Changes in Hardcoded implemention

Author: DimAdam-01

docs/documentation/case.md

@@ -245,6 +245,7 @@ specific timestep to be extended uniformly in the transverse direction and used
 
 case(370) in 3dHardcodedIC.fpp: used to build 3D domains by extruding 2D data along the third dimension.
 
+The variables xRows, yRows, and init_dir must be defined to specify the grid dimensions of the previous simulation and the directory where the input files are located.
 #### Parameter Descriptions
 
 - `num_patches` defines the total number of patches defined in the domain.

examples/1D_reactive_shocktube/case.py

@@ -1,8 +1,4 @@
 #!/usr/bin/env python3
-# References:
-# + https://doi.org/10.1016/j.ijhydene.2023.03.190:  Verification of numerical method
-# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.7. Multi-species reactive shock tube
-
 import json, argparse
 import cantera as ct
 

examples/2D_Detonation/case.py

@@ -98,7 +98,7 @@
     "patch_icpp(2)%alpha(1)": 1,
     "patch_icpp(2)%alpha_rho(1)": sol_L.density,
     "patch_icpp(2)%alter_patch(1)": "T",
-    # Fluids Physical Parameters ===============================================
+    # Fluids Physical Parameters
     "fluid_pp(1)%gamma": 1.0e00 / (4.4e00 - 1.0e00),
     "fluid_pp(1)%pi_inf": 0,
 }

src/pre_process/include/1dHardcodedIC.fpp

@@ -12,23 +12,20 @@
 !>     `prim.<variable>.00.<timestep>.dat`
 !>     (produced when parallel I/O is disabled in `case.py`).
 !>   - Configurable parameters:
-!>       - @c nFiles: total number of primitive‐variable files.
 !>       - @c nRows: total number of grid points in the 1D profile.
 !>   - Default file directory: `examples/Case_File/D`
 !>
-!> @param nFiles Total number of primitive‐variable files to read.
 !> @param nRows Total number of grid points in the imported 1D profile.
 
     ! Place any declaration of intermediate variables here
-    integer, parameter :: nFiles = 14   ! Number of files (variables) that are being read
     integer, parameter :: nRows = 512   ! Number of grid points
     integer :: f, iter, ios, unit, idx
     real(wp) :: x_len, x_step
     integer :: global_offset            ! MPI subdomain offset
     real(wp) :: delta
-    character(len=100), dimension(nFiles) :: fileNames ! Arrays to store all data from files
+    character(len=100), dimension(sys_size) :: fileNames ! Arrays to store all data from files
     character(len=200) :: errmsg
-    real(wp), dimension(nRows, nFiles) :: stored_values  ! Imported Data
+    real(wp), dimension(nRows, sys_size) :: stored_values  ! Imported Data
     real(wp), dimension(nRows) :: x_coords
     logical :: files_loaded = .false.
     real(wp) :: domain_start, domain_end
@@ -37,31 +34,32 @@
     character(len=20) :: zeros_part       ! For the trailing zeros part
     character(len=6), parameter :: zeros_default = "000000"  ! Default zeros (can be changed)
 
-    ! Generate file names in a loop
-    do f = 1, nFiles
-        ! Convert file number to string with proper formatting
-        if (f < 10) then
-            write (file_num_str, '(I1)') f  ! Single digit
-        else
-            write (file_num_str, '(I2)') f  ! Double digit
-        end if
-        fileNames(f) = trim(init_dir)//"prim."//trim(file_num_str)//".00."//zeros_default//".dat"
-        ! Create the filename with the pattern "prim.X.00.000000.dat"
-    end do
-
 #:enddef
 
 #:def Hardcoded1D()
 
     select case (patch_icpp(patch_id)%hcid)
     case (100)
+
+        ! Generate file names in a loop
+        do f = 1, sys_size
+            ! Convert file number to string with proper formatting
+            if (f < 10) then
+                write (file_num_str, '(I1)') f  ! Single digit
+            else
+                write (file_num_str, '(I2)') f  ! Double digit
+            end if
+            fileNames(f) = trim(init_dir)//"prim."//trim(file_num_str)//".00."//zeros_default//".dat"
+            ! Create the filename with the pattern "prim.X.00.000000.dat"
+        end do
         ! Put your variable assignments here
         if (.not. files_loaded) then
-            do f = 1, nFiles
+            do f = 1, sys_size
                 ! Open the file for reading
                 open (newunit=unit, file=trim(fileNames(f)), status='old', action='read', iostat=ios)
-                if (ios /= 0) then
-                    cycle  ! Skip this file on error
+                if (ios /= 0 .and. proc_rank == 0) then
+                    write (errmsg, '(A,A)') "Error opening file: ", trim(fileNames(f))
+                    call s_mpi_abort(trim(errmsg))
                 end if
                 ! Read all rows at once into memory
                 do iter = 1, nRows
@@ -85,7 +83,7 @@
         end if
         ! Simple mapping - find the closest index
         idx = i + 1 + global_offset
-        do f = 1, nFiles
+        do f = 1, sys_size
             q_prim_vf(f)%sf(i, 0, 0) = stored_values(idx, f)
         end do
 

src/pre_process/include/2dHardcodedIC.fpp

@@ -5,26 +5,25 @@
 !> @details
 !> Reads a sequence of 1D primitive-variable files and maps them onto
 !> a 2D domain along the x-direction. These files are produced when parallel I/O is disabled in `case.py`.
-!> Parameters control file counts, grid resolution, and domain offsets.
+!> Parameters control grid resolution, and domain offsets.
 !>
-!> @param nFiles        Number of primitive-variable files to read
 !> @param nRows         Number of grid points per row
 !> @param init_dir      Directory containing the `prim.*.dat` files
     real(wp) :: eps
     real(wp) :: r, rmax, gam, umax, p0
     real(wp) :: rhoH, rhoL, pRef, pInt, h, lam, wl, amp, intH, intL, alph
     real(wp) :: factor
 
-    integer, parameter :: nFiles = 14   ! Number of files (variables)
-    integer, parameter :: nRows = 401   ! Number of grid points
+    !integer :: nFiles    ! Number of files (variables)
+    integer, parameter :: nRows = 401    ! Number of grid points
     integer :: f, iter, ios, unit, idx, jump, index_1
     real(wp) :: x_len, x_step
     integer :: global_offset  ! MPI subdomain offset
     real(wp) :: delta_x
-    character(len=100), dimension(nFiles) :: fileNames
+    character(len=100), dimension(sys_size - 1) :: fileNames
     character(len=200) :: errmsg
     ! Arrays to store all data from files
-    real(wp), dimension(nRows, nFiles) :: stored_values  ! Imported Data
+    real(wp), dimension(nRows, sys_size - 1) :: stored_values  ! Imported Data
     real(wp), dimension(nRows) :: x_coords
     logical :: files_loaded = .false.
     real(wp) :: domain_start, domain_end
@@ -33,16 +32,6 @@
     character(len=20) :: zeros_part       ! For the trailing zeros part
     character(len=6), parameter :: zeros_default = "018681"  ! Default zeros (can be changed)
     ! Generate file names in a loop
-    do f = 1, nFiles
-        ! Convert file number to string with proper formatting
-        if (f < 10) then
-            write (file_num_str, '(I1)') f  ! Single digit
-        else
-            write (file_num_str, '(I2)') f  ! Double digit
-            ! For more than 99 files, you might need to adjust this format
-        end if
-        fileNames(f) = trim(init_dir)//"prim."//trim(file_num_str)//".00."//zeros_default//".dat"
-    end do
 
     eps = 1e-9_wp
 
@@ -198,14 +187,27 @@
         end if
 
     case (270)
+
+        do f = 1, sys_size - 1
+            ! Convert file number to string with proper formatting
+            if (f < 10) then
+                write (file_num_str, '(I1)') f  ! Single digit
+            else
+                write (file_num_str, '(I2)') f  ! Double digit
+                ! For more than 99 files, you might need to adjust this format
+            end if
+            fileNames(f) = trim(init_dir)//"prim."//trim(file_num_str)//".00."//zeros_default//".dat"
+        end do
+
         if (.not. files_loaded) then
             ! Print status message
             index_1 = i
-            do f = 1, nFiles
+            do f = 1, sys_size - 1
                 ! Open the file for reading
                 open (newunit=unit, file=trim(fileNames(f)), status='old', action='read', iostat=ios)
-                if (ios /= 0) then
-                    cycle  ! Skip this file on error
+                if (ios /= 0 .and. proc_rank == 0) then
+                    write (errmsg, '(A,A)') "Error opening file: ", trim(fileNames(f))
+                    call s_mpi_abort(trim(errmsg))
                 end if
                 ! Read all rows at once into memory
                 do iter = 1, nRows
@@ -228,7 +230,7 @@
         end if
         ! Calculate the index in the file data array corresponding to x_cc(i)
         idx = i + 1 + global_offset - index_1
-        do f = 1, nFiles
+        do f = 1, sys_size - 1
             if (f >= momxe) then
                 jump = 1
             else

src/pre_process/include/3dHardcodedIC.fpp

@@ -6,7 +6,6 @@
     !> dimension (z), these files are produced when parallel I/O is disabled in `case.py`.
     !> Parameters control file counts (number of primitive variables) grid resolution, and domain offsets in x, and y.
     !>
-    !> @param nFiles         Number of primitive-variable files to read
     !> @param xRows          Number of grid points in the x-direction
     !> @param yRows          Number of grid points in the y-direction
     !> @param init_dir       Directory containing the `prim.*.dat` files
@@ -16,7 +15,6 @@
 
     real(wp) :: eps
 
-    integer, parameter :: nFiles = 15   ! Number of files (variables)
     integer, parameter :: xRows = 401   ! Number of points in x
     integer, parameter :: yRows = 403   ! Number of points in y
     integer, parameter :: nRows = xRows*yRows
@@ -28,10 +26,10 @@
     real(wp) :: current_x
     real(wp) :: sim_x_step, sim_y_step           ! Simulation grid steps
     integer :: nx_data, ny_data, data_i, data_j, iix, iiy
-    character(len=100), dimension(nFiles) :: fileNames
+    character(len=100), dimension(sys_size - 1) :: fileNames
     character(len=200) :: errmsg
     ! Arrays to store all data from files - read once, use many times
-    real(wp), dimension(xRows, yRows, nFiles) :: stored_values   ! Imported 2D Data
+    real(wp), dimension(xRows, yRows, sys_size - 1) :: stored_values   ! Imported 2D Data
     real(wp), dimension(nRows) :: x_coords, y_coords
     logical :: files_loaded = .false.
     real(wp) :: domain_xstart, domain_xend, domain_ystart, domain_yend
@@ -40,17 +38,6 @@
     character(len=20) :: zeros_part       ! For the trailing zeros part
     character(len=6), parameter :: zeros_default = "000000"  ! Default zeros (can be changed)
 
-    ! Generate file names dynamically in a loop
-    do f = 1, nFiles
-        ! Convert file number to string with proper formatting
-        if (f < 10) then
-            write (file_num_str, '(I1)') f  ! Single digit
-        else
-            write (file_num_str, '(I2)') f  ! Double digit
-            ! For more than 99 files, you might need to adjust this format
-        end if
-        fileNames(f) = trim(init_dir)//"prim."//trim(file_num_str)//".00."//zeros_default//".dat"
-    end do
     eps = 1e-9_wp
 #:enddef
 
@@ -103,13 +90,26 @@
         end if
 
     case (370)
+        ! Generate file names dynamically in a loop
+        do f = 1, sys_size - 1
+            ! Convert file number to string with proper formatting
+            if (f < 10) then
+                write (file_num_str, '(I1)') f  ! Single digit
+            else
+                write (file_num_str, '(I2)') f  ! Double digit
+                ! For more than 99 files, you might need to adjust this format
+            end if
+            fileNames(f) = trim(init_dir)//"prim."//trim(file_num_str)//".00."//zeros_default//".dat"
+        end do
+
         if (.not. files_loaded) then
             ! Print status message
             index_x = i
             index_y = j
             open (newunit=unit, file=trim(fileNames(1)), status='old', action='read', iostat=ios)
-            if (ios /= 0) then
-                return
+            if (ios /= 0 .and. proc_rank == 0) then
+                write (errmsg, '(A,A)') "Error opening file: ", trim(fileNames(f))
+                call s_mpi_abort(trim(errmsg))
             end if
 
             iter = 0
@@ -126,10 +126,11 @@
             end do
             close (unit)
             !Now read only the values from remaining files (skip x,y columns)
-            do f = 2, nFiles
+            do f = 2, sys_size - 1
                 open (newunit=unit, file=trim(fileNames(f)), status='old', action='read', iostat=ios)
-                if (ios /= 0) then
-                    cycle
+                if (ios /= 0 .and. proc_rank == 0) then
+                    print *, "Error opening file: ", trim(fileNames(f))
+                    cycle  ! Skip this file on error
                 end if
                 do iix = 1, xRows
                     do iiy = 1, yRows
@@ -168,7 +169,7 @@
         data_i = i + 1 + global_offset_x - index_x  ! x-direction index in data grid
         data_j = j + 1 + global_offset_y - index_y  ! y-direction index in data grid
 
-        do f = 1, nFiles
+        do f = 1, sys_size - 1
             if (f >= momxe) then
                 jump = 1
             else