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
-

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_Program.py

@@ -8,14 +8,6 @@
 ##
 ##################################################################
 
-## Guard against re-execution by multiprocessing child processes.
-## Without this, using 'spawn' or 'forkserver' context would cause every
-## worker to re-run the entire script, spawning exponentially more
-## workers (fork bomb).
-if __name__ != '__main__':
-    import sys as _sys
-    _sys.exit(0)
-
 
 ##################################################################
 
@@ -432,31 +424,26 @@ print(
 
 import plot_xiaoqu
 import plot_GW_strain_amplitude_xiaoqu
-from parallel_plot_helper import run_plot_tasks_parallel
-
-plot_tasks = []
 
 ## Plot black hole trajectory
-plot_tasks.append( ( plot_xiaoqu.generate_puncture_orbit_plot,   (binary_results_directory, figure_directory) ) )
+plot_xiaoqu.generate_puncture_orbit_plot(   binary_results_directory, figure_directory )
-plot_tasks.append( ( plot_xiaoqu.generate_puncture_orbit_plot3D, (binary_results_directory, figure_directory) ) )
+plot_xiaoqu.generate_puncture_orbit_plot3D( binary_results_directory, figure_directory )
 
 ## Plot black hole separation vs. time
-plot_tasks.append( ( plot_xiaoqu.generate_puncture_distence_plot, (binary_results_directory, figure_directory) ) )
+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_tasks.append( ( plot_xiaoqu.generate_gravitational_wave_psi4_plot, (binary_results_directory, figure_directory, i) ) )
+    plot_xiaoqu.generate_gravitational_wave_psi4_plot( binary_results_directory, figure_directory, i )
-    plot_tasks.append( ( plot_GW_strain_amplitude_xiaoqu.generate_gravitational_wave_amplitude_plot, (binary_results_directory, figure_directory, i) ) )
+    plot_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_tasks.append( ( plot_xiaoqu.generate_ADMmass_plot, (binary_results_directory, figure_directory, i) ) )
+    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_tasks.append( ( plot_xiaoqu.generate_constraint_check_plot, (binary_results_directory, figure_directory, i) ) )
+    plot_xiaoqu.generate_constraint_check_plot( binary_results_directory, figure_directory, i )
-
-run_plot_tasks_parallel(plot_tasks)
 
 ## Plot stored binary data
 plot_xiaoqu.generate_binary_data_plot( binary_results_directory, figure_directory )

AMSS_NCKU_Verify_ASC26.py

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

AMSS_NCKU_source/FFT.f90

@@ -37,51 +37,57 @@ close(77)
 end program checkFFT
 #endif
 
-!-------------
-! Optimized FFT using Intel oneMKL DFTI
-! Mathematical equivalence: Standard DFT definition
-!   Forward (isign=1):  X[k] = sum_{n=0}^{N-1} x[n] * exp(-2*pi*i*k*n/N)
-!   Backward (isign=-1): X[k] = sum_{n=0}^{N-1} x[n] * exp(+2*pi*i*k*n/N)
-! Input/Output: dataa is interleaved complex array [Re(0),Im(0),Re(1),Im(1),...]
 !-------------
 SUBROUTINE four1(dataa,nn,isign)
-use MKL_DFTI
 implicit none
-INTEGER, intent(in) :: isign, nn
+INTEGER::isign,nn
-DOUBLE PRECISION, dimension(2*nn), intent(inout) :: dataa
+double precision,dimension(2*nn)::dataa
-
+INTEGER::i,istep,j,m,mmax,n
-type(DFTI_DESCRIPTOR), pointer :: desc
+double precision::tempi,tempr
-integer :: status
+DOUBLE PRECISION::theta,wi,wpi,wpr,wr,wtemp
-
+n=2*nn
-! Create DFTI descriptor for 1D complex-to-complex transform
+j=1
-status = DftiCreateDescriptor(desc, DFTI_DOUBLE, DFTI_COMPLEX, 1, nn)
+do i=1,n,2
-if (status /= 0) return
+  if(j.gt.i)then
-
+     tempr=dataa(j)
-! Set input/output storage as interleaved complex (default)
+     tempi=dataa(j+1)
-status = DftiSetValue(desc, DFTI_PLACEMENT, DFTI_INPLACE)
+     dataa(j)=dataa(i)
-if (status /= 0) then
+     dataa(j+1)=dataa(i+1)
-   status = DftiFreeDescriptor(desc)
+     dataa(i)=tempr
-   return
+     dataa(i+1)=tempi
   endif
-
+  m=nn
-! Commit the descriptor
+1 if ((m.ge.2).and.(j.gt.m)) then
-status = DftiCommitDescriptor(desc)
+  j=j-m
-if (status /= 0) then
+  m=m/2
-   status = DftiFreeDescriptor(desc)
+goto 1
-   return
   endif
-
+j=j+m
-! Execute FFT based on direction
+enddo
-if (isign == 1) then
+mmax=2
-   ! Forward FFT: exp(-2*pi*i*k*n/N)
+2  if (n.gt.mmax) then
-   status = DftiComputeForward(desc, dataa)
+     istep=2*mmax
-else
+     theta=6.28318530717959d0/(isign*mmax)
-   ! Backward FFT: exp(+2*pi*i*k*n/N)
+     wpr=-2.d0*sin(0.5d0*theta)**2
-   status = DftiComputeBackward(desc, dataa)
+     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
-
-! Free descriptor
-status = DftiFreeDescriptor(desc)
-
 return
 END SUBROUTINE four1

AMSS_NCKU_source/Parallel.C

@@ -3756,358 +3756,6 @@ void Parallel::Sync(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry)
   delete[] transfer_src;
   delete[] transfer_dst;
 }
-//
-// Async Sync: split into SyncBegin (initiate MPI) and SyncEnd (wait + unpack)
-// This allows overlapping MPI communication with computation.
-//
-static void transfer_begin(Parallel::TransferState *ts)
-{
-  int myrank;
-  MPI_Comm_rank(MPI_COMM_WORLD, &myrank);
-  int cpusize = ts->cpusize;
-
-  ts->reqs = new MPI_Request[2 * cpusize];
-  ts->stats = new MPI_Status[2 * cpusize];
-  ts->req_no = 0;
-  ts->send_data = new double *[cpusize];
-  ts->rec_data = new double *[cpusize];
-  int length;
-
-  for (int node = 0; node < cpusize; node++)
-  {
-    ts->send_data[node] = ts->rec_data[node] = 0;
-    if (node == myrank)
-    {
-      // Local copy: pack then immediately unpack (no MPI needed)
-      if ((length = Parallel::data_packer(0, ts->transfer_src[myrank], ts->transfer_dst[myrank],
-                                          node, PACK, ts->VarList1, ts->VarList2, ts->Symmetry)))
-      {
-        double *local_data = new double[length];
-        if (!local_data)
-        {
-          cout << "out of memory in transfer_begin, local copy" << endl;
-          MPI_Abort(MPI_COMM_WORLD, 1);
-        }
-        Parallel::data_packer(local_data, ts->transfer_src[myrank], ts->transfer_dst[myrank],
-                              node, PACK, ts->VarList1, ts->VarList2, ts->Symmetry);
-        Parallel::data_packer(local_data, ts->transfer_src[node], ts->transfer_dst[node],
-                              node, UNPACK, ts->VarList1, ts->VarList2, ts->Symmetry);
-        delete[] local_data;
-      }
-    }
-    else
-    {
-      // send from this cpu to cpu#node
-      if ((length = Parallel::data_packer(0, ts->transfer_src[myrank], ts->transfer_dst[myrank],
-                                          node, PACK, ts->VarList1, ts->VarList2, ts->Symmetry)))
-      {
-        ts->send_data[node] = new double[length];
-        if (!ts->send_data[node])
-        {
-          cout << "out of memory in transfer_begin, send" << endl;
-          MPI_Abort(MPI_COMM_WORLD, 1);
-        }
-        Parallel::data_packer(ts->send_data[node], ts->transfer_src[myrank], ts->transfer_dst[myrank],
-                              node, PACK, ts->VarList1, ts->VarList2, ts->Symmetry);
-        MPI_Isend((void *)ts->send_data[node], length, MPI_DOUBLE, node, 1, MPI_COMM_WORLD,
-                  ts->reqs + ts->req_no++);
-      }
-      // receive from cpu#node to this cpu
-      if ((length = Parallel::data_packer(0, ts->transfer_src[node], ts->transfer_dst[node],
-                                          node, UNPACK, ts->VarList1, ts->VarList2, ts->Symmetry)))
-      {
-        ts->rec_data[node] = new double[length];
-        if (!ts->rec_data[node])
-        {
-          cout << "out of memory in transfer_begin, recv" << endl;
-          MPI_Abort(MPI_COMM_WORLD, 1);
-        }
-        MPI_Irecv((void *)ts->rec_data[node], length, MPI_DOUBLE, node, 1, MPI_COMM_WORLD,
-                  ts->reqs + ts->req_no++);
-      }
-    }
-  }
-  // NOTE: MPI_Waitall is NOT called here - that happens in transfer_end
-}
-//
-static void transfer_end(Parallel::TransferState *ts)
-{
-  // Wait for all pending MPI operations
-  MPI_Waitall(ts->req_no, ts->reqs, ts->stats);
-
-  // Unpack received data from remote ranks
-  for (int node = 0; node < ts->cpusize; node++)
-    if (ts->rec_data[node])
-      Parallel::data_packer(ts->rec_data[node], ts->transfer_src[node], ts->transfer_dst[node],
-                            node, UNPACK, ts->VarList1, ts->VarList2, ts->Symmetry);
-
-  // Cleanup MPI buffers
-  for (int node = 0; node < ts->cpusize; node++)
-  {
-    if (ts->send_data[node])
-      delete[] ts->send_data[node];
-    if (ts->rec_data[node])
-      delete[] ts->rec_data[node];
-  }
-  delete[] ts->reqs;
-  delete[] ts->stats;
-  delete[] ts->send_data;
-  delete[] ts->rec_data;
-}
-//
-Parallel::SyncHandle *Parallel::SyncBegin(Patch *Pat, MyList<var> *VarList, int Symmetry)
-{
-  int cpusize;
-  MPI_Comm_size(MPI_COMM_WORLD, &cpusize);
-
-  SyncHandle *handle = new SyncHandle;
-  handle->num_states = 1;
-  handle->states = new TransferState[1];
-
-  TransferState *ts = &handle->states[0];
-  ts->cpusize = cpusize;
-  ts->VarList1 = VarList;
-  ts->VarList2 = VarList;
-  ts->Symmetry = Symmetry;
-  ts->owns_gsl = true;
-
-  ts->dst = build_ghost_gsl(Pat);
-  ts->src = new MyList<Parallel::gridseg> *[cpusize];
-  ts->transfer_src = new MyList<Parallel::gridseg> *[cpusize];
-  ts->transfer_dst = new MyList<Parallel::gridseg> *[cpusize];
-  for (int node = 0; node < cpusize; node++)
-  {
-    ts->src[node] = build_owned_gsl0(Pat, node);
-    build_gstl(ts->src[node], ts->dst, &ts->transfer_src[node], &ts->transfer_dst[node]);
-  }
-
-  transfer_begin(ts);
-
-  return handle;
-}
-//
-Parallel::SyncHandle *Parallel::SyncBegin(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry)
-{
-  int cpusize;
-  MPI_Comm_size(MPI_COMM_WORLD, &cpusize);
-
-  // Count patches
-  int num_patches = 0;
-  MyList<Patch> *Pp = PatL;
-  while (Pp) { num_patches++; Pp = Pp->next; }
-
-  SyncHandle *handle = new SyncHandle;
-  handle->num_states = num_patches + 1; // intra-patch transfers + 1 inter-patch transfer
-  handle->states = new TransferState[handle->num_states];
-
-  // Intra-patch sync: for each patch, build ghost lists and initiate transfer
-  int idx = 0;
-  Pp = PatL;
-  while (Pp)
-  {
-    TransferState *ts = &handle->states[idx];
-    ts->cpusize = cpusize;
-    ts->VarList1 = VarList;
-    ts->VarList2 = VarList;
-    ts->Symmetry = Symmetry;
-    ts->owns_gsl = true;
-
-    ts->dst = build_ghost_gsl(Pp->data);
-    ts->src = new MyList<Parallel::gridseg> *[cpusize];
-    ts->transfer_src = new MyList<Parallel::gridseg> *[cpusize];
-    ts->transfer_dst = new MyList<Parallel::gridseg> *[cpusize];
-    for (int node = 0; node < cpusize; node++)
-    {
-      ts->src[node] = build_owned_gsl0(Pp->data, node);
-      build_gstl(ts->src[node], ts->dst, &ts->transfer_src[node], &ts->transfer_dst[node]);
-    }
-
-    transfer_begin(ts);
-
-    idx++;
-    Pp = Pp->next;
-  }
-
-  // Inter-patch sync: buffer zone exchange between patches
-  {
-    TransferState *ts = &handle->states[idx];
-    ts->cpusize = cpusize;
-    ts->VarList1 = VarList;
-    ts->VarList2 = VarList;
-    ts->Symmetry = Symmetry;
-    ts->owns_gsl = true;
-
-    ts->dst = build_buffer_gsl(PatL);
-    ts->src = new MyList<Parallel::gridseg> *[cpusize];
-    ts->transfer_src = new MyList<Parallel::gridseg> *[cpusize];
-    ts->transfer_dst = new MyList<Parallel::gridseg> *[cpusize];
-    for (int node = 0; node < cpusize; node++)
-    {
-      ts->src[node] = build_owned_gsl(PatL, node, 5, Symmetry);
-      build_gstl(ts->src[node], ts->dst, &ts->transfer_src[node], &ts->transfer_dst[node]);
-    }
-
-    transfer_begin(ts);
-  }
-
-  return handle;
-}
-//
-void Parallel::SyncEnd(SyncHandle *handle)
-{
-  if (!handle)
-    return;
-
-  // Wait for all pending transfers and unpack
-  for (int i = 0; i < handle->num_states; i++)
-  {
-    TransferState *ts = &handle->states[i];
-    transfer_end(ts);
-
-    // Cleanup grid segment lists only if this state owns them
-    if (ts->owns_gsl)
-    {
-      if (ts->dst)
-        ts->dst->destroyList();
-      for (int node = 0; node < ts->cpusize; node++)
-      {
-        if (ts->src[node])
-          ts->src[node]->destroyList();
-        if (ts->transfer_src[node])
-          ts->transfer_src[node]->destroyList();
-        if (ts->transfer_dst[node])
-          ts->transfer_dst[node]->destroyList();
-      }
-      delete[] ts->src;
-      delete[] ts->transfer_src;
-      delete[] ts->transfer_dst;
-    }
-  }
-
-  delete[] handle->states;
-  delete handle;
-}
-//
-// SyncPreparePlan: Pre-build grid segment lists for a patch list.
-// The plan can be reused across multiple SyncBeginWithPlan calls
-// as long as the mesh topology does not change (no regridding).
-//
-Parallel::SyncPlan *Parallel::SyncPreparePlan(MyList<Patch> *PatL, int Symmetry)
-{
-  int cpusize;
-  MPI_Comm_size(MPI_COMM_WORLD, &cpusize);
-
-  // Count patches
-  int num_patches = 0;
-  MyList<Patch> *Pp = PatL;
-  while (Pp) { num_patches++; Pp = Pp->next; }
-
-  SyncPlan *plan = new SyncPlan;
-  plan->num_entries = num_patches + 1; // intra-patch + 1 inter-patch
-  plan->Symmetry = Symmetry;
-  plan->entries = new SyncPlanEntry[plan->num_entries];
-
-  // Intra-patch entries: ghost zone exchange within each patch
-  int idx = 0;
-  Pp = PatL;
-  while (Pp)
-  {
-    SyncPlanEntry *pe = &plan->entries[idx];
-    pe->cpusize = cpusize;
-    pe->dst = build_ghost_gsl(Pp->data);
-    pe->src = new MyList<Parallel::gridseg> *[cpusize];
-    pe->transfer_src = new MyList<Parallel::gridseg> *[cpusize];
-    pe->transfer_dst = new MyList<Parallel::gridseg> *[cpusize];
-    for (int node = 0; node < cpusize; node++)
-    {
-      pe->src[node] = build_owned_gsl0(Pp->data, node);
-      build_gstl(pe->src[node], pe->dst, &pe->transfer_src[node], &pe->transfer_dst[node]);
-    }
-    idx++;
-    Pp = Pp->next;
-  }
-
-  // Inter-patch entry: buffer zone exchange between patches
-  {
-    SyncPlanEntry *pe = &plan->entries[idx];
-    pe->cpusize = cpusize;
-    pe->dst = build_buffer_gsl(PatL);
-    pe->src = new MyList<Parallel::gridseg> *[cpusize];
-    pe->transfer_src = new MyList<Parallel::gridseg> *[cpusize];
-    pe->transfer_dst = new MyList<Parallel::gridseg> *[cpusize];
-    for (int node = 0; node < cpusize; node++)
-    {
-      pe->src[node] = build_owned_gsl(PatL, node, 5, Symmetry);
-      build_gstl(pe->src[node], pe->dst, &pe->transfer_src[node], &pe->transfer_dst[node]);
-    }
-  }
-
-  return plan;
-}
-//
-void Parallel::SyncFreePlan(SyncPlan *plan)
-{
-  if (!plan)
-    return;
-
-  for (int i = 0; i < plan->num_entries; i++)
-  {
-    SyncPlanEntry *pe = &plan->entries[i];
-    if (pe->dst)
-      pe->dst->destroyList();
-    for (int node = 0; node < pe->cpusize; node++)
-    {
-      if (pe->src[node])
-        pe->src[node]->destroyList();
-      if (pe->transfer_src[node])
-        pe->transfer_src[node]->destroyList();
-      if (pe->transfer_dst[node])
-        pe->transfer_dst[node]->destroyList();
-    }
-    delete[] pe->src;
-    delete[] pe->transfer_src;
-    delete[] pe->transfer_dst;
-  }
-  delete[] plan->entries;
-  delete plan;
-}
-//
-// SyncBeginWithPlan: Use pre-built GSLs from a SyncPlan to initiate async transfer.
-// This avoids the O(cpusize * blocks^2) cost of rebuilding GSLs on every call.
-//
-Parallel::SyncHandle *Parallel::SyncBeginWithPlan(SyncPlan *plan, MyList<var> *VarList)
-{
-  return SyncBeginWithPlan(plan, VarList, VarList);
-}
-//
-Parallel::SyncHandle *Parallel::SyncBeginWithPlan(SyncPlan *plan, MyList<var> *VarList1, MyList<var> *VarList2)
-{
-  SyncHandle *handle = new SyncHandle;
-  handle->num_states = plan->num_entries;
-  handle->states = new TransferState[handle->num_states];
-
-  for (int i = 0; i < plan->num_entries; i++)
-  {
-    SyncPlanEntry *pe = &plan->entries[i];
-    TransferState *ts = &handle->states[i];
-
-    ts->cpusize = pe->cpusize;
-    ts->VarList1 = VarList1;
-    ts->VarList2 = VarList2;
-    ts->Symmetry = plan->Symmetry;
-    ts->owns_gsl = false; // GSLs are owned by the plan, not this handle
-
-    // Borrow GSL pointers from the plan (do NOT free them in SyncEnd)
-    ts->transfer_src = pe->transfer_src;
-    ts->transfer_dst = pe->transfer_dst;
-    ts->src = pe->src;
-    ts->dst = pe->dst;
-
-    transfer_begin(ts);
-  }
-
-  return handle;
-}
 // collect buffer grid segments or blocks for the periodic boundary condition of given patch
 // ---------------------------------------------------
 // |con |                                       |con |

AMSS_NCKU_source/Parallel.h

@@ -81,53 +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);
-
-  // Async Sync: overlap MPI communication with computation
-  struct TransferState
-  {
-    MPI_Request *reqs;
-    MPI_Status *stats;
-    int req_no;
-    double **send_data;
-    double **rec_data;
-    int cpusize;
-    MyList<gridseg> **transfer_src;
-    MyList<gridseg> **transfer_dst;
-    MyList<gridseg> **src;
-    MyList<gridseg> *dst;
-    MyList<var> *VarList1;
-    MyList<var> *VarList2;
-    int Symmetry;
-    bool owns_gsl; // true if this state owns and should free the GSLs
-  };
-  struct SyncHandle
-  {
-    TransferState *states;
-    int num_states;
-  };
-  SyncHandle *SyncBegin(Patch *Pat, MyList<var> *VarList, int Symmetry);
-  SyncHandle *SyncBegin(MyList<Patch> *PatL, MyList<var> *VarList, int Symmetry);
-  void SyncEnd(SyncHandle *handle);
-
-  // Cached GSL plan: pre-build grid segment lists once, reuse across multiple Sync calls
-  struct SyncPlanEntry
-  {
-    int cpusize;
-    MyList<gridseg> **transfer_src;
-    MyList<gridseg> **transfer_dst;
-    MyList<gridseg> **src;
-    MyList<gridseg> *dst;
-  };
-  struct SyncPlan
-  {
-    SyncPlanEntry *entries;
-    int num_entries;
-    int Symmetry;
-  };
-  SyncPlan *SyncPreparePlan(MyList<Patch> *PatL, int Symmetry);
-  void SyncFreePlan(SyncPlan *plan);
-  SyncHandle *SyncBeginWithPlan(SyncPlan *plan, MyList<var> *VarList);
-  SyncHandle *SyncBeginWithPlan(SyncPlan *plan, MyList<var> *VarList1, MyList<var> *VarList2);
   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
@@ -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)

AMSS_NCKU_source/Z4c_class.C

@@ -186,12 +186,6 @@ void Z4c_class::Step(int lev, int YN)
   int ERROR = 0;
 
   MyList<ss_patch> *sPp;
-
-  // Pre-build grid segment lists once for this level's patches.
-  // These are reused across predictor + 3 corrector SyncBegin calls,
-  // avoiding O(cpusize * blocks^2) rebuild each time.
-  Parallel::SyncPlan *sync_plan = Parallel::SyncPreparePlan(GH->PatL[lev], Symmetry);
-
   // Predictor
   MyList<Patch> *Pp = GH->PatL[lev];
   while (Pp)
@@ -327,17 +321,13 @@ void Z4c_class::Step(int lev, int YN)
     }
     Pp = Pp->next;
   }
-  // Start async ghost zone exchange - overlaps with error check and Shell computation
+  // check error information
-  Parallel::SyncHandle *sync_pre = Parallel::SyncBeginWithPlan(sync_plan, SynchList_pre);
-
-  // check error information (overlaps with MPI transfer)
   {
     int erh = ERROR;
     MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
   }
   if (ERROR)
   {
-    Parallel::SyncEnd(sync_pre); sync_pre = 0;
     Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
     if (myrank == 0)
     {
@@ -485,7 +475,6 @@ void Z4c_class::Step(int lev, int YN)
   }
   if (ERROR)
   {
-    Parallel::SyncEnd(sync_pre); sync_pre = 0;
     SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
     if (myrank == 0)
     {
@@ -496,8 +485,7 @@ void Z4c_class::Step(int lev, int YN)
   }
 #endif
 
-  // Complete async ghost zone exchange
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
-  if (sync_pre) Parallel::SyncEnd(sync_pre);
 
 #ifdef WithShell
   if (lev == 0)
@@ -705,17 +693,13 @@ void Z4c_class::Step(int lev, int YN)
       Pp = Pp->next;
     }
 
-    // Start async ghost zone exchange - overlaps with error check and Shell computation
+    // check error information
-    Parallel::SyncHandle *sync_cor = Parallel::SyncBeginWithPlan(sync_plan, SynchList_cor);
-
-    // check error information (overlaps with MPI transfer)
     {
       int erh = ERROR;
       MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
     }
     if (ERROR)
     {
-      Parallel::SyncEnd(sync_cor); sync_cor = 0;
       Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
@@ -873,7 +857,6 @@ void Z4c_class::Step(int lev, int YN)
     }
     if (ERROR)
     {
-      Parallel::SyncEnd(sync_cor); sync_cor = 0;
       SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
@@ -885,8 +868,7 @@ void Z4c_class::Step(int lev, int YN)
     }
 #endif
 
-    // Complete async ghost zone exchange
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
-    if (sync_cor) Parallel::SyncEnd(sync_cor);
 
 #ifdef WithShell
     if (lev == 0)
@@ -1060,8 +1042,6 @@ void Z4c_class::Step(int lev, int YN)
       Porg0[ithBH][2] = Porg1[ithBH][2];
     }
   }
-
-  Parallel::SyncFreePlan(sync_plan);
 }
 #else
 // for constraint preserving boundary (CPBC)
@@ -1095,10 +1075,6 @@ void Z4c_class::Step(int lev, int YN)
   int ERROR = 0;
 
   MyList<ss_patch> *sPp;
-
-  // Pre-build grid segment lists once for this level's patches.
-  Parallel::SyncPlan *sync_plan = Parallel::SyncPreparePlan(GH->PatL[lev], Symmetry);
-
   // Predictor
   MyList<Patch> *Pp = GH->PatL[lev];
   while (Pp)
@@ -1566,17 +1542,13 @@ void Z4c_class::Step(int lev, int YN)
   }
 #endif
   }
-  // Start async ghost zone exchange - overlaps with error check
+  // check error information
-  Parallel::SyncHandle *sync_pre = Parallel::SyncBeginWithPlan(sync_plan, SynchList_pre);
-
-  // check error information (overlaps with MPI transfer)
   {
     int erh = ERROR;
     MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
   }
   if (ERROR)
   {
-    Parallel::SyncEnd(sync_pre); sync_pre = 0;
     SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
     if (myrank == 0)
     {
@@ -1586,8 +1558,7 @@ void Z4c_class::Step(int lev, int YN)
     }
   }
 
-  // Complete async ghost zone exchange
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
-  if (sync_pre) Parallel::SyncEnd(sync_pre);
 
   if (lev == 0)
   {
@@ -2132,17 +2103,13 @@ void Z4c_class::Step(int lev, int YN)
         sPp = sPp->next;
       }
     }
-    // Start async ghost zone exchange - overlaps with error check
+    // check error information
-    Parallel::SyncHandle *sync_cor = Parallel::SyncBeginWithPlan(sync_plan, SynchList_cor);
-
-    // check error information (overlaps with MPI transfer)
     {
       int erh = ERROR;
       MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
     }
     if (ERROR)
     {
-      Parallel::SyncEnd(sync_cor); sync_cor = 0;
       SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
@@ -2153,8 +2120,7 @@ void Z4c_class::Step(int lev, int YN)
       }
     }
 
-    // Complete async ghost zone exchange
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
-    if (sync_cor) Parallel::SyncEnd(sync_cor);
 
     if (lev == 0)
     {
@@ -2380,8 +2346,6 @@ void Z4c_class::Step(int lev, int YN)
 	  DG_List->clearList();
 	}
 #endif
-
-  Parallel::SyncFreePlan(sync_plan);
 }
 #endif
 #undef MRBD

AMSS_NCKU_source/bssn_class.C

@@ -3035,12 +3035,6 @@ void bssn_class::Step(int lev, int YN)
   int ERROR = 0;
 
   MyList<ss_patch> *sPp;
-
-  // Pre-build grid segment lists once for this level's patches.
-  // These are reused across predictor + 3 corrector SyncBegin calls,
-  // avoiding O(cpusize * blocks^2) rebuild each time.
-  Parallel::SyncPlan *sync_plan = Parallel::SyncPreparePlan(GH->PatL[lev], Symmetry);
-
   // Predictor
   MyList<Patch> *Pp = GH->PatL[lev];
   while (Pp)
@@ -3164,18 +3158,13 @@ void bssn_class::Step(int lev, int YN)
     }
     Pp = Pp->next;
   }
-
+  // check error information
-  // Start async ghost zone exchange - overlaps with error check and Shell computation
-  Parallel::SyncHandle *sync_pre = Parallel::SyncBeginWithPlan(sync_plan, SynchList_pre);
-
-  // check error information (overlaps with MPI transfer)
   {
     int erh = ERROR;
     MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
   }
   if (ERROR)
   {
-    Parallel::SyncEnd(sync_pre); sync_pre = 0;
     Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
     if (myrank == 0)
     {
@@ -3335,7 +3324,6 @@ void bssn_class::Step(int lev, int YN)
 
   if (ERROR)
   {
-    Parallel::SyncEnd(sync_pre); sync_pre = 0;
     SH->Dump_Data(StateList, 0, PhysTime, dT_lev);
     if (myrank == 0)
     {
@@ -3346,8 +3334,7 @@ void bssn_class::Step(int lev, int YN)
   }
 #endif
 
-  // Complete async ghost zone exchange
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
-  if (sync_pre) Parallel::SyncEnd(sync_pre);
 
 #ifdef WithShell
   if (lev == 0)
@@ -3541,10 +3528,7 @@ void bssn_class::Step(int lev, int YN)
       Pp = Pp->next;
     }
 
-    // Start async ghost zone exchange - overlaps with error check and Shell computation
+    // check error information
-    Parallel::SyncHandle *sync_cor = Parallel::SyncBeginWithPlan(sync_plan, SynchList_cor);
-
-    // check error information (overlaps with MPI transfer)
     {
       int erh = ERROR;
       MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
@@ -3552,7 +3536,6 @@ void bssn_class::Step(int lev, int YN)
 
     if (ERROR)
     {
-      Parallel::SyncEnd(sync_cor); sync_cor = 0;
       Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
@@ -3709,7 +3692,6 @@ void bssn_class::Step(int lev, int YN)
     }
     if (ERROR)
     {
-      Parallel::SyncEnd(sync_cor); sync_cor = 0;
       SH->Dump_Data(SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
@@ -3722,8 +3704,7 @@ void bssn_class::Step(int lev, int YN)
     }
 #endif
 
-    // Complete async ghost zone exchange
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
-    if (sync_cor) Parallel::SyncEnd(sync_cor);
 
 #ifdef WithShell
     if (lev == 0)
@@ -3914,8 +3895,6 @@ void bssn_class::Step(int lev, int YN)
       Porg0[ithBH][2] = Porg1[ithBH][2];
     }
   }
-
-  Parallel::SyncFreePlan(sync_plan);
 }
 
 //================================================================================================
@@ -4838,12 +4817,6 @@ void bssn_class::Step(int lev, int YN)
   int ERROR = 0;
 
   MyList<ss_patch> *sPp;
-
-  // Pre-build grid segment lists once for this level's patches.
-  // These are reused across predictor + 3 corrector SyncBegin calls,
-  // avoiding O(cpusize * blocks^2) rebuild each time.
-  Parallel::SyncPlan *sync_plan = Parallel::SyncPreparePlan(GH->PatL[lev], Symmetry);
-
   // Predictor
   MyList<Patch> *Pp = GH->PatL[lev];
   while (Pp)
@@ -4970,17 +4943,13 @@ void bssn_class::Step(int lev, int YN)
 
   //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Predictor rhs calculation");
 
-  // Start async ghost zone exchange - overlaps with error check and BH position
+  // check error information
-  Parallel::SyncHandle *sync_pre = Parallel::SyncBeginWithPlan(sync_plan, SynchList_pre);
-
-  // check error information (overlaps with MPI transfer)
   {
     int erh = ERROR;
     MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev]);
   }
   if (ERROR)
   {
-    Parallel::SyncEnd(sync_pre); sync_pre = 0;
     Parallel::Dump_Data(GH->PatL[lev], StateList, 0, PhysTime, dT_lev);
     if (myrank == 0)
     {
@@ -4992,8 +4961,7 @@ void bssn_class::Step(int lev, int YN)
 
   //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Predictor sync");
 
-  // Complete async ghost zone exchange
+  Parallel::Sync(GH->PatL[lev], SynchList_pre, Symmetry);
-  if (sync_pre) Parallel::SyncEnd(sync_pre);
 
 #if (MAPBH == 0)
   // for black hole position
@@ -5172,17 +5140,13 @@ void bssn_class::Step(int lev, int YN)
 
     //   misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector error check");
 
-    // Start async ghost zone exchange - overlaps with error check and BH position
+    // check error information
-    Parallel::SyncHandle *sync_cor = Parallel::SyncBeginWithPlan(sync_plan, SynchList_cor);
-
-    // check error information (overlaps with MPI transfer)
     {
       int erh = ERROR;
       MPI_Allreduce(&erh, &ERROR, 1, MPI_INT, MPI_SUM, GH->Commlev[lev]);
     }
     if (ERROR)
     {
-      Parallel::SyncEnd(sync_cor); sync_cor = 0;
       Parallel::Dump_Data(GH->PatL[lev], SynchList_pre, 0, PhysTime, dT_lev);
       if (myrank == 0)
       {
@@ -5196,8 +5160,7 @@ void bssn_class::Step(int lev, int YN)
 
     //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"before Corrector sync");
 
-    // Complete async ghost zone exchange
+    Parallel::Sync(GH->PatL[lev], SynchList_cor, Symmetry);
-    if (sync_cor) Parallel::SyncEnd(sync_cor);
 
     //    misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"after Corrector sync");
 
@@ -5313,8 +5276,6 @@ void bssn_class::Step(int lev, int YN)
 
   //     if(myrank==GH->start_rank[lev]) cout<<GH->mylev<<endl;
   //     misc::tillherecheck(GH->Commlev[lev],GH->start_rank[lev],"complet GH Step");
-
-  Parallel::SyncFreePlan(sync_plan);
 }
 
 //================================================================================================

AMSS_NCKU_source/bssn_rhs.f90

@@ -106,8 +106,7 @@
   call getpbh(BHN,Porg,Mass)
 #endif
 
-!!! sanity check (disabled in production builds for performance)
+!!! sanity check
-#ifdef DEBUG
   dX = sum(chi)+sum(trK)+sum(dxx)+sum(gxy)+sum(gxz)+sum(dyy)+sum(gyz)+sum(dzz) &
       +sum(Axx)+sum(Axy)+sum(Axz)+sum(Ayy)+sum(Ayz)+sum(Azz)                   &
       +sum(Gamx)+sum(Gamy)+sum(Gamz)                                           &
@@ -137,7 +136,6 @@
      gont = 1
      return
   endif
-#endif
 
   PI = dacos(-ONE)
 
@@ -945,60 +943,103 @@
   SSA(2)=SYM
   SSA(3)=ANTI
 
-!!!!!!!!!advection term + Kreiss-Oliger dissipation (merged for cache efficiency)
+!!!!!!!!!advection term part
-! lopsided_kodis shares the symmetry_bd buffer between advection and
-! dissipation, eliminating redundant full-grid copies. For metric variables
-! gxx/gyy/gzz (=dxx/dyy/dzz+1): kodis stencil coefficients sum to zero,
-! so the constant offset has no effect on dissipation.
 
-  call lopsided_kodis(ex,X,Y,Z,gxx,gxx_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,gxx,gxx_rhs,betax,betay,betaz,Symmetry,SSS)
-  call lopsided_kodis(ex,X,Y,Z,gxy,gxy_rhs,betax,betay,betaz,Symmetry,AAS,eps)
+  call lopsided(ex,X,Y,Z,gxy,gxy_rhs,betax,betay,betaz,Symmetry,AAS)
-  call lopsided_kodis(ex,X,Y,Z,gxz,gxz_rhs,betax,betay,betaz,Symmetry,ASA,eps)
+  call lopsided(ex,X,Y,Z,gxz,gxz_rhs,betax,betay,betaz,Symmetry,ASA)
-  call lopsided_kodis(ex,X,Y,Z,gyy,gyy_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,gyy,gyy_rhs,betax,betay,betaz,Symmetry,SSS)
-  call lopsided_kodis(ex,X,Y,Z,gyz,gyz_rhs,betax,betay,betaz,Symmetry,SAA,eps)
+  call lopsided(ex,X,Y,Z,gyz,gyz_rhs,betax,betay,betaz,Symmetry,SAA)
-  call lopsided_kodis(ex,X,Y,Z,gzz,gzz_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,gzz,gzz_rhs,betax,betay,betaz,Symmetry,SSS)
 
-  call lopsided_kodis(ex,X,Y,Z,Axx,Axx_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,Axx,Axx_rhs,betax,betay,betaz,Symmetry,SSS)
-  call lopsided_kodis(ex,X,Y,Z,Axy,Axy_rhs,betax,betay,betaz,Symmetry,AAS,eps)
+  call lopsided(ex,X,Y,Z,Axy,Axy_rhs,betax,betay,betaz,Symmetry,AAS)
-  call lopsided_kodis(ex,X,Y,Z,Axz,Axz_rhs,betax,betay,betaz,Symmetry,ASA,eps)
+  call lopsided(ex,X,Y,Z,Axz,Axz_rhs,betax,betay,betaz,Symmetry,ASA)
-  call lopsided_kodis(ex,X,Y,Z,Ayy,Ayy_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,Ayy,Ayy_rhs,betax,betay,betaz,Symmetry,SSS)
-  call lopsided_kodis(ex,X,Y,Z,Ayz,Ayz_rhs,betax,betay,betaz,Symmetry,SAA,eps)
+  call lopsided(ex,X,Y,Z,Ayz,Ayz_rhs,betax,betay,betaz,Symmetry,SAA)
-  call lopsided_kodis(ex,X,Y,Z,Azz,Azz_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,Azz,Azz_rhs,betax,betay,betaz,Symmetry,SSS)
 
-  call lopsided_kodis(ex,X,Y,Z,chi,chi_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,chi,chi_rhs,betax,betay,betaz,Symmetry,SSS)
-  call lopsided_kodis(ex,X,Y,Z,trK,trK_rhs,betax,betay,betaz,Symmetry,SSS,eps)
+  call lopsided(ex,X,Y,Z,trK,trK_rhs,betax,betay,betaz,Symmetry,SSS)
 
-  call lopsided_kodis(ex,X,Y,Z,Gamx,Gamx_rhs,betax,betay,betaz,Symmetry,ASS,eps)
+  call lopsided(ex,X,Y,Z,Gamx,Gamx_rhs,betax,betay,betaz,Symmetry,ASS)
-  call lopsided_kodis(ex,X,Y,Z,Gamy,Gamy_rhs,betax,betay,betaz,Symmetry,SAS,eps)
+  call lopsided(ex,X,Y,Z,Gamy,Gamy_rhs,betax,betay,betaz,Symmetry,SAS)
-  call lopsided_kodis(ex,X,Y,Z,Gamz,Gamz_rhs,betax,betay,betaz,Symmetry,SSA,eps)
+  call lopsided(ex,X,Y,Z,Gamz,Gamz_rhs,betax,betay,betaz,Symmetry,SSA)
-
+!!
-#if 1 
-!! bam does not apply dissipation on gauge variables
-  call lopsided_kodis(ex,X,Y,Z,Lap,Lap_rhs,betax,betay,betaz,Symmetry,SSS,eps)
-#if (GAUGE == 0 || GAUGE == 1 || GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5 || GAUGE == 6 || GAUGE == 7)
-  call lopsided_kodis(ex,X,Y,Z,betax,betax_rhs,betax,betay,betaz,Symmetry,ASS,eps)
-  call lopsided_kodis(ex,X,Y,Z,betay,betay_rhs,betax,betay,betaz,Symmetry,SAS,eps)
-  call lopsided_kodis(ex,X,Y,Z,betaz,betaz_rhs,betax,betay,betaz,Symmetry,SSA,eps)
-#endif
-#if (GAUGE == 0 || GAUGE == 2 || GAUGE == 3 || GAUGE == 6 || GAUGE == 7)
-  call lopsided_kodis(ex,X,Y,Z,dtSfx,dtSfx_rhs,betax,betay,betaz,Symmetry,ASS,eps)
-  call lopsided_kodis(ex,X,Y,Z,dtSfy,dtSfy_rhs,betax,betay,betaz,Symmetry,SAS,eps)
-  call lopsided_kodis(ex,X,Y,Z,dtSfz,dtSfz_rhs,betax,betay,betaz,Symmetry,SSA,eps)
-#endif
-#else
-! No dissipation on gauge variables (advection only)
   call lopsided(ex,X,Y,Z,Lap,Lap_rhs,betax,betay,betaz,Symmetry,SSS)
+
 #if (GAUGE == 0 || GAUGE == 1 || GAUGE == 2 || GAUGE == 3 || GAUGE == 4 || GAUGE == 5 || GAUGE == 6 || GAUGE == 7)
   call lopsided(ex,X,Y,Z,betax,betax_rhs,betax,betay,betaz,Symmetry,ASS)
   call lopsided(ex,X,Y,Z,betay,betay_rhs,betax,betay,betaz,Symmetry,SAS)
   call lopsided(ex,X,Y,Z,betaz,betaz_rhs,betax,betay,betaz,Symmetry,SSA)
 #endif
+
 #if (GAUGE == 0 || GAUGE == 2 || GAUGE == 3 || GAUGE == 6 || GAUGE == 7)
   call lopsided(ex,X,Y,Z,dtSfx,dtSfx_rhs,betax,betay,betaz,Symmetry,ASS)
   call lopsided(ex,X,Y,Z,dtSfy,dtSfy_rhs,betax,betay,betaz,Symmetry,SAS)
   call lopsided(ex,X,Y,Z,dtSfz,dtSfz_rhs,betax,betay,betaz,Symmetry,SSA)
 #endif
+
+  if(eps>0)then 
+! usual Kreiss-Oliger dissipation      
+  call kodis(ex,X,Y,Z,chi,chi_rhs,SSS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,trK,trK_rhs,SSS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,dxx,gxx_rhs,SSS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,gxy,gxy_rhs,AAS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,gxz,gxz_rhs,ASA,Symmetry,eps)
+  call kodis(ex,X,Y,Z,dyy,gyy_rhs,SSS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,gyz,gyz_rhs,SAA,Symmetry,eps)
+  call kodis(ex,X,Y,Z,dzz,gzz_rhs,SSS,Symmetry,eps)
+#if 0
+#define i 42
+#define j 40
+#define k 40
+if(Lev == 1)then
+write(*,*) X(i),Y(j),Z(k)
+write(*,*) "before",Axx_rhs(i,j,k)
+endif
+#undef i
+#undef j
+#undef k
+!!stop
 #endif
+  call kodis(ex,X,Y,Z,Axx,Axx_rhs,SSS,Symmetry,eps)
+#if 0
+#define i 42
+#define j 40
+#define k 40
+if(Lev == 1)then
+write(*,*) X(i),Y(j),Z(k)
+write(*,*) "after",Axx_rhs(i,j,k)
+endif
+#undef i
+#undef j
+#undef k
+!!stop
+#endif
+  call kodis(ex,X,Y,Z,Axy,Axy_rhs,AAS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,Axz,Axz_rhs,ASA,Symmetry,eps)
+  call kodis(ex,X,Y,Z,Ayy,Ayy_rhs,SSS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,Ayz,Ayz_rhs,SAA,Symmetry,eps)
+  call kodis(ex,X,Y,Z,Azz,Azz_rhs,SSS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,Gamx,Gamx_rhs,ASS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,Gamy,Gamy_rhs,SAS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,Gamz,Gamz_rhs,SSA,Symmetry,eps)
+
+#if 1 
+!! bam does not apply dissipation on gauge variables
+  call kodis(ex,X,Y,Z,Lap,Lap_rhs,SSS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,betax,betax_rhs,ASS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,betay,betay_rhs,SAS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,betaz,betaz_rhs,SSA,Symmetry,eps)
+#if (GAUGE == 0 || GAUGE == 2 || GAUGE == 3 || GAUGE == 6 || GAUGE == 7)
+  call kodis(ex,X,Y,Z,dtSfx,dtSfx_rhs,ASS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,dtSfy,dtSfy_rhs,SAS,Symmetry,eps)
+  call kodis(ex,X,Y,Z,dtSfz,dtSfz_rhs,SSA,Symmetry,eps)
+#endif
+#endif
+
+  endif
 
   if(co == 0)then
 ! ham_Res = trR + 2/3 * K^2 - A_ij * A^ij - 16 * PI * rho

AMSS_NCKU_source/enforce_algebra.f90

@@ -19,60 +19,48 @@
 
 !~~~~~~~> Local variable:
   
-  integer :: i,j,k
+  real*8, dimension(ex(1),ex(2),ex(3)) :: trA,detg
-  real*8 :: lgxx,lgyy,lgzz,ldetg
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz 
-  real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
-  real*8 :: ltrA,lscale
   real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
 
 !~~~~~~>
 
-  do k=1,ex(3)
+  gxx = dxx + ONE
-  do j=1,ex(2)
+  gyy = dyy + ONE
-  do i=1,ex(1)
+  gzz = dzz + ONE
 
-    lgxx = dxx(i,j,k) + ONE
+  detg =  gxx * gyy * gzz + gxy * gyz * gxz + gxz * gxy * gyz - &
-    lgyy = dyy(i,j,k) + ONE
+          gxz * gyy * gxz - gxy * gxy * gzz - gxx * gyz * gyz
-    lgzz = dzz(i,j,k) + ONE
+  gupxx =   ( gyy * gzz - gyz * gyz ) / detg
+  gupxy = - ( gxy * gzz - gyz * gxz ) / detg
+  gupxz =   ( gxy * gyz - gyy * gxz ) / detg
+  gupyy =   ( gxx * gzz - gxz * gxz ) / detg
+  gupyz = - ( gxx * gyz - gxy * gxz ) / detg
+  gupzz =   ( gxx * gyy - gxy * gxy ) / detg
 
-    ldetg =  lgxx * lgyy * lgzz &
+  trA =         gupxx * Axx + gupyy * Ayy + gupzz * Azz &
-           + gxy(i,j,k) * gyz(i,j,k) * gxz(i,j,k) &
+       + TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
-           + gxz(i,j,k) * gxy(i,j,k) * gyz(i,j,k) &
-           - gxz(i,j,k) * lgyy * gxz(i,j,k) &
-           - gxy(i,j,k) * gxy(i,j,k) * lgzz &
-           - lgxx * gyz(i,j,k) * gyz(i,j,k)
 
-    lgupxx =   ( lgyy * lgzz - gyz(i,j,k) * gyz(i,j,k) ) / ldetg
+  Axx = Axx - F1o3 * gxx * trA
-    lgupxy = - ( gxy(i,j,k) * lgzz - gyz(i,j,k) * gxz(i,j,k) ) / ldetg
+  Axy = Axy - F1o3 * gxy * trA
-    lgupxz =   ( gxy(i,j,k) * gyz(i,j,k) - lgyy * gxz(i,j,k) ) / ldetg
+  Axz = Axz - F1o3 * gxz * trA
-    lgupyy =   ( lgxx * lgzz - gxz(i,j,k) * gxz(i,j,k) ) / ldetg
+  Ayy = Ayy - F1o3 * gyy * trA
-    lgupyz = - ( lgxx * gyz(i,j,k) - gxy(i,j,k) * gxz(i,j,k) ) / ldetg
+  Ayz = Ayz - F1o3 * gyz * trA
-    lgupzz =   ( lgxx * lgyy - gxy(i,j,k) * gxy(i,j,k) ) / ldetg
+  Azz = Azz - F1o3 * gzz * trA
 
-    ltrA =         lgupxx * Axx(i,j,k) + lgupyy * Ayy(i,j,k) &
+  detg = ONE / ( detg ** F1o3 ) 
-                 + lgupzz * Azz(i,j,k) &
-         + TWO * (lgupxy * Axy(i,j,k) + lgupxz * Axz(i,j,k) &
-                 + lgupyz * Ayz(i,j,k))
   
-    Axx(i,j,k) = Axx(i,j,k) - F1o3 * lgxx * ltrA
+  gxx = gxx * detg
-    Axy(i,j,k) = Axy(i,j,k) - F1o3 * gxy(i,j,k) * ltrA
+  gxy = gxy * detg
-    Axz(i,j,k) = Axz(i,j,k) - F1o3 * gxz(i,j,k) * ltrA
+  gxz = gxz * detg
-    Ayy(i,j,k) = Ayy(i,j,k) - F1o3 * lgyy * ltrA
+  gyy = gyy * detg
-    Ayz(i,j,k) = Ayz(i,j,k) - F1o3 * gyz(i,j,k) * ltrA
+  gyz = gyz * detg
-    Azz(i,j,k) = Azz(i,j,k) - F1o3 * lgzz * ltrA
+  gzz = gzz * detg
 
-    lscale = ONE / ( ldetg ** F1o3 )
+  dxx = gxx - ONE
-
+  dyy = gyy - ONE
-    dxx(i,j,k) = lgxx * lscale - ONE
+  dzz = gzz - ONE
-    gxy(i,j,k) = gxy(i,j,k) * lscale
-    gxz(i,j,k) = gxz(i,j,k) * lscale
-    dyy(i,j,k) = lgyy * lscale - ONE
-    gyz(i,j,k) = gyz(i,j,k) * lscale
-    dzz(i,j,k) = lgzz * lscale - ONE
-
-  enddo
-  enddo
-  enddo
 
   return
 
@@ -95,70 +83,50 @@
 
 !~~~~~~~> Local variable:
   
-  integer :: i,j,k
+  real*8, dimension(ex(1),ex(2),ex(3)) :: trA
-  real*8 :: lgxx,lgyy,lgzz,lscale
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gxx,gyy,gzz 
-  real*8 :: lgxy,lgxz,lgyz
+  real*8, dimension(ex(1),ex(2),ex(3)) :: gupxx,gupxy,gupxz,gupyy,gupyz,gupzz
-  real*8 :: lgupxx,lgupxy,lgupxz,lgupyy,lgupyz,lgupzz
-  real*8 :: ltrA
   real*8, parameter :: F1o3 = 1.D0 / 3.D0, ONE = 1.D0, TWO = 2.D0
 
 !~~~~~~>
 
-  do k=1,ex(3)
+  gxx = dxx + ONE
-  do j=1,ex(2)
+  gyy = dyy + ONE
-  do i=1,ex(1)
+  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
+  gupzz = ONE / ( gupzz ** F1o3 ) 
-    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)
   
-    lscale =  lgxx * lgyy * lgzz + lgxy * lgyz * lgxz &
+  gxx = gxx * gupzz
-            + lgxz * lgxy * lgyz - lgxz * lgyy * lgxz &
+  gxy = gxy * gupzz
-            - lgxy * lgxy * lgzz - lgxx * lgyz * lgyz
+  gxz = gxz * gupzz
+  gyy = gyy * gupzz
+  gyz = gyz * gupzz
+  gzz = gzz * gupzz
 
-    lscale = ONE / ( lscale ** F1o3 )
+  dxx = gxx - ONE
+  dyy = gyy - ONE
+  dzz = gzz - ONE
+! for A  
 
-    lgxx = lgxx * lscale
+  gupxx =   ( gyy * gzz - gyz * gyz )
-    lgxy = lgxy * lscale
+  gupxy = - ( gxy * gzz - gyz * gxz )
-    lgxz = lgxz * lscale
+  gupxz =   ( gxy * gyz - gyy * gxz )
-    lgyy = lgyy * lscale
+  gupyy =   ( gxx * gzz - gxz * gxz )
-    lgyz = lgyz * lscale
+  gupyz = - ( gxx * gyz - gxy * gxz )
-    lgzz = lgzz * lscale
+  gupzz =   ( gxx * gyy - gxy * gxy )
 
-    dxx(i,j,k) = lgxx - ONE
+  trA =         gupxx * Axx + gupyy * Ayy + gupzz * Azz &
-    gxy(i,j,k) = lgxy
+       + TWO * (gupxy * Axy + gupxz * Axz + gupyz * Ayz)
-    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)
+  Axx = Axx - F1o3 * gxx * trA
-    lgupxx =   ( lgyy * lgzz - lgyz * lgyz )
+  Axy = Axy - F1o3 * gxy * trA
-    lgupxy = - ( lgxy * lgzz - lgyz * lgxz )
+  Axz = Axz - F1o3 * gxz * trA
-    lgupxz =   ( lgxy * lgyz - lgyy * lgxz )
+  Ayy = Ayy - F1o3 * gyy * trA
-    lgupyy =   ( lgxx * lgzz - lgxz * lgxz )
+  Ayz = Ayz - F1o3 * gyz * trA
-    lgupyz = - ( lgxx * lgyz - lgxy * lgxz )
+  Azz = Azz - F1o3 * gzz * trA
-    lgupzz =   ( lgxx * lgyy - lgxy * lgxy )
-
-    ltrA =         lgupxx * Axx(i,j,k) + lgupyy * Ayy(i,j,k) &
-                 + lgupzz * Azz(i,j,k) &
-         + TWO * (lgupxy * Axy(i,j,k) + lgupxz * Axz(i,j,k) &
-                 + lgupyz * Ayz(i,j,k))
-
-    Axx(i,j,k) = Axx(i,j,k) - F1o3 * lgxx * ltrA
-    Axy(i,j,k) = Axy(i,j,k) - F1o3 * lgxy * ltrA
-    Axz(i,j,k) = Axz(i,j,k) - F1o3 * lgxz * ltrA
-    Ayy(i,j,k) = Ayy(i,j,k) - F1o3 * lgyy * ltrA
-    Ayz(i,j,k) = Ayz(i,j,k) - F1o3 * lgyz * ltrA
-    Azz(i,j,k) = Azz(i,j,k) - F1o3 * lgzz * ltrA
-
-  enddo
-  enddo
-  enddo
 
   return
 

AMSS_NCKU_source/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)
@@ -1111,7 +1117,6 @@ end subroutine d2dump
 !------------------------------------------------------------------------------
 ! Lagrangian polynomial interpolation
 !------------------------------------------------------------------------------
-
  subroutine polint(xa, ya, x, y, dy, ordn)
   implicit none
 
@@ -1124,6 +1129,7 @@ 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
@@ -1131,6 +1137,7 @@ end subroutine d2dump
   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
@@ -1142,6 +1149,7 @@ 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
@@ -1149,18 +1157,22 @@ end subroutine d2dump
       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
@@ -1179,34 +1191,24 @@ end subroutine d2dump
 !------------------------------------------------------------------------------
 subroutine polin2(x1a,x2a,ya,x1,x2,y,dy,ordn)
     implicit none
-
     integer,intent(in) :: ordn
-  real*8, dimension(1:ordn), intent(in) :: x1a,x2a
+    real*8, dimension(ordn), intent(in) :: x1a,x2a
-  real*8, dimension(1:ordn,1:ordn), intent(in) :: ya
+    real*8, dimension(ordn,ordn), intent(in) :: ya
     real*8, intent(in) :: x1,x2
     real*8, intent(out) :: y,dy
 
-#ifdef POLINT_LEGACY_ORDER
-  integer  :: i,m
-  real*8, dimension(ordn) :: ymtmp
-  real*8, dimension(ordn) :: yntmp
-
-  m=size(x1a)
-  do i=1,m
-    yntmp=ya(i,:)
-    call polint(x2a,yntmp,x2,ymtmp(i),dy,ordn)
-  end do
-  call polint(x1a,ymtmp,x1,y,dy,ordn)
-#else
     integer  :: j
     real*8, dimension(ordn) :: ymtmp
-  real*8 :: dy_temp
+    real*8 :: dy_temp ! Local variable to prevent overwriting result
 
+    ! 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
+
+    ! Final interpolation on the results
     call polint(x2a, ymtmp, x2, y, dy, ordn)
-#endif
 
     return
   end subroutine polin2
@@ -1217,47 +1219,33 @@ end subroutine d2dump
 !------------------------------------------------------------------------------
 subroutine polin3(x1a,x2a,x3a,ya,x1,x2,x3,y,dy,ordn)
     implicit none
-
     integer,intent(in) :: ordn
-  real*8, dimension(1:ordn), intent(in) :: x1a,x2a,x3a
+    real*8, dimension(ordn), intent(in) :: x1a,x2a,x3a
-  real*8, dimension(1:ordn,1:ordn,1:ordn), intent(in) :: ya
+    real*8, dimension(ordn,ordn,ordn), intent(in) :: ya
     real*8, intent(in) :: x1,x2,x3
     real*8, intent(out) :: y,dy
 
-#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
 
+    ! 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
+
+    ! 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)
-#endif
 
     return
   end subroutine polin3
@@ -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
+  integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   dX = X(2) - X(1)
   dY = Y(2) - Y(1)
@@ -1305,12 +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
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
-n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(n_elements))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
-f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
 f_out = f_out*dX*dY*dZ
 
@@ -1335,9 +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
+  integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   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
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
-n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(n_elements))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
-f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
 f_out = f_out*dX*dY*dZ
 
@@ -1433,8 +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=0
-  f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1780,7 +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=0
-  f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1848,7 +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=0
-  f_int = DDOT(ORDN, coef, 1, ya, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*ya(m)
+  enddo
 
   return
 
@@ -2142,38 +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)
+  integer :: i
-  real*8, parameter, dimension(0:20) :: fact_table = [ &
-    1.d0, 1.d0, 2.d0, 6.d0, 24.d0, 120.d0, 720.d0, 5040.d0, 40320.d0, &
-    362880.d0, 3628800.d0, 39916800.d0, 479001600.d0, 6227020800.d0, &
-    87178291200.d0, 1307674368000.d0, 20922789888000.d0, &
-    355687428096000.d0, 6402373705728000.d0, 121645100408832000.d0, &
-    2432902008176640000.d0 ]
 
 ! sanity check
   if(N < 0)then
      write(*,*) "ffact: error input for factorial"
-     gont = 1.d0
      return
   endif
 
-  ! Use lookup table for small N (fast path)
+  gont = 1.d0
-  if(N <= 20)then
+  do i=1,N
-     gont = fact_table(N)
+     gont = gont*i
-  else
+  enddo
-     ! Use log-gamma function for large N: N! = exp(log_gamma(N+1))
-     ! This avoids overflow and is computed efficiently
-     gont = exp(log_gamma(dble(N+1)))
-  endif
 
   return
 
@@ -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
-
+/* Linear equation solution by Gauss-Jordan elimination.
-// Intel oneMKL LAPACK interface
-#include <mkl_lapacke.h>
-/* Linear equation solution using Intel oneMKL LAPACK.
 a[0..n-1][0..n-1] is the input matrix. b[0..n-1] is input
 containing the right-hand side vectors. On output a is
 replaced by its matrix inverse, and b is replaced by the
-corresponding set of solution vectors.
+corresponding set of solution vectors */
-
-Mathematical equivalence:
-  Solves: A * x = b  =>  x = A^(-1) * b
-  Original Gauss-Jordan and LAPACK dgesv/dgetri produce identical results
-  within numerical precision. */
 
 int gaussj(double *a, double *b, int n)
 {
-  // Allocate pivot array and workspace
+  double swap;
-  lapack_int *ipiv = new lapack_int[n];
-  lapack_int info;
 
-  // Make a copy of matrix a for solving (dgesv modifies it to LU form)
+  int *indxc, *indxr, *ipiv;
-  double *a_copy = new double[n * n];
+  indxc = new int[n];
-  for (int i = 0; i < n * n; i++) {
+  indxr = new int[n];
-    a_copy[i] = a[i];
+  ipiv = new int[n];
+
+  int i, icol, irow, j, k, l, ll;
+  double big, dum, pivinv, temp;
+
+  for (j = 0; j < n; j++)
+    ipiv[j] = 0;
+  for (i = 0; i < n; i++)
+  {
+    big = 0.0;
+    for (j = 0; j < n; j++)
+      if (ipiv[j] != 1)
+        for (k = 0; k < n; k++)
+        {
+          if (ipiv[k] == 0)
+          {
+            if (fabs(a[j * n + k]) >= big)
+            {
+              big = fabs(a[j * n + k]);
+              irow = j;
+              icol = k;
+            }
+          }
+          else if (ipiv[k] > 1)
+          {
+            cout << "gaussj: Singular Matrix-1" << endl;
+            for (int ii = 0; ii < n; ii++)
+            {
+              for (int jj = 0; jj < n; jj++)
+                cout << a[ii * n + jj] << " ";
+              cout << endl;
+            }
+            return 1; // error return
+          }
         }
 
-  // Step 1: Solve linear system A*x = b using LU decomposition
+    ipiv[icol] = ipiv[icol] + 1;
-  // LAPACKE_dgesv uses column-major by default, but we use row-major
+    if (irow != icol)
-  info = LAPACKE_dgesv(LAPACK_ROW_MAJOR, n, 1, a_copy, n, ipiv, b, 1);
+    {
-
+      for (l = 0; l < n; l++)
-  if (info != 0) {
+      {
-    cout << "gaussj: Singular Matrix (dgesv info=" << info << ")" << endl;
+        swap = a[irow * n + l];
-    delete[] ipiv;
+        a[irow * n + l] = a[icol * n + l];
-    delete[] a_copy;
+        a[icol * n + l] = swap;
-    return 1;
       }
 
-  // Step 2: Compute matrix inverse A^(-1) using LU factorization
+      swap = b[irow];
-  // First do LU factorization of original matrix a
+      b[irow] = b[icol];
-  info = LAPACKE_dgetrf(LAPACK_ROW_MAJOR, n, n, a, n, ipiv);
+      b[icol] = swap;
-
-  if (info != 0) {
-    cout << "gaussj: Singular Matrix (dgetrf info=" << info << ")" << endl;
-    delete[] ipiv;
-    delete[] a_copy;
-    return 1;
     }
 
-  // Then compute inverse from LU factorization
+    indxr[i] = irow;
-  info = LAPACKE_dgetri(LAPACK_ROW_MAJOR, n, a, n, ipiv);
+    indxc[i] = icol;
 
-  if (info != 0) {
+    if (a[icol * n + icol] == 0.0)
-    cout << "gaussj: Singular Matrix (dgetri info=" << info << ")" << endl;
+    {
-    delete[] ipiv;
+      cout << "gaussj: Singular Matrix-2" << endl;
-    delete[] a_copy;
+      for (int ii = 0; ii < n; ii++)
-    return 1;
+      {
+        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;
+      }
+  }
+
+  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
+      SUM = 0.0D0
-      DGVV = DDOT(N, V, 1, W, 1)
+            DO 10 I = 1,N
+            SUM = SUM + V(I)*W(I)
+10          CONTINUE
+      DGVV = SUM
       RETURN
       END

AMSS_NCKU_source/lopsidediff.f90

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

AMSS_NCKU_source/macrodef.h

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

AMSS_NCKU_source/makefile

@@ -16,12 +16,6 @@ include makefile.inc
 .cu.o:
 	$(Cu) $(CUDA_APP_FLAGS) -c $< -o $@ $(CUDA_LIB_PATH)
 
-TwoPunctures.o: TwoPunctures.C
-	${CXX} $(CXXAPPFLAGS) -qopenmp -c $< -o $@
-
-TwoPunctureABE.o: TwoPunctureABE.C
-	${CXX} $(CXXAPPFLAGS) -qopenmp -c $< -o $@
-
 # Input files
 C++FILES = ABE.o Ansorg.o Block.o misc.o monitor.o Parallel.o MPatch.o var.o\
            cgh.o bssn_class.o surface_integral.o ShellPatch.o\
@@ -102,7 +96,7 @@ 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

@@ -15,10 +15,11 @@ LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore
 ## -xHost: Optimize for the host CPU architecture (Intel/AMD compatible)
 ## -fp-model fast=2: Aggressive floating-point optimizations
 ## -fma: Enable fused multiply-add instructions
-CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma -ipo \
+## Note: OpenMP has been disabled (-qopenmp removed) due to performance issues
+CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma \
                -Dfortran3 -Dnewc -I${MKLROOT}/include
-f90appflags  = -O3 -xHost -fp-model fast=2 -fma -ipo \
+f90appflags  = -O3 -xHost -fp-model fast=2 -fma \
-               -align array64byte -fpp -I${MKLROOT}/include
+               -fpp -I${MKLROOT}/include
 f90          = ifx
 f77          = ifx
 CXX          = icpx
@@ -29,3 +30,4 @@ 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
+

makefile_and_run.py

@@ -10,17 +10,6 @@
 
 import AMSS_NCKU_Input as input_data
 import subprocess
-import time
-## CPU core binding configuration using taskset
-## taskset ensures all child processes inherit the CPU affinity mask
-## This forces make and all compiler processes to use only nohz_full cores (4-55, 60-111)
-## Format: taskset -c 4-55,60-111 ensures processes only run on these cores
-NUMACTL_CPU_BIND = "taskset -c 0-111"
-
-## Build parallelism configuration
-## 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 = 104
 
 
 ##################################################################
@@ -37,11 +26,11 @@ def makefile_ABE():
     print( " Compiling the AMSS-NCKU executable file ABE/ABEGPU " ) 
     print(                                                        )
 
-    ## Build command with CPU binding to nohz_full cores
+    ## Build command
     if (input_data.GPU_Calculation == "no"):
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABE"
+        makefile_command  = "make -j4" + " ABE"
     elif (input_data.GPU_Calculation == "yes"):
-        makefile_command  = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} ABEGPU"
+        makefile_command  = "make -j4" + " ABEGPU"
     else:
         print( " CPU/GPU numerical calculation setting is wrong " )
         print(                                                    )
@@ -78,8 +67,8 @@ def makefile_TwoPunctureABE():
     print( " Compiling the AMSS-NCKU executable file TwoPunctureABE " )
     print(                                                            )
     
-    ## Build command with CPU binding to nohz_full cores
+    ## Build command
-    makefile_command = f"{NUMACTL_CPU_BIND} make -j{BUILD_JOBS} TwoPunctureABE"
+    makefile_command = "make" + " TwoPunctureABE"
 
     ## Execute the command with subprocess.Popen and stream output
     makefile_process = subprocess.Popen(makefile_command, shell=True, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, text=True) 
@@ -116,10 +105,10 @@ def run_ABE():
     ## Define the command to run; cast other values to strings as needed
     
     if (input_data.GPU_Calculation == "no"):
-        mpi_command         = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
+        mpi_command         = "mpirun -np " + str(input_data.MPI_processes) + " ./ABE"
         mpi_command_outfile = "ABE_out.log"
     elif (input_data.GPU_Calculation == "yes"):
-        mpi_command         = NUMACTL_CPU_BIND + " mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
+        mpi_command         = "mpirun -np " + str(input_data.MPI_processes) + " ./ABEGPU"
         mpi_command_outfile = "ABEGPU_out.log"
  
     ## Execute the MPI command and stream output
@@ -152,13 +141,13 @@ def run_ABE():
 ## Run the AMSS-NCKU TwoPuncture program TwoPunctureABE
 
 def run_TwoPunctureABE():
-    tp_time1=time.time()
+
     print(                                                          )
     print( " Running the AMSS-NCKU executable file TwoPunctureABE " ) 
     print(                                                          )
     
     ## Define the command to run
-    TwoPuncture_command         = NUMACTL_CPU_BIND + " ./TwoPunctureABE"
+    TwoPuncture_command         = "./TwoPunctureABE"
     TwoPuncture_command_outfile = "TwoPunctureABE_out.log"
 
     ## Execute the command with subprocess.Popen and stream output
@@ -179,9 +168,7 @@ def run_TwoPunctureABE():
     print(                                               )
     print( " The TwoPunctureABE simulation is finished " ) 
     print(                                               )
-    tp_time2=time.time()
+    
-    et=tp_time2-tp_time1
-    print(f"Used time: {et}")
     return
 
 ##################################################################

parallel_plot_helper.py

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

plot_GW_strain_amplitude_xiaoqu.py

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

plot_binary_data.py

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

plot_xiaoqu.py

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