 = 3.0;
-    const double TWO = 2.0, F6 = 6.0, F18 = 18.0;
-    const double F12 = 12.0, F10 = 10.0, EIT = 8.0;
-
-    const int NO_SYMM = 0, EQ_SYMM = 1, OCTANT = 2;
-    (void)OCTANT; // 这里和 Fortran 一样只是定义了不用也没关系
-
-    const int ex1 = ex[0], ex2 = ex[1], ex3 = ex[2];
-
-    // 对应 Fortran: dX = X(2)-X(1)  （Fortran 1-based）
-    // C: X[1]-X[0]
-    const double dX = X[1] - X[0];
-    const double dY = Y[1] - Y[0];
-    const double dZ = Z[1] - Z[0];
-
-    const double d12dx = ONE / F12 / dX;
-    const double d12dy = ONE / F12 / dY;
-    const double d12dz = ONE / F12 / dZ;
-
-    // Fortran 里算了 d2dx/d2dy/d2dz 但本 subroutine 里没用到（保持一致也算出来）
-    const double d2dx  = ONE / TWO / dX;
-    const double d2dy  = ONE / TWO / dY;
-    const double d2dz  = ONE / TWO / dZ;
-    (void)d2dx; (void)d2dy; (void)d2dz;
-
-    // Fortran:
-    // imax = ex(1); jmax = ex(2); kmax = ex(3)
-    const int imaxF = ex1;
-    const int jmaxF = ex2;
-    const int kmaxF = ex3;
-
-    // Fortran:
-    // imin=jmin=kmin=1; 若满足对称条件则设为 -2
-    int iminF = 1, jminF = 1, kminF = 1;
-    if (Symmetry > NO_SYMM && fabs(Z[0]) < dZ) kminF = -2;
-    if (Symmetry > EQ_SYMM && fabs(X[0]) < dX) iminF = -2;
-    if (Symmetry > EQ_SYMM && fabs(Y[0]) < dY) jminF = -2;
-
-    // 分配 fh：大小 (ex1+3)*(ex2+3)*(ex3+3)
-    const size_t nx = (size_t)ex1 + 3;
-    const size_t ny = (size_t)ex2 + 3;
-    const size_t nz = (size_t)ex3 + 3;
-    const size_t fh_size = nx * ny * nz;
-
-    static thread_local double *fh = NULL;
-    static thread_local size_t cap = 0;
-
-    if (fh_size > cap) {
-        free(fh);
-        fh = (double*)aligned_alloc(64, fh_size * sizeof(double));
-        cap = fh_size;
-    }
-    if (!fh) return; // 内存不足：直接返回（你也可以改成 abort/报错）
-
-    // Fortran: call symmetry_bd(3,ex,f,fh,SoA)
-    symmetry_bd(3, ex, f, fh, SoA);
-
-    /*
-     * Fortran 主循环：
-     * do k=1,ex(3)-1
-     * do j=1,ex(2)-1
-     * do i=1,ex(1)-1
-     *
-     * 转成 C 0-based：
-     * k0 = 0..ex3-2, j0 = 0..ex2-2, i0 = 0..ex1-2
-     *
-     * 并且 Fortran 里的 i/j/k 在 fh 访问时，仍然是 Fortran 索引值：
-     * iF=i0+1, jF=j0+1, kF=k0+1
-     */
-    for (int k0 = 0; k0 <= ex3 - 2; ++k0) {
-        const int kF = k0 + 1;
-        for (int j0 = 0; j0 <= ex2 - 2; ++j0) {
-            const int jF = j0 + 1;
-            for (int i0 = 0; i0 <= ex1 - 2; ++i0) {
-                const int iF = i0 + 1;
-
-                const size_t p = idx_ex(i0, j0, k0, ex);
-
-                // ---------------- x direction ----------------
-                const double sfx = Sfx[p];
-                if (sfx > ZEO) {
-                    // Fortran: if(i+3 <= imax)
-                    // iF+3 <= ex1  <=> i0+4 <= ex1 <=> i0 <= ex1-4
-                    if (i0 <= ex1 - 4) {
-                        f_rhs[p] += sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF + 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF + 3, jF, kF, ex)]);
-                    }
-                    // elseif(i+2 <= imax)  <=> i0 <= ex1-3
-                    else if (i0 <= ex1 - 3) {
-                        f_rhs[p] += sfx * d12dx *
-                            ( fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -      fh[idx_fh_F(iF + 2, jF, kF, ex)]);
-                    }
-                    // elseif(i+1 <= imax)  <=> i0 <= ex1-2（循环里总成立）
-                    else if (i0 <= ex1 - 2) {
-                        f_rhs[p] -= sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF - 3, jF, kF, ex)]);
-                    }
-                } else if (sfx < ZEO) {
-                    // Fortran: if(i-3 >= imin)
-                    // (iF-3) >= iminF  <=> (i0-2) >= iminF
-                    if ((i0 - 2) >= iminF) {
-                        f_rhs[p] -= sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF - 3, jF, kF, ex)]);
-                    }
-                    // elseif(i-2 >= imin) <=> (i0-1) >= iminF
-                    else if ((i0 - 1) >= iminF) {
-                        f_rhs[p] += sfx * d12dx *
-                            ( fh[idx_fh_F(iF - 2, jF, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -      fh[idx_fh_F(iF + 2, jF, kF, ex)]);
-                    }
-                    // elseif(i-1 >= imin) <=> i0 >= iminF
-                    else if (i0 >= iminF) {
-                        f_rhs[p] += sfx * d12dx *
-                            (-F3  * fh[idx_fh_F(iF - 1, jF, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF    , jF, kF, ex)]
-                             +F18 * fh[idx_fh_F(iF + 1, jF, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF + 2, jF, kF, ex)]
-                             +      fh[idx_fh_F(iF + 3, jF, kF, ex)]);
-                    }
-                }
-
-                // ---------------- y direction ----------------
-                const double sfy = Sfy[p];
-                if (sfy > ZEO) {
-                    // jF+3 <= ex2 <=> j0+4 <= ex2 <=> j0 <= ex2-4
-                    if (j0 <= ex2 - 4) {
-                        f_rhs[p] += sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF + 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF + 3, kF, ex)]);
-                    } else if (j0 <= ex2 - 3) {
-                        f_rhs[p] += sfy * d12dy *
-                            ( fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -      fh[idx_fh_F(iF, jF + 2, kF, ex)]);
-                    } else if (j0 <= ex2 - 2) {
-                        f_rhs[p] -= sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF - 3, kF, ex)]);
-                    }
-                } else if (sfy < ZEO) {
-                    if ((j0 - 2) >= jminF) {
-                        f_rhs[p] -= sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF - 3, kF, ex)]);
-                    } else if ((j0 - 1) >= jminF) {
-                        f_rhs[p] += sfy * d12dy *
-                            ( fh[idx_fh_F(iF, jF - 2, kF, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -      fh[idx_fh_F(iF, jF + 2, kF, ex)]);
-                    } else if (j0 >= jminF) {
-                        f_rhs[p] += sfy * d12dy *
-                            (-F3  * fh[idx_fh_F(iF, jF - 1, kF, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF    , kF, ex)]
-                             +F18 * fh[idx_fh_F(iF, jF + 1, kF, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF + 2, kF, ex)]
-                             +      fh[idx_fh_F(iF, jF + 3, kF, ex)]);
-                    }
-                }
-
-                // ---------------- z direction ----------------
-                const double sfz = Sfz[p];
-                if (sfz > ZEO) {
-                    if (k0 <= ex3 - 4) {
-                        f_rhs[p] += sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF + 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF + 3, ex)]);
-                    } else if (k0 <= ex3 - 3) {
-                        f_rhs[p] += sfz * d12dz *
-                            ( fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -      fh[idx_fh_F(iF, jF, kF + 2, ex)]);
-                    } else if (k0 <= ex3 - 2) {
-                        f_rhs[p] -= sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF - 3, ex)]);
-                    }
-                } else if (sfz < ZEO) {
-                    if ((k0 - 2) >= kminF) {
-                        f_rhs[p] -= sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF - 3, ex)]);
-                    } else if ((k0 - 1) >= kminF) {
-                        f_rhs[p] += sfz * d12dz *
-                            ( fh[idx_fh_F(iF, jF, kF - 2, ex)]
-                             -EIT * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             +EIT * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -      fh[idx_fh_F(iF, jF, kF + 2, ex)]);
-                    } else if (k0 >= kminF) {
-                        f_rhs[p] += sfz * d12dz *
-                            (-F3  * fh[idx_fh_F(iF, jF, kF - 1, ex)]
-                             -F10 * fh[idx_fh_F(iF, jF, kF    , ex)]
-                             +F18 * fh[idx_fh_F(iF, jF, kF + 1, ex)]
-                             -F6  * fh[idx_fh_F(iF, jF, kF + 2, ex)]
-                             +      fh[idx_fh_F(iF, jF, kF + 3, ex)]);
-                    }
-                }
-            }
-        }
-    }
-    // free(fh);
-}
-
-
-
-
-

AMSS_NCKU_source/xh_po.h

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

AMSS_NCKU_source/xh_polint3.C

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

AMSS_NCKU_source/xh_share_func.h

@@ -1,338 +0,0 @@
-#ifndef SHARE_FUNC_H
-#define SHARE_FUNC_H
-
-#include <stdlib.h>
-#include <stddef.h>
-#include <math.h>
-#include <stdio.h>
-#include <omp.h>
-/* 主网格：0-based -> 1D */
-static inline size_t idx_ex(int i0, int j0, int k0, const int ex[3]) {
-    const int ex1 = ex[0], ex2 = ex[1];
-    return (size_t)i0 + (size_t)j0 * (size_t)ex1 + (size_t)k0 * (size_t)ex1 * (size_t)ex2;
-}
-
-/*
- * fh 对应 Fortran: fh(-1:ex1, -1:ex2, -1:ex3)
- * ord=2 => shift=1
- * iF/jF/kF 为 Fortran 索引（可为 -1,0,1..ex）
- */
-static inline size_t idx_fh_F_ord2(int iF, int jF, int kF, const int ex[3]) {
-    const int shift = 1;
-    const int nx = ex[0] + 2;      // ex1 + ord
-    const int ny = ex[1] + 2;
-
-    const int ii = iF + shift;     // 0..ex1+1
-    const int jj = jF + shift;     // 0..ex2+1
-    const int kk = kF + shift;     // 0..ex3+1
-
-    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
-}
-
-/*
- * fh 对应 Fortran: fh(-2:ex1, -2:ex2, -2:ex3)
- * ord=3 => shift=2
- * iF/jF/kF 是 Fortran 索引（可为负）
- */
-static inline size_t idx_fh_F(int iF, int jF, int kF, const int ex[3]) {
-    const int shift = 2;                 // ord=3 -> -2..ex
-    const int nx = ex[0] + 3;            // ex1 + ord
-    const int ny = ex[1] + 3;
-
-    const int ii = iF + shift;           // 0..ex1+2
-    const int jj = jF + shift;           // 0..ex2+2
-    const int kk = kF + shift;           // 0..ex3+2
-
-    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
-}
-
-/*
- * func:  (1..extc1, 1..extc2, 1..extc3)   1-based in Fortran
- * funcc: (-ord+1..extc1, -ord+1..extc2, -ord+1..extc3) in Fortran
- *
- * C 里我们把：
- *   func  视为 0-based: i0=0..extc1-1, j0=0..extc2-1, k0=0..extc3-1
- *   funcc 用“平移下标”存为一维数组：
- *     iF in [-ord+1..extc1]  -> ii = iF + (ord-1)  in [0..extc1+ord-1]
- *     总长度 nx = extc1 + ord
- *     同理 ny = extc2 + ord, nz = extc3 + ord
- */
-
-static inline size_t idx_func0(int i0, int j0, int k0, const int extc[3]) {
-    const int nx = extc[0], ny = extc[1];
-    return (size_t)i0 + (size_t)j0 * (size_t)nx + (size_t)k0 * (size_t)nx * (size_t)ny;
-}
-
-static inline size_t idx_funcc_F(int iF, int jF, int kF, int ord, const int extc[3]) {
-    const int shift = ord - 1;          // iF = -shift .. extc1
-    const int nx = extc[0] + ord;       // [-shift..extc1] 共 extc1+ord 个
-    const int ny = extc[1] + ord;
-
-    const int ii = iF + shift;          // 0..extc1+shift
-    const int jj = jF + shift;          // 0..extc2+shift
-    const int kk = kF + shift;          // 0..extc3+shift
-
-    return (size_t)ii + (size_t)jj * (size_t)nx + (size_t)kk * (size_t)nx * (size_t)ny;
-}
-
-/*
- * 等价于 Fortran:
- * funcc(1:extc1,1:extc2,1:extc3)=func
- * do i=0,ord-1
- *   funcc(-i,1:extc2,1:extc3) = funcc(i+1,1:extc2,1:extc3)*SoA(1)
- * enddo
- * do i=0,ord-1
- *   funcc(:,-i,1:extc3) = funcc(:,i+1,1:extc3)*SoA(2)
- * enddo
- * do i=0,ord-1
- *   funcc(:,:,-i) = funcc(:,:,i+1)*SoA(3)
- * enddo
- */
-static inline void symmetry_bd(int ord,
-                 const int extc[3],
-                 const double *func,
-                 double *funcc,
-                 const double SoA[3])
-{
-    const int extc1 = extc[0], extc2 = extc[1], extc3 = extc[2];
-
-    // 1) funcc(1:extc1,1:extc2,1:extc3) = func
-    // Fortran 的 (iF=1..extc1) 对应 C 的 func(i0=0..extc1-1)
-    for (int k0 = 0; k0 < extc3; ++k0) {
-        for (int j0 = 0; j0 < extc2; ++j0) {
-            for (int i0 = 0; i0 < extc1; ++i0) {
-                const int iF = i0 + 1, jF = j0 + 1, kF = k0 + 1;
-                funcc[idx_funcc_F(iF, jF, kF, ord, extc)] = func[idx_func0(i0, j0, k0, extc)];
-            }
-        }
-    }
-
-    // 2) do i=0..ord-1: funcc(-i, 1:extc2, 1:extc3) = funcc(i+1, ...)*SoA(1)
-    for (int ii = 0; ii <= ord - 1; ++ii) {
-        const int iF_dst = -ii;       // 0, -1, -2, ...
-        const int iF_src = ii + 1;    // 1, 2, 3, ...
-        for (int kF = 1; kF <= extc3; ++kF) {
-            for (int jF = 1; jF <= extc2; ++jF) {
-                funcc[idx_funcc_F(iF_dst, jF, kF, ord, extc)] =
-                    funcc[idx_funcc_F(iF_src, jF, kF, ord, extc)] * SoA[0];
-            }
-        }
-    }
-
-    // 3) do i=0..ord-1: funcc(:,-i, 1:extc3) = funcc(:, i+1, 1:extc3)*SoA(2)
-    // 注意 Fortran 这里的 ":" 表示 iF 从 (-ord+1..extc1) 全覆盖
-    for (int jj = 0; jj <= ord - 1; ++jj) {
-        const int jF_dst = -jj;
-        const int jF_src = jj + 1;
-        for (int kF = 1; kF <= extc3; ++kF) {
-            for (int iF = -ord + 1; iF <= extc1; ++iF) {
-                funcc[idx_funcc_F(iF, jF_dst, kF, ord, extc)] =
-                    funcc[idx_funcc_F(iF, jF_src, kF, ord, extc)] * SoA[1];
-            }
-        }
-    }
-
-    // 4) do i=0..ord-1: funcc(:,:,-i) = funcc(:,:, i+1)*SoA(3)
-    for (int kk = 0; kk <= ord - 1; ++kk) {
-        const int kF_dst = -kk;
-        const int kF_src = kk + 1;
-        for (int jF = -ord + 1; jF <= extc2; ++jF) {
-            for (int iF = -ord + 1; iF <= extc1; ++iF) {
-                funcc[idx_funcc_F(iF, jF, kF_dst, ord, extc)] =
-                    funcc[idx_funcc_F(iF, jF, kF_src, ord, extc)] * SoA[2];
-            }
-        }
-    }
-}
-#endif
-
-/* 你已有的函数：idx_ex / idx_fh_F_ord2 以及 fh 的布局 */
-static inline void fdderivs_xh(
-    int i0, int j0, int k0,
-    const int ex[3],
-    const double *fh,
-    int iminF, int jminF, int kminF,
-    int imaxF, int jmaxF, int kmaxF,
-    double Fdxdx, double Fdydy, double Fdzdz,
-    double Fdxdy, double Fdxdz, double Fdydz,
-    double Sdxdx, double Sdydy, double Sdzdz,
-    double Sdxdy, double Sdxdz, double Sdydz,
-    double *fxx, double *fxy, double *fxz,
-    double *fyy, double *fyz, double *fzz
-){
-    const double F8  = 8.0;
-    const double F16 = 16.0;
-    const double F30 = 30.0;
-    const double TWO = 2.0;
-
-    const int iF = i0 + 1;
-    const int jF = j0 + 1;
-    const int kF = k0 + 1;
-
-    const size_t p = idx_ex(i0, j0, k0, ex);
-
-    /* 高阶分支：i±2,j±2,k±2 都在范围内 */
-    if ((iF + 2) <= imaxF && (iF - 2) >= iminF &&
-        (jF + 2) <= jmaxF && (jF - 2) >= jminF &&
-        (kF + 2) <= kmaxF && (kF - 2) >= kminF)
-    {
-        fxx[p] = Fdxdx * (
-            -fh[idx_fh_F_ord2(iF - 2, jF,     kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-             F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-             fh[idx_fh_F_ord2(iF + 2, jF,     kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-        );
-
-        fyy[p] = Fdydy * (
-            -fh[idx_fh_F_ord2(iF,     jF - 2, kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-             F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-             fh[idx_fh_F_ord2(iF,     jF + 2, kF,     ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-        );
-
-        fzz[p] = Fdzdz * (
-            -fh[idx_fh_F_ord2(iF,     jF,     kF - 2, ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-             F30 * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] -
-             fh[idx_fh_F_ord2(iF,     jF,     kF + 2, ex)] +
-             F16 * fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-        );
-
-        /* fxy 高阶 */
-        {
-            const double t_jm2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF - 2, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF - 2, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF - 2, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF - 2, kF, ex)] );
-
-            const double t_jm1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF - 1, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF - 1, kF, ex)] );
-
-            const double t_jp1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF + 1, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF + 1, kF, ex)] );
-
-            const double t_jp2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF + 2, kF, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF + 2, kF, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF + 2, kF, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF + 2, kF, ex)] );
-
-            fxy[p] = Fdxdy * ( t_jm2 - F8 * t_jm1 + F8 * t_jp1 - t_jp2 );
-        }
-
-        /* fxz 高阶 */
-        {
-            const double t_km2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 2, ex)] );
-
-            const double t_km1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF - 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF - 1, ex)] );
-
-            const double t_kp1 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 1, ex)] );
-
-            const double t_kp2 =
-                ( fh[idx_fh_F_ord2(iF - 2, jF, kF + 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF - 1, jF, kF + 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF + 1, jF, kF + 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF + 2, jF, kF + 2, ex)] );
-
-            fxz[p] = Fdxdz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-        }
-
-        /* fyz 高阶 */
-        {
-            const double t_km2 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 2, ex)] );
-
-            const double t_km1 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF - 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF - 1, ex)] );
-
-            const double t_kp1 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 1, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 1, ex)] );
-
-            const double t_kp2 =
-                ( fh[idx_fh_F_ord2(iF, jF - 2, kF + 2, ex)]
-                 -F8*fh[idx_fh_F_ord2(iF, jF - 1, kF + 2, ex)]
-                 +F8*fh[idx_fh_F_ord2(iF, jF + 1, kF + 2, ex)]
-                 -    fh[idx_fh_F_ord2(iF, jF + 2, kF + 2, ex)] );
-
-            fyz[p] = Fdydz * ( t_km2 - F8 * t_km1 + F8 * t_kp1 - t_kp2 );
-        }
-    }
-    /* 二阶分支：i±1,j±1,k±1 在范围内 */
-    else if ((iF + 1) <= imaxF && (iF - 1) >= iminF &&
-             (jF + 1) <= jmaxF && (jF - 1) >= jminF &&
-             (kF + 1) <= kmaxF && (kF - 1) >= kminF)
-    {
-        fxx[p] = Sdxdx * (
-            fh[idx_fh_F_ord2(iF - 1, jF,     kF,     ex)] -
-            TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-            fh[idx_fh_F_ord2(iF + 1, jF,     kF,     ex)]
-        );
-
-        fyy[p] = Sdydy * (
-            fh[idx_fh_F_ord2(iF,     jF - 1, kF,     ex)] -
-            TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-            fh[idx_fh_F_ord2(iF,     jF + 1, kF,     ex)]
-        );
-
-        fzz[p] = Sdzdz * (
-            fh[idx_fh_F_ord2(iF,     jF,     kF - 1, ex)] -
-            TWO * fh[idx_fh_F_ord2(iF,     jF,     kF,     ex)] +
-            fh[idx_fh_F_ord2(iF,     jF,     kF + 1, ex)]
-        );
-
-        fxy[p] = Sdxdy * (
-            fh[idx_fh_F_ord2(iF - 1, jF - 1, kF, ex)] -
-            fh[idx_fh_F_ord2(iF + 1, jF - 1, kF, ex)] -
-            fh[idx_fh_F_ord2(iF - 1, jF + 1, kF, ex)] +
-            fh[idx_fh_F_ord2(iF + 1, jF + 1, kF, ex)]
-        );
-
-        fxz[p] = Sdxdz * (
-            fh[idx_fh_F_ord2(iF - 1, jF, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF + 1, jF, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF - 1, jF, kF + 1, ex)] +
-            fh[idx_fh_F_ord2(iF + 1, jF, kF + 1, ex)]
-        );
-
-        fyz[p] = Sdydz * (
-            fh[idx_fh_F_ord2(iF, jF - 1, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF, jF + 1, kF - 1, ex)] -
-            fh[idx_fh_F_ord2(iF, jF - 1, kF + 1, ex)] +
-            fh[idx_fh_F_ord2(iF, jF + 1, kF + 1, ex)]
-        );
-    }
-    else {
-        fxx[p] = 0.0; fyy[p] = 0.0; fzz[p] = 0.0;
-        fxy[p] = 0.0; fxz[p] = 0.0; fyz[p] = 0.0;
-    }
-}

AMSS_NCKU_source/xh_tool.h

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

generate_TwoPuncture_input.py

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

makefile_and_run.py

@@ -1,192 +1,175 @@
-
-##################################################################
-##
-## This file defines the commands used to build and run AMSS-NCKU
-## Author: Xiaoqu
-## 2025/01/24
-##
-##################################################################
-
-
-import AMSS_NCKU_Input as input_data
-import subprocess
-import time
-## CPU core binding configuration using taskset
-## taskset ensures all child processes inherit the CPU affinity mask
-## This forces make and all compiler processes to use only nohz_full cores (4-55, 60-111)
-## Format: taskset -c 4-55,60-111 ensures processes only run on these cores
-#NUMACTL_CPU_BIND = "taskset -c 0-111"
-NUMACTL_CPU_BIND = "taskset -c 0-47"
-NUMACTL_CPU_BIND2 = "OMP_NUM_THREADS=48 OMP_PROC_BIND=close OMP_PLACES={0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47} taskset -c 0-47"
-#NUMACTL_CPU_BIND2 = "taskset -c 0-1"
-## 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 = 32
-
-
-##################################################################
-
-
-##################################################################
-
-## Compile the AMSS-NCKU main program ABE
-
-def makefile_ABE():
-
-    print(                                                        )
-    print( " Compiling the AMSS-NCKU executable file ABE/ABEGPU " ) 
-    print(                                                        )
-
-    ## Build command with CPU binding to nohz_full cores
-    if (input_data.GPU_Calculation == "no"):
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABE"
-    elif (input_data.GPU_Calculation == "yes"):
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABEGPU"
-    else:
-        print( " CPU/GPU numerical calculation setting is wrong " )
-        print(                                                    )
- 
-    ## 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)
-
-    ## Read and print output lines as they arrive
-    for line in makefile_process.stdout:
-        print(line, end='')  # stream output in real time
-
-    ## Wait for the process to finish
-    makefile_return_code = makefile_process.wait()
-    if makefile_return_code != 0:
-        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
-        
-    print(                                                                  )
-    print( " Compilation of the AMSS-NCKU executable file ABE is finished " ) 
-    print(                                                                  )
-    
-    return
-        
-##################################################################
-
-
-
-##################################################################
-
-## Compile the AMSS-NCKU TwoPuncture program TwoPunctureABE
-
-def makefile_TwoPunctureABE():
-
-    print(                                                            )
-    print( " Compiling the AMSS-NCKU executable file TwoPunctureABE " )
-    print(                                                            )
-    
-    ## Build command with CPU binding to nohz_full cores
-    makefile_command = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} TwoPunctureABE"
-
-    ## Execute the command with subprocess.Popen and stream output
-    makefile_process = subprocess.Popen(makefile_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True) 
-    
-    ## Read and print output lines as they arrive
-    for line in makefile_process.stdout:
-        print(line, end='')  # stream output in real time
-        
-    ## Wait for the process to finish
-    makefile_return_code = makefile_process.wait()
-    if makefile_return_code != 0:
-        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
-        
-    print(                                                                             )
-    print( " Compilation of the AMSS-NCKU executable file TwoPunctureABE is finished " )
-    print(                                                                             )
-    
-    return
-    
-##################################################################
-
-
-
-##################################################################
-
-## Run the AMSS-NCKU main program ABE
-
-def run_ABE():
-
-    print(                                                      )
-    print( " Running the AMSS-NCKU executable file ABE/ABEGPU " ) 
-    print(                                                      )
-
-    ## Define the command to run; cast other values to strings as needed
-    
-    if (input_data.GPU_Calculation == "no"):
-        #mpi_command         = NUMACTL_CPU_BIND2 + " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
-        #mpi_command         = " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
-        mpi_command = """ OMP_NUM_THREADS=48 OMP_PROC_BIND=close OMP_PLACES=cores mpirun -np 1 --cpu-bind=sockets  ./ABE """
-        mpi_command_outfile = "ABE_out.log"
-    elif (input_data.GPU_Calculation == "yes"):
-        mpi_command         = NUMACTL_CPU_BIND2 + " mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
-        mpi_command_outfile = "ABEGPU_out.log"
- 
-    ## Execute the MPI command and stream output
-    mpi_process = subprocess.Popen(mpi_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
-
-    ## Write ABE run output to file while printing to stdout
-    with open(mpi_command_outfile, 'w') as file0:  
-        ## Read and print output lines; also write each line to file
-        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
-    mpi_return_code = mpi_process.wait()
-    
-    print(                                           )
-    print( " The ABE/ABEGPU simulation is finished " ) 
-    print(                                           )
-    
-    return
-
-##################################################################
-
-
-
-##################################################################
-
-## 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_outfile = "TwoPunctureABE_out.log"
-
-    ## Execute the command with subprocess.Popen and stream output
-    TwoPuncture_process = subprocess.Popen(TwoPuncture_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
-
-    ## Write TwoPunctureABE run output to file while printing to stdout
-    with open(TwoPuncture_command_outfile, 'w') as file0:  
-        ## Read and print output lines; also write each line to file
-        for line in TwoPuncture_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
-    TwoPuncture_command_return_code = TwoPuncture_process.wait()
-    
-    print(                                               )
-    print( " The TwoPunctureABE simulation is finished " ) 
-    print(                                               )
-    tp_time2=time.time()
-    et=tp_time2-tp_time1
-    print(f"Used time: {et}")
-    return
-
-##################################################################
-    
+
+##################################################################
+##
+## This file defines the commands used to build and run AMSS-NCKU
+## Author: Xiaoqu
+## 2025/01/24
+##
+##################################################################
+
+
+import AMSS_NCKU_Input as input_data
+import subprocess
+
+
+##################################################################
+
+
+
+##################################################################
+
+## Compile the AMSS-NCKU main program ABE
+
+def makefile_ABE():
+
+    print(                                                        )
+    print( " Compiling the AMSS-NCKU executable file ABE/ABEGPU " ) 
+    print(                                                        )
+
+    ## Build command
+    if (input_data.GPU_Calculation == "no"):
+        makefile_command  = "make -j4" + " ABE"
+    elif (input_data.GPU_Calculation == "yes"):
+        makefile_command  = "make -j4" + " ABEGPU"
+    else:
+        print( " CPU/GPU numerical calculation setting is wrong " )
+        print(                                                    )
+ 
+    ## 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)
+
+    ## Read and print output lines as they arrive
+    for line in makefile_process.stdout:
+        print(line, end='')  # stream output in real time
+
+    ## Wait for the process to finish
+    makefile_return_code = makefile_process.wait()
+    if makefile_return_code != 0:
+        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
+        
+    print(                                                                  )
+    print( " Compilation of the AMSS-NCKU executable file ABE is finished " ) 
+    print(                                                                  )
+    
+    return
+        
+##################################################################
+
+
+
+##################################################################
+
+## Compile the AMSS-NCKU TwoPuncture program TwoPunctureABE
+
+def makefile_TwoPunctureABE():
+
+    print(                                                            )
+    print( " Compiling the AMSS-NCKU executable file TwoPunctureABE " )
+    print(                                                            )
+    
+    ## Build command
+    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) 
+    
+    ## Read and print output lines as they arrive
+    for line in makefile_process.stdout:
+        print(line, end='')  # stream output in real time
+        
+    ## Wait for the process to finish
+    makefile_return_code = makefile_process.wait()
+    if makefile_return_code != 0:
+        raise subprocess.CalledProcessError(makefile_return_code, makefile_command)
+        
+    print(                                                                             )
+    print( " Compilation of the AMSS-NCKU executable file TwoPunctureABE is finished " )
+    print(                                                                             )
+    
+    return
+    
+##################################################################
+
+
+
+##################################################################
+
+## Run the AMSS-NCKU main program ABE
+
+def run_ABE():
+
+    print(                                                      )
+    print( " Running the AMSS-NCKU executable file ABE/ABEGPU " ) 
+    print(                                                      )
+
+    ## Define the command to run; cast other values to strings as needed
+    
+    if (input_data.GPU_Calculation == "no"):
+        mpi_command         = "mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
+        mpi_command_outfile = "ABE_out.log"
+    elif (input_data.GPU_Calculation == "yes"):
+        mpi_command         = "mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
+        mpi_command_outfile = "ABEGPU_out.log"
+ 
+    ## Execute the MPI command and stream output
+    mpi_process = subprocess.Popen(mpi_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
+
+    ## Write ABE run output to file while printing to stdout
+    with open(mpi_command_outfile, 'w') as file0:  
+        ## Read and print output lines; also write each line to file
+        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
+    mpi_return_code = mpi_process.wait()
+    
+    print(                                           )
+    print( " The ABE/ABEGPU simulation is finished " ) 
+    print(                                           )
+    
+    return
+
+##################################################################
+
+
+
+##################################################################
+
+## Run the AMSS-NCKU TwoPuncture program TwoPunctureABE
+
+def run_TwoPunctureABE():
+
+    print(                                                          )
+    print( " Running the AMSS-NCKU executable file TwoPunctureABE " ) 
+    print(                                                          )
+    
+    ## Define the command to run
+    TwoPuncture_command         = "./TwoPunctureABE"
+    TwoPuncture_command_outfile = "TwoPunctureABE_out.log"
+
+    ## Execute the command with subprocess.Popen and stream output
+    TwoPuncture_process = subprocess.Popen(TwoPuncture_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True)
+
+    ## Write TwoPunctureABE run output to file while printing to stdout
+    with open(TwoPuncture_command_outfile, 'w') as file0:  
+        ## Read and print output lines; also write each line to file
+        for line in TwoPuncture_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
+    TwoPuncture_command_return_code = TwoPuncture_process.wait()
+    
+    print(                                               )
+    print( " The TwoPunctureABE simulation is finished " ) 
+    print(                                               )
+    
+    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
-```

renew_puncture_parameter.py

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