fix: try to fix segfault at 240 steps by adding WithShell guard for writecheck_sh call

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

.gitignore

@@ -1,7 +1,3 @@
 __pycache__
 GW150914
-GW150914-origin
-GW150914-mini
-docs
-*.tmp
 

AMSS_NCKU_Input.py

@@ -16,14 +16,12 @@ import numpy
 File_directory   = "GW150914"                    ## output file directory
 Output_directory = "binary_output"               ## binary data file directory
                                                  ## The file directory name should not be too long
-MPI_processes    = 8                             ## number of mpi processes used in the simulation
+MPI_processes    = 96                             ## number of mpi processes used in the simulation
-
-GPU_Calculation  = "no"                          ## Use GPU or not 
-                                                 ## (prefer "no" in the current version, because the GPU part may have bugs when integrated in this Python interface)
-CPU_Part         = 1.0
-GPU_Part         = 0.0
-Debug_NaN_Check          = 0                       ## enable NaN checks in compute_rhs_bssn: 0 (off) or 1 (on)
 
+GPU_Calculation  = "yes"                         ## Use GPU or not
+                                                 ## GPU support has been updated for CUDA 13
+CPU_Part         = 0.0
+GPU_Part         = 1.0
 
 #################################################
 

AMSS_NCKU_Input_Mini.py

@@ -1,233 +0,0 @@
-
-#################################################
-##
-## This file provides the input parameters required for numerical relativity.
-## XIAOQU
-## 2024/03/19 --- 2025/09/14
-## Modified for GW150914-mini test case
-##
-#################################################
-
-import numpy    
-
-#################################################
-
-## Setting MPI processes and the output file directory
-
-File_directory   = "GW150914-mini"               ## output file directory
-Output_directory = "binary_output"               ## binary data file directory
-                                                 ## The file directory name should not be too long
-MPI_processes    = 4                             ## number of mpi processes used in the simulation (Reduced for laptop)
-
-GPU_Calculation  = "no"                          ## Use GPU or not 
-                                                 ## (prefer "no" in the current version, because the GPU part may have bugs when integrated in this Python interface)
-CPU_Part         = 1.0
-GPU_Part         = 0.0
-
-#################################################
-
-
-#################################################
-
-## Setting the physical system and numerical method
-
-Symmetry                 = "equatorial-symmetry"   ## Symmetry of System: choose equatorial-symmetry、no-symmetry、octant-symmetry
-Equation_Class           = "BSSN"                  ## Evolution Equation: choose "BSSN", "BSSN-EScalar", "BSSN-EM", "Z4C" 
-                                                   ## If "BSSN-EScalar" is chosen, it is necessary to set other parameters below
-Initial_Data_Method      = "Ansorg-TwoPuncture"    ## initial data method: choose "Ansorg-TwoPuncture", "Lousto-Analytical", "Cao-Analytical", "KerrSchild-Analytical"
-Time_Evolution_Method    = "runge-kutta-45"        ## time evolution method: choose "runge-kutta-45"
-Finite_Diffenence_Method = "4th-order"             ## finite-difference method: choose "2nd-order", "4th-order", "6th-order", "8th-order"
-Debug_NaN_Check          = 0                       ## enable NaN checks in compute_rhs_bssn: 0 (off) or 1 (on)
-
-#################################################
-
-
-#################################################
-
-## Setting the time evolutionary information
-
-Start_Evolution_Time     = 0.0                    ## start evolution time t0
-Final_Evolution_Time     = 100.0                  ## final evolution time t1 (Reduced for quick test)
-Check_Time               = 10.0
-Dump_Time                = 10.0                   ## time inteval dT for dumping binary data
-D2_Dump_Time             = 10.0                   ## dump the ascii data for 2d surface after dT'
-Analysis_Time            = 1.0                    ## dump the puncture position and GW psi4 after dT"
-Evolution_Step_Number    = 10000000               ## stop the calculation after the maximal step number
-Courant_Factor           = 0.5                    ## Courant Factor
-Dissipation              = 0.15                   ## Kreiss-Oliger Dissipation Strength
-
-#################################################
-
-
-#################################################
-
-## Setting the grid structure
-
-basic_grid_set    = "Patch"                          ## grid structure: choose "Patch" or "Shell-Patch"
-grid_center_set   = "Cell"                           ## grid center: chose "Cell" or "Vertex"
-
-grid_level        = 7                                ## total number of AMR grid levels (Reduced from 9)
-static_grid_level = 4                                ## number of AMR static grid levels (Reduced from 5)
-moving_grid_level = grid_level - static_grid_level   ## number of AMR moving grid levels
-
-analysis_level    = 0
-refinement_level  = 3                                ## time refinement start from this grid level
-
-largest_box_xyz_max = [320.0, 320.0, 320.0]          ## scale of the largest box
-                                                     ## not ne cess ary to be cubic for "Patch" grid s tructure
-                                                     ## need to be a cubic box for "Shell-Patch" grid structure
-largest_box_xyz_min = - numpy.array(largest_box_xyz_max)  
-
-static_grid_number = 48                              ## grid points of each static AMR grid (in x direction) (Reduced from 96)
-                                                     ## (grid points in y and z directions are automatically adjusted)
-moving_grid_number = 24                              ## grid points of each moving AMR grid (Reduced from 48)
-shell_grid_number  = [32, 32, 100]                   ## grid points of Shell-Patch grid
-                                                     ## in (phi, theta, r) direction
-devide_factor      = 2.0                             ## resolution between different grid levels dh0/dh1, only support 2.0 now
-                                                     
-
-static_grid_type   = 'Linear'                        ## AMR static grid structure , only supports "Linear"
-moving_grid_type   = 'Linear'                        ## AMR moving grid structure , only supports "Linear"
-
-quarter_sphere_number = 48                           ## grid number of 1/4 s pher ical surface (Reduced from 96)
-                                                     ## (which is needed for evaluating the spherical surface integral)
-
-#################################################
-
-
-#################################################
-
-## Setting the puncture information
-
-puncture_number       = 2                                     
-
-position_BH           = numpy.zeros( (puncture_number, 3) )   
-parameter_BH          = numpy.zeros( (puncture_number, 3) )   
-dimensionless_spin_BH = numpy.zeros( (puncture_number, 3) )   
-momentum_BH           = numpy.zeros( (puncture_number, 3) )   
-
-puncture_data_set     = "Manually"                       ## Method to give Puncture’s positions and momentum
-                                                         ## choose "Manually" or "Automatically-BBH"
-                                                         ## Prefer to choose "Manually", because "Automatically-BBH" is developing now
-
-## initial orbital distance and ellipticity for BBHs system
-## ( needed for "Automatically-BBH" case , not affect the "Manually" case )
-Distance = 10.0
-e0       = 0.0
-
-## black hole parameter (M Q* a*)
-parameter_BH[0] = [ 36.0/(36.0+29.0),  0.0,  +0.31 ]   
-parameter_BH[1] = [ 29.0/(36.0+29.0),  0.0,  -0.46 ]  
-## dimensionless spin in each direction
-dimensionless_spin_BH[0] = [ 0.0,  0.0,  +0.31 ]   
-dimensionless_spin_BH[1] = [ 0.0,  0.0,  -0.46 ]  
-
-## use Brugmann's convention
-##  -----0-----> y
-##   -      +     
-
-#---------------------------------------------
-
-## If puncture_data_set is chosen to be "Manually", it is necessary to set the position and momentum of each puncture manually
-
-## initial position for each puncture
-position_BH[0]  = [  0.0,  10.0*29.0/(36.0+29.0), 0.0 ]  
-position_BH[1]  = [  0.0, -10.0*36.0/(36.0+29.0), 0.0 ] 
-
-## initial mumentum for each puncture
-## (needed for "Manually" case, does not affect the "Automatically-BBH" case)
-momentum_BH[0]  = [ -0.09530152296974252,  -0.00084541526517121,   0.0 ]
-momentum_BH[1]  = [ +0.09530152296974252,  +0.00084541526517121,   0.0 ]
-
-
-#################################################
-
-
-#################################################
-
-## Setting the gravitational wave information
-
-GW_L_max        = 4                      ## maximal L number in gravitational wave
-GW_M_max        = 4                      ## maximal M number in gravitational wave
-Detector_Number = 12                     ## number of dector
-Detector_Rmin   = 50.0                   ## nearest dector distance
-Detector_Rmax   = 160.0                  ## farest dector distance
-
-#################################################
-
-
-#################################################
-
-## Setting the apprent horizon
-
-AHF_Find       = "no"                    ## whether to find the apparent horizon: choose "yes" or "no"
-
-AHF_Find_Every = 24
-AHF_Dump_Time  = 20.0
-
-#################################################
-
-
-#################################################
-
-## Other parameters (testing)
-## Only influence the Equation_Class = "BSSN-EScalar" case
-
-FR_a2     = 3.0        ## f(R) = R + a2 * R^2    
-FR_l2     = 10000.0
-FR_phi0   = 0.00005
-FR_r0     = 120.0
-FR_sigma0 = 8.0
-FR_Choice = 2          ## Choice options: 1 2 3 4 5
-                       ## 1: phi(r) = phi0 * Exp(-(r-r0)**2/sigma0)   
-                       ##    V(r)   = 0
-                       ## 2: phi(r) =  phi0 * a2^2/(1+a2^2)  
-                       ##    V(r)   = Exp(-8*Sqrt(PI/3)*phi(r)) * (1-Exp(4*Sqrt(PI/3)*phi(r)))**2 / (32*PI*a2)
-                       ## 3: Schrodinger-Newton gived by system phi(r) 
-                       ##    V(r)   = Exp(-8*Sqrt(PI/3)*phi(r)) * (1-Exp(4*Sqrt(PI/3)*phi(r)))**2 / (32*PI*a2)
-                       ## 4: phi(r) = phi0 * 0.5 * ( tanh((r+r0)/sigma0) - tanh((r-r0)/sigma0) )  
-                       ##    V(r)   = 0
-                       ##    f(R)   = R + a2*R^2  with a2 = +oo
-                       ## 5: phi(r) = phi0 * Exp(-(r-r0)**2/sigma)   
-                       ##    V(r)   = 0
-
-#################################################
-
-
-#################################################
-
-## Other parameters (testing)
-## (please do not change if not necessary)
-
-boundary_choice = "BAM-choice"     ## Sommerfeld boundary condition : choose "BAM-choice" or "Shibata-choice" 
-                                   ## prefer "BAM-choice"
-
-gauge_choice  = 0                  ## gauge choice
-                                   ## 0: B^i gauge
-                                   ## 1: David's puncture gauge
-                                   ## 2: MB B^i gauge               
-                                   ## 3: RIT B^i gauge
-                                   ## 4: MB beta gauge 
-                                   ## 5: RIT beta gauge 
-                                   ## 6: MGB1 B^i gauge
-                                   ## 7: MGB2 B^i gauge
-                                   ## prefer 0 or 1
-                                   
-tetrad_type  = 2                   ## tetradtype 
-                                   ##  v:r; u: phi; w: theta
-                                   ##      v^a = (x,y,z)
-                                   ## 0: orthonormal order: v,u,w
-                                   ##    v^a = (x,y,z)   
-                                   ##    m = (phi - i theta)/sqrt(2) 
-                                   ##    following Frans, Eq.(8) of  PRD 75, 124018(2007)
-                                   ## 1: orthonormal order: w,u,v
-                                   ##    m = (theta + i phi)/sqrt(2) 
-                                   ##    following Sperhake, Eq.(3.2) of  PRD 85, 124062(2012)    
-                                   ## 2: orthonormal order: v,u,w
-                                   ##    v_a = (x,y,z)
-                                   ##    m = (phi - i theta)/sqrt(2) 
-                                   ##    following Frans, Eq.(8) of  PRD 75, 124018(2007)
-                                   ## this version recommend set to 2
-                                   ## prefer 2
-                                   
-#################################################

AMSS_NCKU_MiniProgram.py

@@ -1,224 +0,0 @@
-##################################################################
-##
-## AMSS-NCKU Numerical Relativity Mini Test Program
-## Author: Assistant (based on Xiaoqu's code)
-## 2026/01/20
-##
-## This script runs a scaled-down version of the GW150914 test case
-## suitable for laptop testing.
-##
-##################################################################
-
-import os
-import shutil
-import sys
-import time
-
-# --- Context Manager for Input File Swapping ---
-class InputFileSwapper:
-    def __init__(self, mini_file="AMSS_NCKU_Input_Mini.py", target_file="AMSS_NCKU_Input.py"):
-        self.mini_file = mini_file
-        self.target_file = target_file
-        self.backup_file = target_file + ".bak"
-        self.swapped = False
-
-    def __enter__(self):
-        print(f"[MiniProgram] Swapping {self.target_file} with {self.mini_file}...")
-        if os.path.exists(self.target_file):
-            shutil.move(self.target_file, self.backup_file)
-        shutil.copy(self.mini_file, self.target_file)
-        self.swapped = True
-        return self
-
-    def __exit__(self, exc_type, exc_value, traceback):
-        if self.swapped:
-            print(f"[MiniProgram] Restoring original {self.target_file}...")
-            os.remove(self.target_file)
-            if os.path.exists(self.backup_file):
-                shutil.move(self.backup_file, self.target_file)
-
-def main():
-    # Use the swapper to ensure all imported modules see the mini configuration
-    with InputFileSwapper():
-        
-        # Import modules AFTER swapping input file
-        try:
-            import AMSS_NCKU_Input as input_data
-            import print_information
-            import setup
-            import numerical_grid
-            import generate_macrodef
-            import makefile_and_run
-            import generate_TwoPuncture_input
-            import renew_puncture_parameter
-            import plot_xiaoqu
-            import plot_GW_strain_amplitude_xiaoqu
-        except ImportError as e:
-            print(f"Error importing modules: {e}")
-            return
-
-        print_information.print_program_introduction()
-        
-        print("\n" + "#"*60)
-        print(" RUNNING MINI TEST CASE: GW150914-mini")
-        print("#"*60 + "\n")
-
-        # --- Directory Setup ---
-        File_directory = os.path.join(input_data.File_directory)
-        
-        if os.path.exists(File_directory):
-            print(f" Output directory '{File_directory}' exists. Removing for mini test...")
-            shutil.rmtree(File_directory, ignore_errors=True)
-        
-        os.mkdir(File_directory)
-        shutil.copy("AMSS_NCKU_Input.py", File_directory) # Copies the current (mini) input
-
-        output_directory = os.path.join(File_directory, "AMSS_NCKU_output")
-        os.mkdir(output_directory)
-
-        binary_results_directory = os.path.join(output_directory, input_data.Output_directory)
-        os.mkdir(binary_results_directory)
-
-        figure_directory = os.path.join(File_directory, "figure")
-        os.mkdir(figure_directory)
-
-        print(" Output directories generated.\n")
-
-        # --- Setup and Input Generation ---
-        setup.print_input_data(File_directory)
-        setup.generate_AMSSNCKU_input()
-        setup.print_puncture_information()
-
-        print("\n Generating AMSS-NCKU input parfile...")
-        numerical_grid.append_AMSSNCKU_cgh_input()
-        
-        print("\n Plotting initial grid...")
-        numerical_grid.plot_initial_grid()
-
-        print("\n Generating macro files...")
-        generate_macrodef.generate_macrodef_h()
-        generate_macrodef.generate_macrodef_fh()
-        
-        # --- Compilation Preparation ---
-        print("\n Preparing to compile and run...")
-        
-        AMSS_NCKU_source_path = "AMSS_NCKU_source"
-        AMSS_NCKU_source_copy = os.path.join(File_directory, "AMSS_NCKU_source_copy")
-
-        if not os.path.exists(AMSS_NCKU_source_path):
-             print(" Error: AMSS_NCKU_source not found! Please run in the project root.")
-             return
-
-        shutil.copytree(AMSS_NCKU_source_path, AMSS_NCKU_source_copy)
-        
-        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)
-
-        # --- Compilation ---
-        cwd = os.getcwd()
-        os.chdir(AMSS_NCKU_source_copy)
-        
-        print(" Compiling ABE...")
-        makefile_and_run.makefile_ABE()
-        
-        if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ): 
-            print(" Compiling TwoPunctureABE...")
-            makefile_and_run.makefile_TwoPunctureABE()
-            
-        os.chdir(cwd)
-
-        # --- Copy Executables ---
-        if (input_data.GPU_Calculation == "no"):
-            ABE_file = os.path.join(AMSS_NCKU_source_copy, "ABE")
-        else:
-            ABE_file = os.path.join(AMSS_NCKU_source_copy, "ABEGPU")
-            
-        if not os.path.exists(ABE_file):
-            print(" Error: ABE executable compilation failed.")
-            return
-            
-        shutil.copy2(ABE_file, output_directory)
-
-        TwoPuncture_file = os.path.join(AMSS_NCKU_source_copy, "TwoPunctureABE")
-        if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ):
-            if not os.path.exists(TwoPuncture_file):
-                print(" Error: TwoPunctureABE compilation failed.")
-                return
-            shutil.copy2(TwoPuncture_file, output_directory)
-
-        # --- Execution ---
-        start_time = time.time()
-        
-        if (input_data.Initial_Data_Method == "Ansorg-TwoPuncture" ):
-             print("\n Generating TwoPuncture input...")
-             generate_TwoPuncture_input.generate_AMSSNCKU_TwoPuncture_input()
-             
-             AMSS_NCKU_TwoPuncture_inputfile = 'AMSS-NCKU-TwoPuncture.input'
-             AMSS_NCKU_TwoPuncture_inputfile_path = os.path.join( File_directory, AMSS_NCKU_TwoPuncture_inputfile )
-             shutil.copy2( AMSS_NCKU_TwoPuncture_inputfile_path, os.path.join(output_directory, 'TwoPunctureinput.par') )
-             
-             print(" Running TwoPunctureABE...")
-             os.chdir(output_directory)
-             makefile_and_run.run_TwoPunctureABE()
-             os.chdir(cwd)
-
-        # Update Puncture Parameter
-        renew_puncture_parameter.append_AMSSNCKU_BSSN_input(File_directory, output_directory)
-        
-        AMSS_NCKU_inputfile = 'AMSS-NCKU.input'
-        AMSS_NCKU_inputfile_path = os.path.join(File_directory, AMSS_NCKU_inputfile)
-        shutil.copy2( AMSS_NCKU_inputfile_path, os.path.join(output_directory, 'input.par') )
-        
-        print("\n Input files ready. Launching ABE...")
-        
-        os.chdir(output_directory)
-        makefile_and_run.run_ABE()
-        os.chdir(cwd)
-        
-        end_time = time.time()
-        elapsed_time = end_time - start_time
-        
-        # --- Post-processing ---
-        print("\n Copying output files for inspection...")
-        AMSS_NCKU_error_file_path = os.path.join(binary_results_directory, "setting.par")
-        if os.path.exists(AMSS_NCKU_error_file_path):
-            shutil.copy( AMSS_NCKU_error_file_path, os.path.join(output_directory, "AMSSNCKU_setting_parameter") )
-
-        AMSS_NCKU_error_file_path = os.path.join(binary_results_directory, "Error.log")
-        if os.path.exists(AMSS_NCKU_error_file_path):
-            shutil.copy( AMSS_NCKU_error_file_path, os.path.join(output_directory, "Error.log") )
-
-        for fname in ["bssn_BH.dat", "bssn_ADMQs.dat", "bssn_psi4.dat", "bssn_constraint.dat"]:
-            fpath = os.path.join(binary_results_directory, fname)
-            if os.path.exists(fpath):
-                shutil.copy(fpath, os.path.join(output_directory, fname))
-
-        # --- Plotting ---
-        print("\n Plotting results...")
-        try:
-            plot_xiaoqu.generate_puncture_orbit_plot(   binary_results_directory, figure_directory )
-            plot_xiaoqu.generate_puncture_orbit_plot3D( binary_results_directory, figure_directory )
-            plot_xiaoqu.generate_puncture_distence_plot( binary_results_directory, figure_directory )
-            
-            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 )
-
-            for i in range(input_data.Detector_Number):
-                plot_xiaoqu.generate_ADMmass_plot( binary_results_directory, figure_directory, i )
-
-            for i in range(input_data.grid_level):
-                plot_xiaoqu.generate_constraint_check_plot( binary_results_directory, figure_directory, i )
-                
-            plot_xiaoqu.generate_binary_data_plot( binary_results_directory, figure_directory )
-        except Exception as e:
-            print(f"Warning: Plotting failed: {e}")
-
-        print(f"\n Program Cost = {elapsed_time:.2f} Seconds \n")
-        print(" AMSS-NCKU-Python simulation finished (Mini Test).\n")
-
-if __name__ == "__main__":
-    main()

AMSS_NCKU_Verify_ASC26.py

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

AMSS_NCKU_source/FFT.f90

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

AMSS_NCKU_source/Parallel.C

@@ -313,7 +313,7 @@ MyList<Block> *Parallel::distribute(MyList<Patch> *PatchLIST, int cpusize, int i
 
   int split_size, min_size, block_size = 0;
 
-  int min_width = Mymax(2 * ghost_width + 2, buffer_width + 2);
+  int min_width = 2 * Mymax(ghost_width, buffer_width);
   int nxyz[dim], mmin_width[dim], min_shape[dim];
 
   MyList<Patch> *PLi = PatchLIST;
@@ -641,7 +641,7 @@ MyList<Block> *Parallel::distribute(MyList<Patch> *PatchLIST, int cpusize, int i
 
   int split_size, min_size, block_size = 0;
 
-  int min_width = Mymax(2 * ghost_width + 2, buffer_width + 2);
+  int min_width = 2 * Mymax(ghost_width, buffer_width);
   int nxyz[dim], mmin_width[dim], min_shape[dim];
 
   MyList<Patch> *PLi = PatchLIST;

AMSS_NCKU_source/TwoPunctures.C

@@ -27,7 +27,6 @@ using namespace std;
 #endif
 
 #include "TwoPunctures.h"
-#include <mkl_cblas.h>
 
 TwoPunctures::TwoPunctures(double mp, double mm, double b,
                            double P_plusx, double P_plusy, double P_plusz,
@@ -892,17 +891,25 @@ double TwoPunctures::norm1(double *v, int n)
 /* -------------------------------------------------------------------------*/
 double TwoPunctures::norm2(double *v, int n)
 {
-  // Optimized with oneMKL BLAS DNRM2
+  int i;
-  // Computes: sqrt(sum(v[i]^2))
+  double result = 0;
-  return cblas_dnrm2(n, v, 1);
+
+  for (i = 0; i < n; i++)
+    result += v[i] * v[i];
+
+  return sqrt(result);
 }
 
 /* -------------------------------------------------------------------------*/
 double TwoPunctures::scalarproduct(double *v, double *w, int n)
 {
-  // Optimized with oneMKL BLAS DDOT
+  int i;
-  // Computes: sum(v[i] * w[i])
+  double result = 0;
-  return cblas_ddot(n, v, 1, w, 1);
+
+  for (i = 0; i < n; i++)
+    result += v[i] * w[i];
+
+  return result;
 }
 
 /* -------------------------------------------------------------------------*/

AMSS_NCKU_source/bssn_gpu.cu

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

AMSS_NCKU_source/bssn_gpu.h

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

AMSS_NCKU_source/bssn_gpu_class.C

@@ -2134,7 +2134,9 @@ void bssn_class::Evolve(int Steps)
 
       CheckPoint->write_Black_Hole_position(BH_num_input, BH_num, Porg0, Porgbr, Mass);
       CheckPoint->writecheck_cgh(PhysTime, GH);
+#ifdef WithShell
       CheckPoint->writecheck_sh(PhysTime, SH);
+#endif
       CheckPoint->write_bssn(LastDump, Last2dDump, LastAnas);
     }
   }

AMSS_NCKU_source/bssn_gpu_rhs_ss.cu

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

AMSS_NCKU_source/bssn_rhs.f90

@@ -61,9 +61,7 @@
   real*8, dimension(ex(1),ex(2),ex(3)),intent(inout) :: ham_Res, movx_Res, movy_Res, movz_Res
   real*8, dimension(ex(1),ex(2),ex(3)),intent(inout) :: Gmx_Res, Gmy_Res, Gmz_Res
 !  gont = 0: success; gont = 1: something wrong
-  integer::gont,i,j,k
+  integer::gont
-  real*8 :: val1, val2
-  real*8 :: det, t_gupxx, t_gupxy, t_gupxz, t_gupyy, t_gupyz, t_gupzz
 
 !~~~~~~> Other variables:
 
@@ -86,10 +84,7 @@
   real*8, dimension(ex(1),ex(2),ex(3)) :: gupyy,gupyz,gupzz
 
   real*8,dimension(3) ::SSS,AAS,ASA,SAA,ASS,SAS,SSA
-  real*8            :: PI
+  real*8            :: dX, dY, dZ, PI
-#if (DEBUG_NAN_CHECK)
-  real*8            :: dX
-#endif
   real*8, parameter :: ZEO = 0.d0,ONE = 1.D0, TWO = 2.D0, FOUR = 4.D0
   real*8, parameter :: EIGHT = 8.D0, HALF = 0.5D0, THR = 3.d0
   real*8, parameter :: SYM = 1.D0, ANTI= - 1.D0
@@ -111,7 +106,6 @@
   call getpbh(BHN,Porg,Mass)
 #endif
 
-#if (DEBUG_NAN_CHECK)
 !!! sanity check
   dX = sum(chi)+sum(trK)+sum(dxx)+sum(gxy)+sum(gxz)+sum(dyy)+sum(gyz)+sum(dzz) &
       +sum(Axx)+sum(Axy)+sum(Axz)+sum(Ayy)+sum(Ayz)+sum(Azz)                   &
@@ -142,10 +136,13 @@
      gont = 1
      return
   endif
-#endif
 
   PI = dacos(-ONE)
 
+  dX = X(2) - X(1)
+  dY = Y(2) - Y(1)
+  dZ = Z(2) - Z(1)
+
   alpn1 = Lap + ONE
   chin1 = chi + ONE
   gxx = dxx + ONE
@@ -159,16 +156,16 @@
   div_beta = betaxx + betayy + betazz
  
   call fderivs(ex,chi,chix,chiy,chiz,X,Y,Z,SYM,SYM,SYM,symmetry,Lev)
-  call fderivs(ex,dxx,gxxx,gxxy,gxxz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,Lev)
-  call fderivs(ex,dyy,gyyx,gyyy,gyyz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,Lev)
-  call fderivs(ex,dzz,gzzx,gzzy,gzzz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,Lev)
-
-  call fderivs(ex,gxy,gxyx,gxyy,gxyz,X,Y,Z,ANTI,ANTI,SYM ,Symmetry,Lev)
-  call fderivs(ex,gxz,gxzx,gxzy,gxzz,X,Y,Z,ANTI,SYM ,ANTI,Symmetry,Lev)
-  call fderivs(ex,gyz,gyzx,gyzy,gyzz,X,Y,Z,SYM ,ANTI,ANTI,Symmetry,Lev)
 
   chi_rhs = F2o3 *chin1*( alpn1 * trK - div_beta ) !rhs for chi
 
+  call fderivs(ex,dxx,gxxx,gxxy,gxxz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,Lev)
+  call fderivs(ex,gxy,gxyx,gxyy,gxyz,X,Y,Z,ANTI,ANTI,SYM ,Symmetry,Lev)
+  call fderivs(ex,gxz,gxzx,gxzy,gxzz,X,Y,Z,ANTI,SYM ,ANTI,Symmetry,Lev)
+  call fderivs(ex,dyy,gyyx,gyyy,gyyz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,Lev)
+  call fderivs(ex,gyz,gyzx,gyzy,gyzz,X,Y,Z,SYM ,ANTI,ANTI,Symmetry,Lev)
+  call fderivs(ex,dzz,gzzx,gzzy,gzzz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,Lev)
+
   gxx_rhs = - TWO * alpn1 * Axx    -  F2o3 * gxx * div_beta          + &
               TWO *(  gxx * betaxx +   gxy * betayx +   gxz * betazx)
 
@@ -193,99 +190,71 @@
                                        gyz * betayx +   gzz * betazx   &
                                                     -   gxz * betayy     !rhs for gij
 
-! fused loop for metric inversion and connections
+! invert tilted metric
-  !DIR$ SIMD
+  gupzz =  gxx * gyy * gzz + gxy * gyz * gxz + gxz * gxy * gyz - &
-  do k=1,ex(3)
+           gxz * gyy * gxz - gxy * gxy * gzz - gxx * gyz * gyz
-  do j=1,ex(2)
+  gupxx =   ( gyy * gzz - gyz * gyz ) / gupzz
-  do i=1,ex(1)
+  gupxy = - ( gxy * gzz - gyz * gxz ) / gupzz
-     ! 1. Metric Inversion
+  gupxz =   ( gxy * gyz - gyy * gxz ) / gupzz
-     det = ONE / ( &
+  gupyy =   ( gxx * gzz - gxz * gxz ) / gupzz
-            gxx(i,j,k) * gyy(i,j,k) * gzz(i,j,k) + gxy(i,j,k) * gyz(i,j,k) * gxz(i,j,k) + &
+  gupyz = - ( gxx * gyz - gxy * gxz ) / gupzz
-            gxz(i,j,k) * gxy(i,j,k) * gyz(i,j,k) - gxz(i,j,k) * gyy(i,j,k) * gxz(i,j,k) - &
+  gupzz =   ( gxx * gyy - gxy * gxy ) / gupzz
-            gxy(i,j,k) * gxy(i,j,k) * gzz(i,j,k) - gxx(i,j,k) * gyz(i,j,k) * gyz(i,j,k) )
-     
-     t_gupxx =   ( gyy(i,j,k) * gzz(i,j,k) - gyz(i,j,k) * gyz(i,j,k) ) * det
-     t_gupxy = - ( gxy(i,j,k) * gzz(i,j,k) - gyz(i,j,k) * gxz(i,j,k) ) * det
-     t_gupxz =   ( gxy(i,j,k) * gyz(i,j,k) - gyy(i,j,k) * gxz(i,j,k) ) * det
-     t_gupyy =   ( gxx(i,j,k) * gzz(i,j,k) - gxz(i,j,k) * gxz(i,j,k) ) * det
-     t_gupyz = - ( gxx(i,j,k) * gyz(i,j,k) - gxy(i,j,k) * gxz(i,j,k) ) * det
-     t_gupzz =   ( gxx(i,j,k) * gyy(i,j,k) - gxy(i,j,k) * gxy(i,j,k) ) * det
-
-     gupxx(i,j,k) = t_gupxx
-     gupxy(i,j,k) = t_gupxy
-     gupxz(i,j,k) = t_gupxz
-     gupyy(i,j,k) = t_gupyy
-     gupyz(i,j,k) = t_gupyz
-     gupzz(i,j,k) = t_gupzz
 
   if(co == 0)then
-        Gmx_Res(i,j,k) = Gamx(i,j,k) - (t_gupxx*(t_gupxx*gxxx(i,j,k)+t_gupxy*gxyx(i,j,k)+t_gupxz*gxzx(i,j,k))&
+! Gam^i_Res = Gam^i + gup^ij_,j
-                         +t_gupxy*(t_gupxx*gxyx(i,j,k)+t_gupxy*gyyx(i,j,k)+t_gupxz*gyzx(i,j,k))&
+  Gmx_Res = Gamx - (gupxx*(gupxx*gxxx+gupxy*gxyx+gupxz*gxzx)&
-                         +t_gupxz*(t_gupxx*gxzx(i,j,k)+t_gupxy*gyzx(i,j,k)+t_gupxz*gzzx(i,j,k))&
+                   +gupxy*(gupxx*gxyx+gupxy*gyyx+gupxz*gyzx)&
-                         +t_gupxx*(t_gupxy*gxxy(i,j,k)+t_gupyy*gxyy(i,j,k)+t_gupyz*gxzy(i,j,k))&
+                   +gupxz*(gupxx*gxzx+gupxy*gyzx+gupxz*gzzx)&
-                         +t_gupxy*(t_gupxy*gxyy(i,j,k)+t_gupyy*gyyy(i,j,k)+t_gupyz*gyzy(i,j,k))&
+                   +gupxx*(gupxy*gxxy+gupyy*gxyy+gupyz*gxzy)&
-                         +t_gupxz*(t_gupxy*gxzy(i,j,k)+t_gupyy*gyzy(i,j,k)+t_gupyz*gzzy(i,j,k))&
+                   +gupxy*(gupxy*gxyy+gupyy*gyyy+gupyz*gyzy)&
-                         +t_gupxx*(t_gupxz*gxxz(i,j,k)+t_gupyz*gxyz(i,j,k)+t_gupzz*gxzz(i,j,k))&
+                   +gupxz*(gupxy*gxzy+gupyy*gyzy+gupyz*gzzy)&
-                         +t_gupxy*(t_gupxz*gxyz(i,j,k)+t_gupyz*gyyz(i,j,k)+t_gupzz*gyzz(i,j,k))&
+                   +gupxx*(gupxz*gxxz+gupyz*gxyz+gupzz*gxzz)&
-                         +t_gupxz*(t_gupxz*gxzz(i,j,k)+t_gupyz*gyzz(i,j,k)+t_gupzz*gzzz(i,j,k)))
+                   +gupxy*(gupxz*gxyz+gupyz*gyyz+gupzz*gyzz)&
-        Gmy_Res(i,j,k) = Gamy(i,j,k) - (t_gupxx*(t_gupxy*gxxx(i,j,k)+t_gupyy*gxyx(i,j,k)+t_gupyz*gxzx(i,j,k))&
+                   +gupxz*(gupxz*gxzz+gupyz*gyzz+gupzz*gzzz))
-                         +t_gupxy*(t_gupxy*gxyx(i,j,k)+t_gupyy*gyyx(i,j,k)+t_gupyz*gyzx(i,j,k))&
+  Gmy_Res = Gamy - (gupxx*(gupxy*gxxx+gupyy*gxyx+gupyz*gxzx)&
-                         +t_gupxz*(t_gupxy*gxzx(i,j,k)+t_gupyy*gyzx(i,j,k)+t_gupyz*gzzx(i,j,k))&
+                   +gupxy*(gupxy*gxyx+gupyy*gyyx+gupyz*gyzx)&
-                         +t_gupxy*(t_gupxy*gxxy(i,j,k)+t_gupyy*gxyy(i,j,k)+t_gupyz*gxzy(i,j,k))&
+                   +gupxz*(gupxy*gxzx+gupyy*gyzx+gupyz*gzzx)&
-                         +t_gupyy*(t_gupxy*gxyy(i,j,k)+t_gupyy*gyyy(i,j,k)+t_gupyz*gyzy(i,j,k))&
+                   +gupxy*(gupxy*gxxy+gupyy*gxyy+gupyz*gxzy)&
-                         +t_gupyz*(t_gupxy*gxzy(i,j,k)+t_gupyy*gyzy(i,j,k)+t_gupyz*gzzy(i,j,k))&
+                   +gupyy*(gupxy*gxyy+gupyy*gyyy+gupyz*gyzy)&
-                         +t_gupxy*(t_gupxz*gxxz(i,j,k)+t_gupyz*gxyz(i,j,k)+t_gupzz*gxzz(i,j,k))&
+                   +gupyz*(gupxy*gxzy+gupyy*gyzy+gupyz*gzzy)&
-                         +t_gupyy*(t_gupxz*gxyz(i,j,k)+t_gupyz*gyyz(i,j,k)+t_gupzz*gyzz(i,j,k))&
+                   +gupxy*(gupxz*gxxz+gupyz*gxyz+gupzz*gxzz)&
-                         +t_gupyz*(t_gupxz*gxzz(i,j,k)+t_gupyz*gyzz(i,j,k)+t_gupzz*gzzz(i,j,k)))
+                   +gupyy*(gupxz*gxyz+gupyz*gyyz+gupzz*gyzz)&
-        Gmz_Res(i,j,k) = Gamz(i,j,k) - (t_gupxx*(t_gupxz*gxxx(i,j,k)+t_gupyz*gxyx(i,j,k)+t_gupzz*gxzx(i,j,k))&
+                   +gupyz*(gupxz*gxzz+gupyz*gyzz+gupzz*gzzz))
-                         +t_gupxy*(t_gupxz*gxyx(i,j,k)+t_gupyz*gyyx(i,j,k)+t_gupzz*gyzx(i,j,k))&
+  Gmz_Res = Gamz - (gupxx*(gupxz*gxxx+gupyz*gxyx+gupzz*gxzx)&
-                         +t_gupxz*(t_gupxz*gxzx(i,j,k)+t_gupyz*gyzx(i,j,k)+t_gupzz*gzzx(i,j,k))&
+                   +gupxy*(gupxz*gxyx+gupyz*gyyx+gupzz*gyzx)&
-                         +t_gupxy*(t_gupxz*gxxy(i,j,k)+t_gupyz*gxyy(i,j,k)+t_gupzz*gxzy(i,j,k))&
+                   +gupxz*(gupxz*gxzx+gupyz*gyzx+gupzz*gzzx)&
-                         +t_gupyy*(t_gupxz*gxyy(i,j,k)+t_gupyz*gyyy(i,j,k)+t_gupzz*gyzy(i,j,k))&
+                   +gupxy*(gupxz*gxxy+gupyz*gxyy+gupzz*gxzy)&
-                         +t_gupyz*(t_gupxz*gxzy(i,j,k)+t_gupyz*gyzy(i,j,k)+t_gupzz*gzzy(i,j,k))&
+                   +gupyy*(gupxz*gxyy+gupyz*gyyy+gupzz*gyzy)&
-                         +t_gupxz*(t_gupxz*gxxz(i,j,k)+t_gupyz*gxyz(i,j,k)+t_gupzz*gxzz(i,j,k))&
+                   +gupyz*(gupxz*gxzy+gupyz*gyzy+gupzz*gzzy)&
-                         +t_gupyz*(t_gupxz*gxyz(i,j,k)+t_gupyz*gyyz(i,j,k)+t_gupzz*gyzz(i,j,k))&
+                   +gupxz*(gupxz*gxxz+gupyz*gxyz+gupzz*gxzz)&
-                         +t_gupzz*(t_gupxz*gxzz(i,j,k)+t_gupyz*gyzz(i,j,k)+t_gupzz*gzzz(i,j,k)))
+                   +gupyz*(gupxz*gxyz+gupyz*gyyz+gupzz*gyzz)&
+                   +gupzz*(gupxz*gxzz+gupyz*gyzz+gupzz*gzzz))
   endif
 
-     ! 2. Christoffel Symbols
+! second kind of connection
-     val1 = TWO * gxyx(i,j,k) - gxxy(i,j,k)
+  Gamxxx =HALF*( gupxx*gxxx + gupxy*(TWO*gxyx - gxxy ) + gupxz*(TWO*gxzx - gxxz ))
-     val2 = TWO * gxzx(i,j,k) - gxxz(i,j,k)
+  Gamyxx =HALF*( gupxy*gxxx + gupyy*(TWO*gxyx - gxxy ) + gupyz*(TWO*gxzx - gxxz ))
-     Gamxxx(i,j,k) =HALF*( t_gupxx*gxxx(i,j,k) + t_gupxy*val1 + t_gupxz*val2 )
+  Gamzxx =HALF*( gupxz*gxxx + gupyz*(TWO*gxyx - gxxy ) + gupzz*(TWO*gxzx - gxxz ))
-     Gamyxx(i,j,k) =HALF*( t_gupxy*gxxx(i,j,k) + t_gupyy*val1 + t_gupyz*val2 )
-     Gamzxx(i,j,k) =HALF*( t_gupxz*gxxx(i,j,k) + t_gupyz*val1 + t_gupzz*val2 )
  
-     val1 = TWO * gxyy(i,j,k) - gyyx(i,j,k)
+  Gamxyy =HALF*( gupxx*(TWO*gxyy - gyyx ) + gupxy*gyyy + gupxz*(TWO*gyzy - gyyz ))
-     val2 = TWO * gyzy(i,j,k) - gyyz(i,j,k)
+  Gamyyy =HALF*( gupxy*(TWO*gxyy - gyyx ) + gupyy*gyyy + gupyz*(TWO*gyzy - gyyz ))
-     Gamxyy(i,j,k) =HALF*( t_gupxx*val1 + t_gupxy*gyyy(i,j,k) + t_gupxz*val2 )
+  Gamzyy =HALF*( gupxz*(TWO*gxyy - gyyx ) + gupyz*gyyy + gupzz*(TWO*gyzy - gyyz ))
-     Gamyyy(i,j,k) =HALF*( t_gupxy*val1 + t_gupyy*gyyy(i,j,k) + t_gupyz*val2 )
-     Gamzyy(i,j,k) =HALF*( t_gupxz*val1 + t_gupyz*gyyy(i,j,k) + t_gupzz*val2 )
 
-     val1 = TWO * gxzz(i,j,k) - gzzx(i,j,k)
+  Gamxzz =HALF*( gupxx*(TWO*gxzz - gzzx ) + gupxy*(TWO*gyzz - gzzy ) + gupxz*gzzz)
-     val2 = TWO * gyzz(i,j,k) - gzzy(i,j,k)
+  Gamyzz =HALF*( gupxy*(TWO*gxzz - gzzx ) + gupyy*(TWO*gyzz - gzzy ) + gupyz*gzzz)
-     Gamxzz(i,j,k) =HALF*( t_gupxx*val1 + t_gupxy*val2 + t_gupxz*gzzz(i,j,k) )
+  Gamzzz =HALF*( gupxz*(TWO*gxzz - gzzx ) + gupyz*(TWO*gyzz - gzzy ) + gupzz*gzzz)
-     Gamyzz(i,j,k) =HALF*( t_gupxy*val1 + t_gupyy*val2 + t_gupyz*gzzz(i,j,k) )
-     Gamzzz(i,j,k) =HALF*( t_gupxz*val1 + t_gupyz*val2 + t_gupzz*gzzz(i,j,k) )
 
-     val1 = gxzy(i,j,k) + gyzx(i,j,k) - gxyz(i,j,k)
+  Gamxxy =HALF*( gupxx*gxxy + gupxy*gyyx + gupxz*( gxzy + gyzx - gxyz ) )
-     Gamxxy(i,j,k) =HALF*( t_gupxx*gxxy(i,j,k) + t_gupxy*gyyx(i,j,k) + t_gupxz*val1 )
+  Gamyxy =HALF*( gupxy*gxxy + gupyy*gyyx + gupyz*( gxzy + gyzx - gxyz ) )
-     Gamyxy(i,j,k) =HALF*( t_gupxy*gxxy(i,j,k) + t_gupyy*gyyx(i,j,k) + t_gupyz*val1 )
+  Gamzxy =HALF*( gupxz*gxxy + gupyz*gyyx + gupzz*( gxzy + gyzx - gxyz ) )
-     Gamzxy(i,j,k) =HALF*( t_gupxz*gxxy(i,j,k) + t_gupyz*gyyx(i,j,k) + t_gupzz*val1 )
-
-     val1 = gxyz(i,j,k) + gyzx(i,j,k) - gxzy(i,j,k)
-     Gamxxz(i,j,k) =HALF*( t_gupxx*gxxz(i,j,k) + t_gupxy*val1 + t_gupxz*gzzx(i,j,k) )
-     Gamyxz(i,j,k) =HALF*( t_gupxy*gxxz(i,j,k) + t_gupyy*val1 + t_gupyz*gzzx(i,j,k) )
-     Gamzxz(i,j,k) =HALF*( t_gupxz*gxxz(i,j,k) + t_gupyz*val1 + t_gupzz*gzzx(i,j,k) )
-
-     val1 = gxyz(i,j,k) + gxzy(i,j,k) - gyzx(i,j,k)
-     Gamxyz(i,j,k) =HALF*( t_gupxx*val1 + t_gupxy*gyyz(i,j,k) + t_gupxz*gzzy(i,j,k) )
-     Gamyyz(i,j,k) =HALF*( t_gupxy*val1 + t_gupyy*gyyz(i,j,k) + t_gupyz*gzzy(i,j,k) )
-     Gamzyz(i,j,k) =HALF*( t_gupxz*val1 + t_gupyz*gyyz(i,j,k) + t_gupzz*gzzy(i,j,k) )
-  enddo
-  enddo
-  enddo
 
+  Gamxxz =HALF*( gupxx*gxxz + gupxy*( gxyz + gyzx - gxzy ) + gupxz*gzzx )
+  Gamyxz =HALF*( gupxy*gxxz + gupyy*( gxyz + gyzx - gxzy ) + gupyz*gzzx )
+  Gamzxz =HALF*( gupxz*gxxz + gupyz*( gxyz + gyzx - gxzy ) + gupzz*gzzx )
 
+  Gamxyz =HALF*( gupxx*( gxyz + gxzy - gyzx ) + gupxy*gyyz + gupxz*gzzy )
+  Gamyyz =HALF*( gupxy*( gxyz + gxzy - gyzx ) + gupyy*gyyz + gupyz*gzzy )
+  Gamzyz =HALF*( gupxz*( gxyz + gxzy - gyzx ) + gupyz*gyyz + gupzz*gzzy )
 ! Raise indices of \tilde A_{ij} and store in R_ij
 
   Rxx =    gupxx * gupxx * Axx + gupxy * gupxy * Ayy + gupxz * gupxz * Azz + &
@@ -316,40 +285,30 @@
   call fderivs(ex,Lap,Lapx,Lapy,Lapz,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev)
   call fderivs(ex,trK,Kx,Ky,Kz,X,Y,Z,SYM,SYM,SYM,symmetry,Lev)
 
-  ! reuse fxx/fxy/fxz as temporaries for matter-source combinations
-  fxx = F2o3 * Kx + EIGHT * PI * Sx
-  fxy = F2o3 * Ky + EIGHT * PI * Sy
-  fxz = F2o3 * Kz + EIGHT * PI * Sz
-
-  ! reuse Gamxa/Gamya/Gamza as temporaries for chix*R combinations
-  Gamxa = chix * Rxx + chiy * Rxy + chiz * Rxz
-  Gamya = chix * Rxy + chiy * Ryy + chiz * Ryz
-  Gamza = chix * Rxz + chiy * Ryz + chiz * Rzz
-
    Gamx_rhs = - TWO * (   Lapx * Rxx +   Lapy * Rxy +   Lapz * Rxz ) + &
         TWO * alpn1 * (                                                &
-        -F3o2 * ONE/chin1 * Gamxa - &
+        -F3o2/chin1 * (   chix * Rxx +   chiy * Rxy +   chiz * Rxz ) - &
-              gupxx * fxx - &
+              gupxx * (   F2o3 * Kx  +  EIGHT * PI * Sx            ) - &
-              gupxy * fxy - &
+              gupxy * (   F2o3 * Ky  +  EIGHT * PI * Sy            ) - &
-              gupxz * fxz + &
+              gupxz * (   F2o3 * Kz  +  EIGHT * PI * Sz            ) + &
                         Gamxxx * Rxx + Gamxyy * Ryy + Gamxzz * Rzz   + &
                 TWO * ( Gamxxy * Rxy + Gamxxz * Rxz + Gamxyz * Ryz ) )
 
    Gamy_rhs = - TWO * (   Lapx * Rxy +   Lapy * Ryy +   Lapz * Ryz ) + &
         TWO * alpn1 * (                                                &
-        -F3o2 * ONE/chin1 * Gamya - &
+        -F3o2/chin1 * (   chix * Rxy +  chiy * Ryy +    chiz * Ryz ) - &
-              gupxy * fxx - &
+              gupxy * (   F2o3 * Kx  +  EIGHT * PI * Sx            ) - &
-              gupyy * fxy - &
+              gupyy * (   F2o3 * Ky  +  EIGHT * PI * Sy            ) - &
-              gupyz * fxz + &
+              gupyz * (   F2o3 * Kz  +  EIGHT * PI * Sz            ) + &
                         Gamyxx * Rxx + Gamyyy * Ryy + Gamyzz * Rzz   + &
                 TWO * ( Gamyxy * Rxy + Gamyxz * Rxz + Gamyyz * Ryz ) )
 
    Gamz_rhs = - TWO * (   Lapx * Rxz +   Lapy * Ryz +   Lapz * Rzz ) + &
         TWO * alpn1 * (                                                &
-        -F3o2 * ONE/chin1 * Gamza - &
+        -F3o2/chin1 * (   chix * Rxz +  chiy * Ryz +    chiz * Rzz ) - &
-              gupxz * fxx - &
+              gupxz * (   F2o3 * Kx  +  EIGHT * PI * Sx            ) - &
-              gupyz * fxy - &
+              gupyz * (   F2o3 * Ky  +  EIGHT * PI * Sy            ) - &
-              gupzz * fxz + &
+              gupzz * (   F2o3 * Kz  +  EIGHT * PI * Sz            ) + &
                         Gamzxx * Rxx + Gamzyy * Ryy + Gamzzz * Rzz   + &
                 TWO * ( Gamzxy * Rxy + Gamzxz * Rxz + Gamzyz * Ryz ) )
 
@@ -651,47 +610,47 @@
   fzz = fzz - Gamxzz * chix - Gamyzz * chiy - Gamzzz * chiz
 ! Store D^l D_l chi - 3/(2*chi) D^l chi D_l chi in f
 
-  f =        gupxx * ( fxx - F3o2 * ONE/chin1 * chix * chix ) + &
+  f =        gupxx * ( fxx - F3o2/chin1 * chix * chix ) + &
-             gupyy * ( fyy - F3o2 * ONE/chin1 * chiy * chiy ) + &
+             gupyy * ( fyy - F3o2/chin1 * chiy * chiy ) + &
-             gupzz * ( fzz - F3o2 * ONE/chin1 * chiz * chiz ) + &
+             gupzz * ( fzz - F3o2/chin1 * chiz * chiz ) + &
-       TWO * gupxy * ( fxy - F3o2 * ONE/chin1 * chix * chiy ) + &
+       TWO * gupxy * ( fxy - F3o2/chin1 * chix * chiy ) + &
-       TWO * gupxz * ( fxz - F3o2 * ONE/chin1 * chix * chiz ) + &
+       TWO * gupxz * ( fxz - F3o2/chin1 * chix * chiz ) + &
-       TWO * gupyz * ( fyz - F3o2 * ONE/chin1 * chiy * chiz ) 
+       TWO * gupyz * ( fyz - F3o2/chin1 * chiy * chiz ) 
 ! Add chi part to Ricci tensor:
 
-  Rxx = Rxx + (fxx - chix*chix*ONE/chin1*HALF + gxx * f) * ONE/chin1 * HALF
+  Rxx = Rxx + (fxx - chix*chix/chin1/TWO + gxx * f)/chin1/TWO
-  Ryy = Ryy + (fyy - chiy*chiy*ONE/chin1*HALF + gyy * f) * ONE/chin1 * HALF
+  Ryy = Ryy + (fyy - chiy*chiy/chin1/TWO + gyy * f)/chin1/TWO
-  Rzz = Rzz + (fzz - chiz*chiz*ONE/chin1*HALF + gzz * f) * ONE/chin1 * HALF
+  Rzz = Rzz + (fzz - chiz*chiz/chin1/TWO + gzz * f)/chin1/TWO
-  Rxy = Rxy + (fxy - chix*chiy*ONE/chin1*HALF + gxy * f) * ONE/chin1 * HALF
+  Rxy = Rxy + (fxy - chix*chiy/chin1/TWO + gxy * f)/chin1/TWO
-  Rxz = Rxz + (fxz - chix*chiz*ONE/chin1*HALF + gxz * f) * ONE/chin1 * HALF
+  Rxz = Rxz + (fxz - chix*chiz/chin1/TWO + gxz * f)/chin1/TWO
-  Ryz = Ryz + (fyz - chiy*chiz*ONE/chin1*HALF + gyz * f) * ONE/chin1 * HALF
+  Ryz = Ryz + (fyz - chiy*chiz/chin1/TWO + gyz * f)/chin1/TWO
 
 ! covariant second derivatives of the lapse respect to physical metric
   call fdderivs(ex,Lap,fxx,fxy,fxz,fyy,fyz,fzz,X,Y,Z, &
                 SYM,SYM,SYM,symmetry,Lev)
 
-  gxxx = (gupxx * chix + gupxy * chiy + gupxz * chiz) * ONE/chin1
+  gxxx = (gupxx * chix + gupxy * chiy + gupxz * chiz)/chin1
-  gxxy = (gupxy * chix + gupyy * chiy + gupyz * chiz) * ONE/chin1
+  gxxy = (gupxy * chix + gupyy * chiy + gupyz * chiz)/chin1
-  gxxz = (gupxz * chix + gupyz * chiy + gupzz * chiz) * ONE/chin1
+  gxxz = (gupxz * chix + gupyz * chiy + gupzz * chiz)/chin1
 ! now get physical second kind of connection
-  Gamxxx = Gamxxx - ( TWO * chix * ONE/chin1 - gxx * gxxx )*HALF
+  Gamxxx = Gamxxx - ( (chix + chix)/chin1 - gxx * gxxx )*HALF
   Gamyxx = Gamyxx - (                     - gxx * gxxy )*HALF
   Gamzxx = Gamzxx - (                     - gxx * gxxz )*HALF
   Gamxyy = Gamxyy - (                     - gyy * gxxx )*HALF
-  Gamyyy = Gamyyy - ( TWO * chiy * ONE/chin1 - gyy * gxxy )*HALF
+  Gamyyy = Gamyyy - ( (chiy + chiy)/chin1 - gyy * gxxy )*HALF
   Gamzyy = Gamzyy - (                     - gyy * gxxz )*HALF
   Gamxzz = Gamxzz - (                     - gzz * gxxx )*HALF
   Gamyzz = Gamyzz - (                     - gzz * gxxy )*HALF
-  Gamzzz = Gamzzz - ( TWO * chiz * ONE/chin1 - gzz * gxxz )*HALF
+  Gamzzz = Gamzzz - ( (chiz + chiz)/chin1 - gzz * gxxz )*HALF
-  Gamxxy = Gamxxy - (  chiy * ONE/chin1 - gxy * gxxx )*HALF
+  Gamxxy = Gamxxy - (  chiy        /chin1 - gxy * gxxx )*HALF
-  Gamyxy = Gamyxy - (  chix * ONE/chin1 - gxy * gxxy )*HALF
+  Gamyxy = Gamyxy - (         chix /chin1 - gxy * gxxy )*HALF
   Gamzxy = Gamzxy - (                     - gxy * gxxz )*HALF
-  Gamxxz = Gamxxz - (  chiz * ONE/chin1 - gxz * gxxx )*HALF
+  Gamxxz = Gamxxz - (  chiz        /chin1 - gxz * gxxx )*HALF
   Gamyxz = Gamyxz - (                     - gxz * gxxy )*HALF
-  Gamzxz = Gamzxz - (  chix * ONE/chin1 - gxz * gxxz )*HALF
+  Gamzxz = Gamzxz - (         chix /chin1 - gxz * gxxz )*HALF
   Gamxyz = Gamxyz - (                     - gyz * gxxx )*HALF
-  Gamyyz = Gamyyz - (  chiz * ONE/chin1 - gyz * gxxy )*HALF
+  Gamyyz = Gamyyz - (  chiz        /chin1 - gyz * gxxy )*HALF
-  Gamzyz = Gamzyz - (  chiy * ONE/chin1 - gyz * gxxz )*HALF
+  Gamzyz = Gamzyz - (         chiy /chin1 - gyz * gxxz )*HALF
 
   fxx = fxx - Gamxxx*Lapx - Gamyxx*Lapy - Gamzxx*Lapz
   fyy = fyy - Gamxyy*Lapx - Gamyyy*Lapy - Gamzyy*Lapz
@@ -734,7 +693,7 @@
        gupxz * (Axy * Azz + Ayz * Axz) + &
        gupyz * (Ayy * Azz + Ayz * Ayz) ) )) -1.6d1*PI*rho + EIGHT * PI * S
   f = - F1o3 *(  gupxx * fxx + gupyy * fyy + gupzz * fzz + &
-        TWO* ( gupxy * fxy + gupxz * fxz + gupyz * fyz ) + alpn1 * ONE/chin1 * f)
+        TWO* ( gupxy * fxy + gupxz * fxz + gupyz * fyz ) + alpn1/chin1*f)
   
   fxx = alpn1 * (Rxx - EIGHT * PI * Sxx) - fxx
   fxy = alpn1 * (Rxy - EIGHT * PI * Sxy) - fxy
@@ -854,8 +813,7 @@
   call fderivs(ex,chi,dtSfx_rhs,dtSfy_rhs,dtSfz_rhs,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev)
   reta = gupxx * dtSfx_rhs * dtSfx_rhs + gupyy * dtSfy_rhs * dtSfy_rhs + gupzz * dtSfz_rhs * dtSfz_rhs + &
        TWO * (gupxy * dtSfx_rhs * dtSfy_rhs + gupxz * dtSfx_rhs * dtSfz_rhs + gupyz * dtSfy_rhs * dtSfz_rhs)
-  fxx = dsqrt(chin1)
+  reta = 1.31d0/2*dsqrt(reta/chin1)/(1-dsqrt(chin1))**2
-  reta = 1.31d0/2*dsqrt(reta*ONE/chin1)/(ONE-fxx)**2
   dtSfx_rhs = Gamx_rhs - reta*dtSfx
   dtSfy_rhs = Gamy_rhs - reta*dtSfy
   dtSfz_rhs = Gamz_rhs - reta*dtSfz
@@ -867,7 +825,7 @@
   call fderivs(ex,chi,dtSfx_rhs,dtSfy_rhs,dtSfz_rhs,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev)
   reta = gupxx * dtSfx_rhs * dtSfx_rhs + gupyy * dtSfy_rhs * dtSfy_rhs + gupzz * dtSfz_rhs * dtSfz_rhs + &
        TWO * (gupxy * dtSfx_rhs * dtSfy_rhs + gupxz * dtSfx_rhs * dtSfz_rhs + gupyz * dtSfy_rhs * dtSfz_rhs)
-  reta = 1.31d0/2*dsqrt(reta*ONE/chin1)/(ONE-chin1)**2
+  reta = 1.31d0/2*dsqrt(reta/chin1)/(1-chin1)**2
   dtSfx_rhs = Gamx_rhs - reta*dtSfx
   dtSfy_rhs = Gamy_rhs - reta*dtSfy
   dtSfz_rhs = Gamz_rhs - reta*dtSfz
@@ -875,8 +833,7 @@
   call fderivs(ex,chi,dtSfx_rhs,dtSfy_rhs,dtSfz_rhs,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev)
   reta = gupxx * dtSfx_rhs * dtSfx_rhs + gupyy * dtSfy_rhs * dtSfy_rhs + gupzz * dtSfz_rhs * dtSfz_rhs + &
        TWO * (gupxy * dtSfx_rhs * dtSfy_rhs + gupxz * dtSfx_rhs * dtSfz_rhs + gupyz * dtSfy_rhs * dtSfz_rhs)
-  fxx = dsqrt(chin1)
+  reta = 1.31d0/2*dsqrt(reta/chin1)/(1-dsqrt(chin1))**2
-  reta = 1.31d0/2*dsqrt(reta*ONE/chin1)/(ONE-fxx)**2
   betax_rhs = FF*Gamx - reta*betax
   betay_rhs = FF*Gamy - reta*betay
   betaz_rhs = FF*Gamz - reta*betaz
@@ -888,7 +845,7 @@
   call fderivs(ex,chi,dtSfx_rhs,dtSfy_rhs,dtSfz_rhs,X,Y,Z,SYM,SYM,SYM,Symmetry,Lev)
   reta = gupxx * dtSfx_rhs * dtSfx_rhs + gupyy * dtSfy_rhs * dtSfy_rhs + gupzz * dtSfz_rhs * dtSfz_rhs + &
        TWO * (gupxy * dtSfx_rhs * dtSfy_rhs + gupxz * dtSfx_rhs * dtSfz_rhs + gupyz * dtSfy_rhs * dtSfz_rhs)
-  reta = 1.31d0/2*dsqrt(reta*ONE/chin1)/(ONE-chin1)**2
+  reta = 1.31d0/2*dsqrt(reta/chin1)/(1-chin1)**2
   betax_rhs = FF*Gamx - reta*betax
   betay_rhs = FF*Gamy - reta*betay
   betaz_rhs = FF*Gamz - reta*betaz
@@ -1120,48 +1077,48 @@ endif
 ! mov_Res_j = gupkj*(-1/chi d_k chi*A_ij + D_k A_ij) - 2/3 d_j trK - 8 PI s_j where D respect to physical metric
 ! store D_i A_jk - 1/chi d_i chi*A_jk in gjk_i
   call fderivs(ex,Axx,gxxx,gxxy,gxxz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,0)
-  call fderivs(ex,Ayy,gyyx,gyyy,gyyz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,0)
-  call fderivs(ex,Azz,gzzx,gzzy,gzzz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,0)
   call fderivs(ex,Axy,gxyx,gxyy,gxyz,X,Y,Z,ANTI,ANTI,SYM ,Symmetry,0)
   call fderivs(ex,Axz,gxzx,gxzy,gxzz,X,Y,Z,ANTI,SYM ,ANTI,Symmetry,0)
+  call fderivs(ex,Ayy,gyyx,gyyy,gyyz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,0)
   call fderivs(ex,Ayz,gyzx,gyzy,gyzz,X,Y,Z,SYM ,ANTI,ANTI,Symmetry,0)
+  call fderivs(ex,Azz,gzzx,gzzy,gzzz,X,Y,Z,SYM ,SYM ,SYM ,Symmetry,0)
 
   gxxx = gxxx - (  Gamxxx * Axx + Gamyxx * Axy + Gamzxx * Axz &
-                 + Gamxxx * Axx + Gamyxx * Axy + Gamzxx * Axz) - chix*Axx*ONE/chin1
+                 + Gamxxx * Axx + Gamyxx * Axy + Gamzxx * Axz) - chix*Axx/chin1
   gxyx = gxyx - (  Gamxxy * Axx + Gamyxy * Axy + Gamzxy * Axz &
-                 + Gamxxx * Axy + Gamyxx * Ayy + Gamzxx * Ayz) - chix*Axy*ONE/chin1
+                 + Gamxxx * Axy + Gamyxx * Ayy + Gamzxx * Ayz) - chix*Axy/chin1
   gxzx = gxzx - (  Gamxxz * Axx + Gamyxz * Axy + Gamzxz * Axz &
-                 + Gamxxx * Axz + Gamyxx * Ayz + Gamzxx * Azz) - chix*Axz*ONE/chin1
+                 + Gamxxx * Axz + Gamyxx * Ayz + Gamzxx * Azz) - chix*Axz/chin1
   gyyx = gyyx - (  Gamxxy * Axy + Gamyxy * Ayy + Gamzxy * Ayz &
-                 + Gamxxy * Axy + Gamyxy * Ayy + Gamzxy * Ayz) - chix*Ayy*ONE/chin1
+                 + Gamxxy * Axy + Gamyxy * Ayy + Gamzxy * Ayz) - chix*Ayy/chin1
   gyzx = gyzx - (  Gamxxz * Axy + Gamyxz * Ayy + Gamzxz * Ayz &
-                 + Gamxxy * Axz + Gamyxy * Ayz + Gamzxy * Azz) - chix*Ayz*ONE/chin1
+                 + Gamxxy * Axz + Gamyxy * Ayz + Gamzxy * Azz) - chix*Ayz/chin1
   gzzx = gzzx - (  Gamxxz * Axz + Gamyxz * Ayz + Gamzxz * Azz &
-                 + Gamxxz * Axz + Gamyxz * Ayz + Gamzxz * Azz) - chix*Azz*ONE/chin1
+                 + Gamxxz * Axz + Gamyxz * Ayz + Gamzxz * Azz) - chix*Azz/chin1
   gxxy = gxxy - (  Gamxxy * Axx + Gamyxy * Axy + Gamzxy * Axz &
-                 + Gamxxy * Axx + Gamyxy * Axy + Gamzxy * Axz) - chiy*Axx*ONE/chin1
+                 + Gamxxy * Axx + Gamyxy * Axy + Gamzxy * Axz) - chiy*Axx/chin1
   gxyy = gxyy - (  Gamxyy * Axx + Gamyyy * Axy + Gamzyy * Axz &
-                 + Gamxxy * Axy + Gamyxy * Ayy + Gamzxy * Ayz) - chiy*Axy*ONE/chin1
+                 + Gamxxy * Axy + Gamyxy * Ayy + Gamzxy * Ayz) - chiy*Axy/chin1
   gxzy = gxzy - (  Gamxyz * Axx + Gamyyz * Axy + Gamzyz * Axz &
-                 + Gamxxy * Axz + Gamyxy * Ayz + Gamzxy * Azz) - chiy*Axz*ONE/chin1
+                 + Gamxxy * Axz + Gamyxy * Ayz + Gamzxy * Azz) - chiy*Axz/chin1
   gyyy = gyyy - (  Gamxyy * Axy + Gamyyy * Ayy + Gamzyy * Ayz &
-                 + Gamxyy * Axy + Gamyyy * Ayy + Gamzyy * Ayz) - chiy*Ayy*ONE/chin1
+                 + Gamxyy * Axy + Gamyyy * Ayy + Gamzyy * Ayz) - chiy*Ayy/chin1
   gyzy = gyzy - (  Gamxyz * Axy + Gamyyz * Ayy + Gamzyz * Ayz &
-                 + Gamxyy * Axz + Gamyyy * Ayz + Gamzyy * Azz) - chiy*Ayz*ONE/chin1
+                 + Gamxyy * Axz + Gamyyy * Ayz + Gamzyy * Azz) - chiy*Ayz/chin1
   gzzy = gzzy - (  Gamxyz * Axz + Gamyyz * Ayz + Gamzyz * Azz &
-                 + Gamxyz * Axz + Gamyyz * Ayz + Gamzyz * Azz) - chiy*Azz*ONE/chin1
+                 + Gamxyz * Axz + Gamyyz * Ayz + Gamzyz * Azz) - chiy*Azz/chin1
   gxxz = gxxz - (  Gamxxz * Axx + Gamyxz * Axy + Gamzxz * Axz &
-                 + Gamxxz * Axx + Gamyxz * Axy + Gamzxz * Axz) - chiz*Axx*ONE/chin1
+                 + Gamxxz * Axx + Gamyxz * Axy + Gamzxz * Axz) - chiz*Axx/chin1
   gxyz = gxyz - (  Gamxyz * Axx + Gamyyz * Axy + Gamzyz * Axz &
-                 + Gamxxz * Axy + Gamyxz * Ayy + Gamzxz * Ayz) - chiz*Axy*ONE/chin1
+                 + Gamxxz * Axy + Gamyxz * Ayy + Gamzxz * Ayz) - chiz*Axy/chin1
   gxzz = gxzz - (  Gamxzz * Axx + Gamyzz * Axy + Gamzzz * Axz &
-                 + Gamxxz * Axz + Gamyxz * Ayz + Gamzxz * Azz) - chiz*Axz*ONE/chin1
+                 + Gamxxz * Axz + Gamyxz * Ayz + Gamzxz * Azz) - chiz*Axz/chin1
   gyyz = gyyz - (  Gamxyz * Axy + Gamyyz * Ayy + Gamzyz * Ayz &
-                 + Gamxyz * Axy + Gamyyz * Ayy + Gamzyz * Ayz) - chiz*Ayy*ONE/chin1
+                 + Gamxyz * Axy + Gamyyz * Ayy + Gamzyz * Ayz) - chiz*Ayy/chin1
   gyzz = gyzz - (  Gamxzz * Axy + Gamyzz * Ayy + Gamzzz * Ayz &
-                 + Gamxyz * Axz + Gamyyz * Ayz + Gamzyz * Azz) - chiz*Ayz*ONE/chin1
+                 + Gamxyz * Axz + Gamyyz * Ayz + Gamzyz * Azz) - chiz*Ayz/chin1
   gzzz = gzzz - (  Gamxzz * Axz + Gamyzz * Ayz + Gamzzz * Azz &
-                 + Gamxzz * Axz + Gamyzz * Ayz + Gamzzz * Azz) - chiz*Azz*ONE/chin1
+                 + Gamxzz * Axz + Gamyzz * Ayz + Gamzzz * Azz) - chiz*Azz/chin1
 movx_Res = gupxx*gxxx + gupyy*gxyy + gupzz*gxzz &
           +gupxy*gxyx + gupxz*gxzx + gupyz*gxzy &
           +gupxy*gxxy + gupxz*gxxz + gupyz*gxyz

AMSS_NCKU_source/bssn_step_gpu.C

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

AMSS_NCKU_source/diff_new.f90

@@ -1939,309 +1939,6 @@
   return
 
   end subroutine fddyz
-  subroutine fderivs_batch4(ex,f1,f2,f3,f4, &
-                            f1x,f1y,f1z,f2x,f2y,f2z,f3x,f3y,f3z,f4x,f4y,f4z, &
-                            X,Y,Z,SYM1,SYM2,SYM3,symmetry,onoff)
-  implicit none
-
-  integer,                               intent(in ):: ex(1:3),symmetry,onoff
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(in ):: f1,f2,f3,f4
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f1x,f1y,f1z
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f2x,f2y,f2z
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f3x,f3y,f3z
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f4x,f4y,f4z
-  real*8,                                intent(in) :: X(ex(1)),Y(ex(2)),Z(ex(3))
-  real*8,                                intent(in ):: SYM1,SYM2,SYM3
-
-!~~~~~~ other variables
-
-  real*8 :: dX,dY,dZ
-  real*8,dimension(-1:ex(1),-1:ex(2),-1:ex(3)) :: fh1,fh2,fh3,fh4
-  real*8, dimension(3) :: SoA
-  integer :: imin,jmin,kmin,imax,jmax,kmax,i,j,k
-  real*8 :: d12dx,d12dy,d12dz,d2dx,d2dy,d2dz
-  integer, parameter :: NO_SYMM = 0, EQ_SYMM = 1, OCTANT = 2
-  real*8,  parameter :: ZEO=0.d0,ONE=1.d0
-  real*8,  parameter :: TWO=2.d0,EIT=8.d0
-  real*8,  parameter :: F12=1.2d1
-
-  dX = X(2)-X(1)
-  dY = Y(2)-Y(1)
-  dZ = Z(2)-Z(1)
-
-  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 = -1
-  if(Symmetry > EQ_SYMM .and. dabs(X(1)) < dX) imin = -1
-  if(Symmetry > EQ_SYMM .and. dabs(Y(1)) < dY) jmin = -1
-
-  SoA(1) = SYM1
-  SoA(2) = SYM2
-  SoA(3) = SYM3
-
-  call symmetry_bd(2,ex,f1,fh1,SoA)
-  call symmetry_bd(2,ex,f2,fh2,SoA)
-  call symmetry_bd(2,ex,f3,fh3,SoA)
-  call symmetry_bd(2,ex,f4,fh4,SoA)
-
-  d12dx = ONE/F12/dX
-  d12dy = ONE/F12/dY
-  d12dz = ONE/F12/dZ
-
-  d2dx = ONE/TWO/dX
-  d2dy = ONE/TWO/dY
-  d2dz = ONE/TWO/dZ
-
-  f1x = ZEO; f1y = ZEO; f1z = ZEO
-  f2x = ZEO; f2y = ZEO; f2z = ZEO
-  f3x = ZEO; f3y = ZEO; f3z = ZEO
-  f4x = ZEO; f4y = ZEO; f4z = ZEO
-
-  do k=1,ex(3)-1
-  do j=1,ex(2)-1
-  do i=1,ex(1)-1
-   if(i+2 <= imax .and. i-2 >= imin .and. &
-      j+2 <= jmax .and. j-2 >= jmin .and. &
-      k+2 <= kmax .and. k-2 >= kmin) then
-      f1x(i,j,k)=d12dx*(fh1(i-2,j,k)-EIT*fh1(i-1,j,k)+EIT*fh1(i+1,j,k)-fh1(i+2,j,k))
-      f1y(i,j,k)=d12dy*(fh1(i,j-2,k)-EIT*fh1(i,j-1,k)+EIT*fh1(i,j+1,k)-fh1(i,j+2,k))
-      f1z(i,j,k)=d12dz*(fh1(i,j,k-2)-EIT*fh1(i,j,k-1)+EIT*fh1(i,j,k+1)-fh1(i,j,k+2))
-
-      f2x(i,j,k)=d12dx*(fh2(i-2,j,k)-EIT*fh2(i-1,j,k)+EIT*fh2(i+1,j,k)-fh2(i+2,j,k))
-      f2y(i,j,k)=d12dy*(fh2(i,j-2,k)-EIT*fh2(i,j-1,k)+EIT*fh2(i,j+1,k)-fh2(i,j+2,k))
-      f2z(i,j,k)=d12dz*(fh2(i,j,k-2)-EIT*fh2(i,j,k-1)+EIT*fh2(i,j,k+1)-fh2(i,j,k+2))
-
-      f3x(i,j,k)=d12dx*(fh3(i-2,j,k)-EIT*fh3(i-1,j,k)+EIT*fh3(i+1,j,k)-fh3(i+2,j,k))
-      f3y(i,j,k)=d12dy*(fh3(i,j-2,k)-EIT*fh3(i,j-1,k)+EIT*fh3(i,j+1,k)-fh3(i,j+2,k))
-      f3z(i,j,k)=d12dz*(fh3(i,j,k-2)-EIT*fh3(i,j,k-1)+EIT*fh3(i,j,k+1)-fh3(i,j,k+2))
-
-      f4x(i,j,k)=d12dx*(fh4(i-2,j,k)-EIT*fh4(i-1,j,k)+EIT*fh4(i+1,j,k)-fh4(i+2,j,k))
-      f4y(i,j,k)=d12dy*(fh4(i,j-2,k)-EIT*fh4(i,j-1,k)+EIT*fh4(i,j+1,k)-fh4(i,j+2,k))
-      f4z(i,j,k)=d12dz*(fh4(i,j,k-2)-EIT*fh4(i,j,k-1)+EIT*fh4(i,j,k+1)-fh4(i,j,k+2))
-   elseif(i+1 <= imax .and. i-1 >= imin .and. &
-          j+1 <= jmax .and. j-1 >= jmin .and. &
-          k+1 <= kmax .and. k-1 >= kmin) then
-      f1x(i,j,k)=d2dx*(-fh1(i-1,j,k)+fh1(i+1,j,k))
-      f1y(i,j,k)=d2dy*(-fh1(i,j-1,k)+fh1(i,j+1,k))
-      f1z(i,j,k)=d2dz*(-fh1(i,j,k-1)+fh1(i,j,k+1))
-
-      f2x(i,j,k)=d2dx*(-fh2(i-1,j,k)+fh2(i+1,j,k))
-      f2y(i,j,k)=d2dy*(-fh2(i,j-1,k)+fh2(i,j+1,k))
-      f2z(i,j,k)=d2dz*(-fh2(i,j,k-1)+fh2(i,j,k+1))
-
-      f3x(i,j,k)=d2dx*(-fh3(i-1,j,k)+fh3(i+1,j,k))
-      f3y(i,j,k)=d2dy*(-fh3(i,j-1,k)+fh3(i,j+1,k))
-      f3z(i,j,k)=d2dz*(-fh3(i,j,k-1)+fh3(i,j,k+1))
-
-      f4x(i,j,k)=d2dx*(-fh4(i-1,j,k)+fh4(i+1,j,k))
-      f4y(i,j,k)=d2dy*(-fh4(i,j-1,k)+fh4(i,j+1,k))
-      f4z(i,j,k)=d2dz*(-fh4(i,j,k-1)+fh4(i,j,k+1))
-   endif
-  enddo
-  enddo
-  enddo
-
-  return
-
-  end subroutine fderivs_batch4
-!-----------------------------------------------------------------------------
-! batch first derivatives (3 fields), same symmetry setup
-!-----------------------------------------------------------------------------
-  subroutine fderivs_batch3(ex,f1,f2,f3, &
-                            f1x,f1y,f1z,f2x,f2y,f2z,f3x,f3y,f3z, &
-                            X,Y,Z,SYM1,SYM2,SYM3,symmetry,onoff)
-  implicit none
-
-  integer,                               intent(in ):: ex(1:3),symmetry,onoff
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(in ):: f1,f2,f3
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f1x,f1y,f1z
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f2x,f2y,f2z
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f3x,f3y,f3z
-  real*8,                                intent(in) :: X(ex(1)),Y(ex(2)),Z(ex(3))
-  real*8,                                intent(in ):: SYM1,SYM2,SYM3
-
-!~~~~~~ other variables
-
-  real*8 :: dX,dY,dZ
-  real*8,dimension(-1:ex(1),-1:ex(2),-1:ex(3)) :: fh1,fh2,fh3
-  real*8, dimension(3) :: SoA
-  integer :: imin,jmin,kmin,imax,jmax,kmax,i,j,k
-  real*8 :: d12dx,d12dy,d12dz,d2dx,d2dy,d2dz
-  integer, parameter :: NO_SYMM = 0, EQ_SYMM = 1, OCTANT = 2
-  real*8,  parameter :: ZEO=0.d0,ONE=1.d0
-  real*8,  parameter :: TWO=2.d0,EIT=8.d0
-  real*8,  parameter :: F12=1.2d1
-
-  dX = X(2)-X(1)
-  dY = Y(2)-Y(1)
-  dZ = Z(2)-Z(1)
-
-  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 = -1
-  if(Symmetry > EQ_SYMM .and. dabs(X(1)) < dX) imin = -1
-  if(Symmetry > EQ_SYMM .and. dabs(Y(1)) < dY) jmin = -1
-
-  SoA(1) = SYM1
-  SoA(2) = SYM2
-  SoA(3) = SYM3
-
-  call symmetry_bd(2,ex,f1,fh1,SoA)
-  call symmetry_bd(2,ex,f2,fh2,SoA)
-  call symmetry_bd(2,ex,f3,fh3,SoA)
-
-  d12dx = ONE/F12/dX
-  d12dy = ONE/F12/dY
-  d12dz = ONE/F12/dZ
-
-  d2dx = ONE/TWO/dX
-  d2dy = ONE/TWO/dY
-  d2dz = ONE/TWO/dZ
-
-  f1x = ZEO; f1y = ZEO; f1z = ZEO
-  f2x = ZEO; f2y = ZEO; f2z = ZEO
-  f3x = ZEO; f3y = ZEO; f3z = ZEO
-
-  do k=1,ex(3)-1
-  do j=1,ex(2)-1
-  do i=1,ex(1)-1
-   if(i+2 <= imax .and. i-2 >= imin .and. &
-      j+2 <= jmax .and. j-2 >= jmin .and. &
-      k+2 <= kmax .and. k-2 >= kmin) then
-      f1x(i,j,k)=d12dx*(fh1(i-2,j,k)-EIT*fh1(i-1,j,k)+EIT*fh1(i+1,j,k)-fh1(i+2,j,k))
-      f1y(i,j,k)=d12dy*(fh1(i,j-2,k)-EIT*fh1(i,j-1,k)+EIT*fh1(i,j+1,k)-fh1(i,j+2,k))
-      f1z(i,j,k)=d12dz*(fh1(i,j,k-2)-EIT*fh1(i,j,k-1)+EIT*fh1(i,j,k+1)-fh1(i,j,k+2))
-
-      f2x(i,j,k)=d12dx*(fh2(i-2,j,k)-EIT*fh2(i-1,j,k)+EIT*fh2(i+1,j,k)-fh2(i+2,j,k))
-      f2y(i,j,k)=d12dy*(fh2(i,j-2,k)-EIT*fh2(i,j-1,k)+EIT*fh2(i,j+1,k)-fh2(i,j+2,k))
-      f2z(i,j,k)=d12dz*(fh2(i,j,k-2)-EIT*fh2(i,j,k-1)+EIT*fh2(i,j,k+1)-fh2(i,j,k+2))
-
-      f3x(i,j,k)=d12dx*(fh3(i-2,j,k)-EIT*fh3(i-1,j,k)+EIT*fh3(i+1,j,k)-fh3(i+2,j,k))
-      f3y(i,j,k)=d12dy*(fh3(i,j-2,k)-EIT*fh3(i,j-1,k)+EIT*fh3(i,j+1,k)-fh3(i,j+2,k))
-      f3z(i,j,k)=d12dz*(fh3(i,j,k-2)-EIT*fh3(i,j,k-1)+EIT*fh3(i,j,k+1)-fh3(i,j,k+2))
-   elseif(i+1 <= imax .and. i-1 >= imin .and. &
-          j+1 <= jmax .and. j-1 >= jmin .and. &
-          k+1 <= kmax .and. k-1 >= kmin) then
-      f1x(i,j,k)=d2dx*(-fh1(i-1,j,k)+fh1(i+1,j,k))
-      f1y(i,j,k)=d2dy*(-fh1(i,j-1,k)+fh1(i,j+1,k))
-      f1z(i,j,k)=d2dz*(-fh1(i,j,k-1)+fh1(i,j,k+1))
-
-      f2x(i,j,k)=d2dx*(-fh2(i-1,j,k)+fh2(i+1,j,k))
-      f2y(i,j,k)=d2dy*(-fh2(i,j-1,k)+fh2(i,j+1,k))
-      f2z(i,j,k)=d2dz*(-fh2(i,j,k-1)+fh2(i,j,k+1))
-
-      f3x(i,j,k)=d2dx*(-fh3(i-1,j,k)+fh3(i+1,j,k))
-      f3y(i,j,k)=d2dy*(-fh3(i,j-1,k)+fh3(i,j+1,k))
-      f3z(i,j,k)=d2dz*(-fh3(i,j,k-1)+fh3(i,j,k+1))
-   endif
-  enddo
-  enddo
-  enddo
-
-  return
-
-  end subroutine fderivs_batch3
-!-----------------------------------------------------------------------------
-! batch first derivatives (2 fields), same symmetry setup
-!-----------------------------------------------------------------------------
-  subroutine fderivs_batch2(ex,f1,f2, &
-                            f1x,f1y,f1z,f2x,f2y,f2z, &
-                            X,Y,Z,SYM1,SYM2,SYM3,symmetry,onoff)
-  implicit none
-
-  integer,                               intent(in ):: ex(1:3),symmetry,onoff
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(in ):: f1,f2
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f1x,f1y,f1z
-  real*8,  dimension(ex(1),ex(2),ex(3)), intent(out):: f2x,f2y,f2z
-  real*8,                                intent(in) :: X(ex(1)),Y(ex(2)),Z(ex(3))
-  real*8,                                intent(in ):: SYM1,SYM2,SYM3
-
-!~~~~~~ other variables
-
-  real*8 :: dX,dY,dZ
-  real*8,dimension(-1:ex(1),-1:ex(2),-1:ex(3)) :: fh1,fh2
-  real*8, dimension(3) :: SoA
-  integer :: imin,jmin,kmin,imax,jmax,kmax,i,j,k
-  real*8 :: d12dx,d12dy,d12dz,d2dx,d2dy,d2dz
-  integer, parameter :: NO_SYMM = 0, EQ_SYMM = 1, OCTANT = 2
-  real*8,  parameter :: ZEO=0.d0,ONE=1.d0
-  real*8,  parameter :: TWO=2.d0,EIT=8.d0
-  real*8,  parameter :: F12=1.2d1
-
-  dX = X(2)-X(1)
-  dY = Y(2)-Y(1)
-  dZ = Z(2)-Z(1)
-
-  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 = -1
-  if(Symmetry > EQ_SYMM .and. dabs(X(1)) < dX) imin = -1
-  if(Symmetry > EQ_SYMM .and. dabs(Y(1)) < dY) jmin = -1
-
-  SoA(1) = SYM1
-  SoA(2) = SYM2
-  SoA(3) = SYM3
-
-  call symmetry_bd(2,ex,f1,fh1,SoA)
-  call symmetry_bd(2,ex,f2,fh2,SoA)
-
-  d12dx = ONE/F12/dX
-  d12dy = ONE/F12/dY
-  d12dz = ONE/F12/dZ
-
-  d2dx = ONE/TWO/dX
-  d2dy = ONE/TWO/dY
-  d2dz = ONE/TWO/dZ
-
-  f1x = ZEO; f1y = ZEO; f1z = ZEO
-  f2x = ZEO; f2y = ZEO; f2z = ZEO
-
-  do k=1,ex(3)-1
-  do j=1,ex(2)-1
-  do i=1,ex(1)-1
-   if(i+2 <= imax .and. i-2 >= imin .and. &
-      j+2 <= jmax .and. j-2 >= jmin .and. &
-      k+2 <= kmax .and. k-2 >= kmin) then
-      f1x(i,j,k)=d12dx*(fh1(i-2,j,k)-EIT*fh1(i-1,j,k)+EIT*fh1(i+1,j,k)-fh1(i+2,j,k))
-      f1y(i,j,k)=d12dy*(fh1(i,j-2,k)-EIT*fh1(i,j-1,k)+EIT*fh1(i,j+1,k)-fh1(i,j+2,k))
-      f1z(i,j,k)=d12dz*(fh1(i,j,k-2)-EIT*fh1(i,j,k-1)+EIT*fh1(i,j,k+1)-fh1(i,j,k+2))
-
-      f2x(i,j,k)=d12dx*(fh2(i-2,j,k)-EIT*fh2(i-1,j,k)+EIT*fh2(i+1,j,k)-fh2(i+2,j,k))
-      f2y(i,j,k)=d12dy*(fh2(i,j-2,k)-EIT*fh2(i,j-1,k)+EIT*fh2(i,j+1,k)-fh2(i,j+2,k))
-      f2z(i,j,k)=d12dz*(fh2(i,j,k-2)-EIT*fh2(i,j,k-1)+EIT*fh2(i,j,k+1)-fh2(i,j,k+2))
-   elseif(i+1 <= imax .and. i-1 >= imin .and. &
-          j+1 <= jmax .and. j-1 >= jmin .and. &
-          k+1 <= kmax .and. k-1 >= kmin) then
-      f1x(i,j,k)=d2dx*(-fh1(i-1,j,k)+fh1(i+1,j,k))
-      f1y(i,j,k)=d2dy*(-fh1(i,j-1,k)+fh1(i,j+1,k))
-      f1z(i,j,k)=d2dz*(-fh1(i,j,k-1)+fh1(i,j,k+1))
-
-      f2x(i,j,k)=d2dx*(-fh2(i-1,j,k)+fh2(i+1,j,k))
-      f2y(i,j,k)=d2dy*(-fh2(i,j-1,k)+fh2(i,j+1,k))
-      f2z(i,j,k)=d2dz*(-fh2(i,j,k-1)+fh2(i,j,k+1))
-   endif
-  enddo
-  enddo
-  enddo
-
-  return
-
-  end subroutine fderivs_batch2
 
 #elif (ghost_width == 4)
 ! sixth order code
@@ -2380,9 +2077,6 @@
 
   end subroutine fderivs
 !-----------------------------------------------------------------------------
-! batch first derivatives (4 fields), same symmetry setup
-!-----------------------------------------------------------------------------
-!-----------------------------------------------------------------------------
 !
 ! single derivatives dx
 !

AMSS_NCKU_source/fmisc.f90

@@ -1276,9 +1276,7 @@ end subroutine d2dump
   real*8            :: dX, dY, dZ
   integer::imin,jmin,kmin
   integer::imax,jmax,kmax
-  integer::i,j,k,n_elements
+  integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   dX = X(2) - X(1)
   dY = Y(2) - Y(1)
@@ -1302,12 +1300,7 @@ if(dabs(X(1)-xmin) < dX) imin = 1
 if(dabs(Y(1)-ymin) < dY) jmin = 1
 if(dabs(Z(1)-zmin) < dZ) kmin = 1
 
-! Optimized with oneMKL BLAS DDOT for dot product
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
-n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(n_elements))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
-f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
 f_out = f_out*dX*dY*dZ
 
@@ -1332,9 +1325,7 @@ f_out = f_out*dX*dY*dZ
   real*8            :: dX, dY, dZ
   integer::imin,jmin,kmin
   integer::imax,jmax,kmax
-  integer::i,j,k,n_elements
+  integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   real*8 :: PIo4
 
@@ -1397,12 +1388,7 @@ if(Symmetry==2)then
   if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
 endif
 
-! Optimized with oneMKL BLAS DDOT for dot product
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
-n_elements = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(n_elements))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [n_elements])
-f_out = DDOT(n_elements, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
 f_out = f_out*dX*dY*dZ
 
@@ -1430,8 +1416,6 @@ f_out = f_out*dX*dY*dZ
   integer::imin,jmin,kmin
   integer::imax,jmax,kmax
   integer::i,j,k
-  real*8, dimension(:), allocatable :: f_flat
-  real*8, external :: DDOT
 
   real*8 :: PIo4
 
@@ -1494,12 +1478,11 @@ if(Symmetry==2)then
   if(dabs(ymin+gw*dY)<dY.and.Y(1)<0.d0) jmin = gw+1
 endif
 
-! Optimized with oneMKL BLAS DDOT for dot product
+f_out = sum(f(imin:imax,jmin:jmax,kmin:kmax)*f(imin:imax,jmin:jmax,kmin:kmax))
+
+f_out = f_out
+
 Nout = (imax-imin+1)*(jmax-jmin+1)*(kmax-kmin+1)
-allocate(f_flat(Nout))
-f_flat = reshape(f(imin:imax,jmin:jmax,kmin:kmax), [Nout])
-f_out = DDOT(Nout, f_flat, 1, f_flat, 1)
-deallocate(f_flat)
 
   return
 
@@ -1697,7 +1680,6 @@ deallocate(f_flat)
   real*8, dimension(ORDN,ORDN) :: tmp2
   real*8, dimension(ORDN) :: tmp1
   real*8, dimension(3) :: SoAh
-  real*8, external :: DDOT
 
 ! +1 because c++ gives 0 for first point
   cxB = inds+1  
@@ -1733,21 +1715,20 @@ deallocate(f_flat)
      ya=fh(cxB(1):cxT(1),cxB(2):cxT(2),cxB(3):cxT(3))
   endif 
 
-  ! Optimized with BLAS operations for better performance
-  ! First dimension: z-direction weighted sum
   tmp2=0
   do m=1,ORDN
     tmp2 = tmp2 + coef(2*ORDN+m)*ya(:,:,m)
   enddo
 
-  ! Second dimension: y-direction weighted sum
   tmp1=0
   do m=1,ORDN
     tmp1 = tmp1 + coef(ORDN+m)*tmp2(:,m)
   enddo
 
-  ! Third dimension: x-direction weighted sum using BLAS DDOT
+  f_int=0
-  f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1777,7 +1758,6 @@ deallocate(f_flat)
   real*8, dimension(ORDN,ORDN) :: ya
   real*8, dimension(ORDN) :: tmp1
   real*8, dimension(2) :: SoAh
-  real*8, external :: DDOT
 
 ! +1 because c++ gives 0 for first point
   cxB = inds(1:2)+1  
@@ -1807,14 +1787,15 @@ deallocate(f_flat)
      ya=fh(cxB(1):cxT(1),cxB(2):cxT(2),inds(3))
   endif 
 
-  ! Optimized with BLAS operations
   tmp1=0
   do m=1,ORDN
     tmp1 = tmp1 + coef(ORDN+m)*ya(:,m)
   enddo
 
-  ! Use BLAS DDOT for final weighted sum
+  f_int=0
-  f_int = DDOT(ORDN, coef(1:ORDN), 1, tmp1, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*tmp1(m)
+  enddo
 
   return
 
@@ -1845,7 +1826,6 @@ deallocate(f_flat)
   real*8, dimension(ORDN) :: ya
   real*8 :: SoAh
   integer,dimension(3) :: inds
-  real*8, external :: DDOT
 
 ! +1 because c++ gives 0 for first point
   inds = indsi + 1
@@ -1906,8 +1886,10 @@ deallocate(f_flat)
           write(*,*)"error in global_interpind1d, not recognized dumyd = ",dumyd
   endif
 
-  ! Optimized with BLAS DDOT for weighted sum
+  f_int=0
-  f_int = DDOT(ORDN, coef, 1, ya, 1)
+  do m=1,ORDN
+    f_int = f_int + coef(m)*ya(m)
+  enddo
 
   return
 
@@ -2139,38 +2121,24 @@ deallocate(f_flat)
 
   end function fWigner_d_function
 !----------------------------------
-! Optimized factorial function using lookup table for small N
-! and log-gamma for large N to avoid overflow
   function ffact(N) result(gont)
   implicit none
   integer,intent(in) :: N
 
   real*8 :: gont
-  integer :: i
 
-  ! Lookup table for factorials 0! to 20! (precomputed)
+  integer :: i
-  real*8, parameter, dimension(0:20) :: fact_table = [ &
-    1.d0, 1.d0, 2.d0, 6.d0, 24.d0, 120.d0, 720.d0, 5040.d0, 40320.d0, &
-    362880.d0, 3628800.d0, 39916800.d0, 479001600.d0, 6227020800.d0, &
-    87178291200.d0, 1307674368000.d0, 20922789888000.d0, &
-    355687428096000.d0, 6402373705728000.d0, 121645100408832000.d0, &
-    2432902008176640000.d0 ]
 
 ! sanity check
   if(N < 0)then
      write(*,*) "ffact: error input for factorial"
-     gont = 1.d0
      return
   endif
 
-  ! Use lookup table for small N (fast path)
+  gont = 1.d0
-  if(N <= 20)then
+  do i=1,N
-     gont = fact_table(N)
+     gont = gont*i
-  else
+  enddo
-     ! Use log-gamma function for large N: N! = exp(log_gamma(N+1))
-     ! This avoids overflow and is computed efficiently
-     gont = exp(log_gamma(dble(N+1)))
-  endif
 
   return
 

AMSS_NCKU_source/gaussj.C

@@ -16,66 +16,115 @@ using namespace std;
 #include <string.h>
 #include <math.h>
 #endif
-
+/* Linear equation solution by Gauss-Jordan elimination.
-// Intel oneMKL LAPACK interface
-#include <mkl_lapacke.h>
-/* Linear equation solution using Intel oneMKL LAPACK.
 a[0..n-1][0..n-1] is the input matrix. b[0..n-1] is input
 containing the right-hand side vectors. On output a is
 replaced by its matrix inverse, and b is replaced by the
-corresponding set of solution vectors.
+corresponding set of solution vectors */
-
-Mathematical equivalence:
-  Solves: A * x = b  =>  x = A^(-1) * b
-  Original Gauss-Jordan and LAPACK dgesv/dgetri produce identical results
-  within numerical precision. */
 
 int gaussj(double *a, double *b, int n)
 {
-  // Allocate pivot array and workspace
+  double swap;
-  lapack_int *ipiv = new lapack_int[n];
-  lapack_int info;
 
-  // Make a copy of matrix a for solving (dgesv modifies it to LU form)
+  int *indxc, *indxr, *ipiv;
-  double *a_copy = new double[n * n];
+  indxc = new int[n];
-  for (int i = 0; i < n * n; i++) {
+  indxr = new int[n];
-    a_copy[i] = a[i];
+  ipiv = new int[n];
+
+  int i, icol, irow, j, k, l, ll;
+  double big, dum, pivinv, temp;
+
+  for (j = 0; j < n; j++)
+    ipiv[j] = 0;
+  for (i = 0; i < n; i++)
+  {
+    big = 0.0;
+    for (j = 0; j < n; j++)
+      if (ipiv[j] != 1)
+        for (k = 0; k < n; k++)
+        {
+          if (ipiv[k] == 0)
+          {
+            if (fabs(a[j * n + k]) >= big)
+            {
+              big = fabs(a[j * n + k]);
+              irow = j;
+              icol = k;
+            }
+          }
+          else if (ipiv[k] > 1)
+          {
+            cout << "gaussj: Singular Matrix-1" << endl;
+            for (int ii = 0; ii < n; ii++)
+            {
+              for (int jj = 0; jj < n; jj++)
+                cout << a[ii * n + jj] << " ";
+              cout << endl;
+            }
+            return 1; // error return
+          }
         }
 
-  // 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/macrodef.h

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

AMSS_NCKU_source/makefile.inc

@@ -1,32 +1,22 @@
-## GCC version (commented out)
-## filein  = -I/usr/include -I/usr/lib/x86_64-linux-gnu/mpich/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
-## filein  = -I/usr/include/ -I/usr/include/openmpi-x86_64/ -I/usr/lib/x86_64-linux-gnu/openmpi/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/
-## LDLIBS  = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -lmpi -lgfortran
 
-## Intel oneAPI version with oneMKL (Optimized for performance)
+filein  = -I/usr/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/14/ -I/usr/include/c++/14/
-filein  = -I/usr/include/ -I${MKLROOT}/include
 
-## Using sequential MKL (OpenMP disabled for better single-threaded performance)
+##filein  = -I/usr/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/include/ -I/usr/lib/x86_64-linux-gnu/openmpi/lib/ -I/usr/lib/gcc/x86_64-linux-gnu/11/ -I/usr/include/c++/11/ -I/usr/lib/cuda/include
-## Added -lifcore for Intel Fortran runtime and -limf for Intel math library
-LDLIBS  = -L${MKLROOT}/lib -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lifcore -limf -lpthread -lm -ldl
 
-## Aggressive optimization flags:
+LDLIBS  = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/14 -lgfortran -lmpi -lgfortran -lcudart -lcuda
-## -O3: Maximum optimization
+##LDLIBS  = -L/usr/lib/x86_64-linux-gnu -L/usr/lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11 -lgfortran -L/usr/lib/cuda/lib64 -lcudart -lmpi -lgfortran
-## -xHost: Optimize for the host CPU architecture (Intel/AMD compatible)
+
-## -fp-model fast=2: Aggressive floating-point optimizations
+CXXAPPFLAGS  = -O3 -Wno-deprecated -Dfortran3 -Dnewc
-## -fma: Enable fused multiply-add instructions
+#f90appflags = -O3 -fpp
-## Note: OpenMP has been disabled (-qopenmp removed) due to performance issues
+f90appflags  = -O3 -x f95-cpp-input
-CXXAPPFLAGS  = -O3 -xHost -fp-model fast=2 -fma \
+f90          = gfortran 
-               -Dfortran3 -Dnewc -I${MKLROOT}/include
+f77          = gfortran 
-f90appflags  = -O3 -xHost -fp-model fast=2 -fma \
+CXX          = g++
-               -fpp -I${MKLROOT}/include
+CC           = gcc
-f90          = ifx
+CLINKER      = mpic++ 
-f77          = ifx
-CXX          = icpx
-CC           = icx
-CLINKER      = mpiicpx 
 
 Cu = nvcc
 CUDA_LIB_PATH = -L/usr/lib/cuda/lib64 -I/usr/include -I/usr/lib/cuda/include
 #CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -arch compute_13 -code compute_13,sm_13 -Dfortran3 -Dnewc
-CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -Dfortran3 -Dnewc
+# RTX 4050 uses Ada Lovelace architecture (compute capability 8.9)
+CUDA_APP_FLAGS = -c -g -O3 --ptxas-options=-v -arch=sm_89 -Dfortran3 -Dnewc

generate_macrodef.py

@@ -253,19 +253,7 @@ def generate_macrodef_h():
     # Define macro buffer_width
     # number of buffer points for mesh-refinement interfaces
     
-    # Calculate ghost_width based on Finite_Diffenence_Method to optimize buffer_width
+    print( "#define buffer_width 6",                     file=file1 )
-    if ( input_data.Finite_Diffenence_Method == "2nd-order" ):
-        gw = 2
-    elif ( input_data.Finite_Diffenence_Method == "4th-order" ):
-        gw = 3
-    elif ( input_data.Finite_Diffenence_Method == "6th-order" ):
-        gw = 4
-    elif ( input_data.Finite_Diffenence_Method == "8th-order" ):
-        gw = 5
-    else:
-        gw = 5 # Default conservative value
-        
-    print( f"#define buffer_width {gw + 1}",      file=file1 )
     print(                                               file=file1 )
 
     # Define macro SC_width as buffer_width
@@ -404,17 +392,6 @@ def generate_macrodef_fh():
         print( "# Finite_Difference_Method #define ghost_width setting error!!!",   file=file1 )
         print(                                                   file=file1 )
 
-    # Define macro DEBUG_NAN_CHECK
-    # 0: off (default), 1: on
-
-    debug_nan_check = getattr(input_data, "Debug_NaN_Check", 0)
-    if debug_nan_check:
-        print( "#define DEBUG_NAN_CHECK 1", file=file1 )
-        print(                             file=file1 )
-    else:
-        print( "#define DEBUG_NAN_CHECK 0", file=file1 )
-        print(                             file=file1 )
-
     # Whether to use a shell-patch grid
     # use shell or not
 
@@ -537,9 +514,6 @@ def generate_macrodef_fh():
     print( "    6th order: 4",                                                                      file=file1 )
     print( "    8th order: 5",                                                                      file=file1 )
     print(                                                                                          file=file1 )
-    print( "define DEBUG_NAN_CHECK",                                                                file=file1 )
-    print( "    0: off (default), 1: on",                                                           file=file1 )
-    print(                                                                                          file=file1 )
     print( "define WithShell",                                                                      file=file1 )
     print( "    use shell or not",                                                                  file=file1 )
     print(                                                                                          file=file1 )

inputfile_example/AMSS_NCKU_Input.py

@@ -36,7 +36,6 @@ Equation_Class           = "BSSN"                  ## Evolution Equation: choose
 Initial_Data_Method      = "Ansorg-TwoPuncture"    ## initial data method: choose "Ansorg-TwoPuncture", "Lousto-Analytical", "Cao-Analytical", "KerrSchild-Analytical"
 Time_Evolution_Method    = "runge-kutta-45"        ## time evolution method: choose "runge-kutta-45"
 Finite_Diffenence_Method = "4th-order"             ## finite-difference method: choose "2nd-order", "4th-order", "6th-order", "8th-order"
-Debug_NaN_Check          = 0                       ## enable NaN checks in compute_rhs_bssn: 0 (off) or 1 (on)
 
 #################################################
 

makefile_and_run.py

@@ -11,18 +11,6 @@
 import AMSS_NCKU_Input as input_data
 import subprocess
 
-## 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 4-55,60-111"
-NUMACTL_CPU_BIND = ""
-
-## Build parallelism configuration
-## Use nohz_full cores (4-55, 60-111) for compilation: 52 + 52 = 104 cores
-## Set make -j to utilize available cores for faster builds
-BUILD_JOBS = 14
-
 
 ##################################################################
 
@@ -38,11 +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(                                                    )
@@ -79,8 +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) 
@@ -117,10 +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
@@ -159,7 +147,7 @@ def run_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