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196 backward euler fortran (#210)
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* Added Backward Euler definitions to musics/mich.hpp.

* Added Backward Euler definitions micm.cpp.

* Added unit test BackwardEulerStandardOrder.

* Added unit test BackwardEulerVectorOrder.

* Save.

* Added Backward Euler fortran API.

* Added accuracy parameter for ASSERT_NEAR.

* Reduced time_step for Backward Euler.

* Added time_step and test_accuracy arguments to test_mulitple_grid_cells.

* Removed some prints from test_micm_api.F90.

---------

Co-authored-by: David Fillmore <[email protected]>
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@dwfncar @davidfillmore
dwfncar and davidfillmore authored Sep 12, 2024
1 parent 6facecc commit a316b0d
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Showing 2 changed files with 63 additions and 16 deletions.
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
71 changes: 58 additions & 13 deletions fortran/test/fetch_content_integration/test_micm_api.F90
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Original file line number Diff line number Diff line change
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 @@ -167,14 +169,15 @@ 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 @@ -195,8 +198,6 @@ subroutine test_multiple_grid_cells(micm, NUM_GRID_CELLS)
real :: temp
type(ArrheniusReaction) :: r1, r2

time_step = 200

A_index = micm%species_ordering%index( "A", error )
ASSERT( error%is_success() )
B_index = micm%species_ordering%index( "B", error )
Expand Down Expand Up @@ -267,12 +268,12 @@ 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)
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 @@ -283,11 +284,14 @@ 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 )
call test_multiple_grid_cells( micm, num_grid_cells, time_step, test_accuracy )

deallocate( micm )

Expand All @@ -299,14 +303,55 @@ 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 )
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() )

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() )

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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