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196 backward euler fortran #210

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merged 12 commits into from
Sep 12, 2024
Merged

196 backward euler fortran #210

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9fb15b6
Added Backward Euler definitions to musics/mich.hpp.
dwfncar Aug 17, 2024
33e55a4
Added Backward Euler definitions micm.cpp.
dwfncar Aug 17, 2024
dea6f4d
Added unit test BackwardEulerStandardOrder.
dwfncar Aug 17, 2024
5f08aec
Added unit test BackwardEulerVectorOrder.
dwfncar Aug 17, 2024
c6fcf7a
Save.
dwfncar Aug 18, 2024
efa5d8e
Added Backward Euler fortran API.
dwfncar Aug 18, 2024
df2a1e3
Merged main.
davidfillmore Aug 26, 2024
414a14e
Added accuracy parameter for ASSERT_NEAR.
dwfncar Aug 27, 2024
fbd9581
Reduced time_step for Backward Euler.
dwfncar Aug 27, 2024
16bfed5
Added time_step and test_accuracy arguments to test_mulitple_grid_cells.
dwfncar Aug 27, 2024
e8b8c5e
Removed some prints from test_micm_api.F90.
dwfncar Sep 4, 2024
d891a9b
Merged main to 196-backward-euler-fortran.
dwfncar Sep 6, 2024
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8 changes: 5 additions & 3 deletions fortran/micm.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ module musica_micm
implicit none

public :: micm_t, solver_stats_t, get_micm_version
public :: Rosenbrock, RosenbrockStandardOrder
public :: Rosenbrock, RosenbrockStandardOrder, BackwardEuler, BackwardEulerStandardOrder
private

!> Wrapper for c solver stats
Expand All @@ -29,8 +29,10 @@ module musica_micm
! We could use Fortran 2023 enum type feature if Fortran 2023 is supported
! https://fortran-lang.discourse.group/t/enumerator-type-in-bind-c-derived-type-best-practice/5947/2
enum, bind(c)
enumerator :: Rosenbrock = 1
enumerator :: RosenbrockStandardOrder = 2
enumerator :: Rosenbrock = 1
enumerator :: RosenbrockStandardOrder = 2
enumerator :: BackwardEuler = 3
enumerator :: BackwardEulerStandardOrder = 4
end enum

interface
Expand Down
82 changes: 69 additions & 13 deletions fortran/test/fetch_content_integration/test_micm_api.F90
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Expand Up @@ -6,7 +6,7 @@ program test_micm_api
use, intrinsic :: iso_c_binding
use, intrinsic :: ieee_arithmetic
use musica_micm, only: micm_t, solver_stats_t, get_micm_version
use musica_micm, only: Rosenbrock, RosenbrockStandardOrder
use musica_micm, only: Rosenbrock, RosenbrockStandardOrder, BackwardEuler, BackwardEulerStandardOrder
use musica_util, only: assert, error_t, mapping_t, string_t, find_mapping_index

#include "micm/util/error.hpp"
Expand All @@ -29,6 +29,8 @@ program test_micm_api
call test_api()
call test_multiple_grid_cell_vector_Rosenbrock()
call test_multiple_grid_cell_standard_Rosenbrock()
call test_multiple_grid_cell_vector_BackwardEuler()
call test_multiple_grid_cell_standard_BackwardEuler()

contains

Expand Down Expand Up @@ -170,14 +172,15 @@ subroutine test_api()

end subroutine test_api

subroutine test_multiple_grid_cells(micm, NUM_GRID_CELLS)
subroutine test_multiple_grid_cells(micm, NUM_GRID_CELLS, time_step, test_accuracy)

type(micm_t), pointer, intent(inout) :: micm
integer, intent(in) :: NUM_GRID_CELLS
real(c_double), intent(in) :: time_step
real, intent(in) :: test_accuracy

integer, parameter :: NUM_SPECIES = 6
integer, parameter :: NUM_USER_DEFINED_REACTION_RATES = 2
real(c_double) :: time_step
real(c_double), target :: temperature(NUM_GRID_CELLS)
real(c_double), target :: pressure(NUM_GRID_CELLS)
real(c_double), target :: air_density(NUM_GRID_CELLS)
Expand All @@ -199,8 +202,6 @@ subroutine test_multiple_grid_cells(micm, NUM_GRID_CELLS)
real :: temp
type(ArrheniusReaction) :: r1, r2

time_step = 200

A_index = find_mapping_index( micm%species_ordering, "A", found )
ASSERT( found )
B_index = find_mapping_index( micm%species_ordering, "B", found )
Expand Down Expand Up @@ -271,12 +272,19 @@ subroutine test_multiple_grid_cells(micm, NUM_GRID_CELLS)
D = initial_D * exp( -k1 * time_step )
E = initial_D * (k1 / (k2 - k1)) * (exp(-k1 * time_step) - exp(-k2 * time_step))
F = initial_F + initial_D * (1.0 + (k1 * exp(-k2 * time_step) - k2 * exp(-k1 * time_step)) / (k2 - k1))
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+A_index), A, 5.0e-3)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+B_index), B, 5.0e-3)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+C_index), C, 5.0e-3)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+D_index), D, 5.0e-3)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+E_index), E, 5.0e-3)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+F_index), F, 5.0e-3)
print *, 'A', concentrations((i_cell-1)*NUM_SPECIES+A_index), A
print *, 'B', concentrations((i_cell-1)*NUM_SPECIES+B_index), B
print *, 'C', concentrations((i_cell-1)*NUM_SPECIES+C_index), C
print *, 'D', concentrations((i_cell-1)*NUM_SPECIES+D_index), D
print *, 'E', concentrations((i_cell-1)*NUM_SPECIES+E_index), E
print *, 'F', concentrations((i_cell-1)*NUM_SPECIES+F_index), F
print *
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please remove diagnostic output

ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+A_index), A, test_accuracy)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+B_index), B, test_accuracy)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+C_index), C, test_accuracy)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+D_index), D, test_accuracy)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+E_index), E, test_accuracy)
ASSERT_NEAR(concentrations((i_cell-1)*NUM_SPECIES+F_index), F, test_accuracy)
end do

end subroutine test_multiple_grid_cells
Expand All @@ -287,11 +295,15 @@ subroutine test_multiple_grid_cell_vector_Rosenbrock()
integer :: num_grid_cells
type(error_t) :: error

real(c_double), parameter :: time_step = 200
real, parameter :: test_accuracy = 5.0e-3

num_grid_cells = 3
micm => micm_t( "configs/analytical", Rosenbrock, num_grid_cells, error )
ASSERT( error%is_success() )

call test_multiple_grid_cells( micm, num_grid_cells )
print *, 'test_multiple_grid_cells vector Rosenbrock'
call test_multiple_grid_cells( micm, num_grid_cells, time_step, test_accuracy )

deallocate( micm )

Expand All @@ -303,14 +315,58 @@ subroutine test_multiple_grid_cell_standard_Rosenbrock()
integer :: num_grid_cells
type(error_t) :: error

real(c_double), parameter :: time_step = 200
real, parameter :: test_accuracy = 5.0e-3

num_grid_cells = 3
micm => micm_t( "configs/analytical", RosenbrockStandardOrder, num_grid_cells, error )
ASSERT( error%is_success() )

call test_multiple_grid_cells( micm, num_grid_cells )
print *, 'test_multiple_grid_cells standard Rosenbrock'
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please remove diagnostic output

call test_multiple_grid_cells( micm, num_grid_cells, time_step, test_accuracy )

deallocate( micm )

end subroutine test_multiple_grid_cell_standard_Rosenbrock

subroutine test_multiple_grid_cell_vector_BackwardEuler()

type(micm_t), pointer :: micm
integer :: num_grid_cells
type(error_t) :: error

real(c_double), parameter :: time_step = 10
real, parameter :: test_accuracy = 0.1

num_grid_cells = 3
micm => micm_t( "configs/analytical", BackwardEuler, num_grid_cells, error )
ASSERT( error%is_success() )

print *, 'test_multiple_grid_cells vector Backward Euler'
call test_multiple_grid_cells( micm, num_grid_cells, time_step, test_accuracy )

deallocate( micm )

end subroutine test_multiple_grid_cell_vector_BackwardEuler

subroutine test_multiple_grid_cell_standard_BackwardEuler()

type(micm_t), pointer :: micm
integer :: num_grid_cells
type(error_t) :: error

real(c_double), parameter :: time_step = 10
real, parameter :: test_accuracy = 0.1

num_grid_cells = 3
micm => micm_t( "configs/analytical", BackwardEulerStandardOrder, num_grid_cells, error )
ASSERT( error%is_success() )

print *, 'test_multiple_grid_cells standard Backward Euler'
call test_multiple_grid_cells( micm, num_grid_cells, time_step, test_accuracy )

deallocate( micm )

end subroutine test_multiple_grid_cell_standard_BackwardEuler

end program
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