memory test for evoatmosphere

.github/workflows/test.yaml

@@ -44,6 +44,7 @@ jobs:
       run: |
         valgrind --error-exitcode=1 --leak-check=full ./tests/memtest
         valgrind --error-exitcode=1 --leak-check=full ./tests/testevo
+        valgrind --error-exitcode=1 --leak-check=full ./tests/memtest_evo
 
     - name: build python
       run: python -m pip install . -v

tests/CMakeLists.txt

@@ -1,5 +1,5 @@
 
-set(PHOTOCHEM_TESTS testrun testevo memtest)
+set(PHOTOCHEM_TESTS testrun testevo memtest memtest_evo)
 
 if (BUILD_EXECUTABLES)
   foreach(PHOTOCHEM_TEST ${PHOTOCHEM_TESTS})

tests/memtest_evo.f90

@@ -0,0 +1,225 @@
+
+program memtest_evo
+  use photochem, only: EvoAtmosphere, dp
+  implicit none
+
+  type(EvoAtmosphere) :: pcs
+
+  call test_twoinitializations(pcs)
+  call test_out2atmosphere(pcs)
+  call test_gas_fluxes(pcs)
+  call test_set_lower_bc(pcs)
+  call test_set_upper_bc(pcs)
+  call test_production_and_loss(pcs)
+  call test_set_temperature(pcs)
+  call test_update_vertical_grid(pcs)
+  call test_press_temp_edd(pcs)
+  call test_autodiff(pcs)
+
+contains
+
+  subroutine test_twoinitializations(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+
+    character(:), allocatable :: err
+    real(dp) :: tn
+
+    pc = EvoAtmosphere("../photochem/data/reaction_mechanisms/zahnle_earth.yaml", &
+                    "..//tests/testevo_settings2.yaml", &
+                    "../templates/ModernEarth/Sun_now.txt", &
+                    "../templates/ModernEarth/atmosphere_ModernEarth.txt", &
+                    "../photochem/data", &
+                    err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    call pc%initialize_stepper(pc%var%usol_init, err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    tn = pc%step(err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    pc = EvoAtmosphere("../photochem/data/reaction_mechanisms/zahnle_earth.yaml", &
+                    "../tests/testevo_settings2.yaml", &
+                    "../templates/ModernEarth/Sun_now.txt", &
+                    "../templates/ModernEarth/atmosphere_ModernEarth.txt", &
+                    "../photochem/data", &
+                    err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    call pc%initialize_stepper(pc%var%usol_init, err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    tn = pc%step(err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    call pc%destroy_stepper(err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_out2atmosphere(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    call pc%out2atmosphere_txt("test.txt", .true., .false., err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_gas_fluxes(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    real(dp), allocatable :: surf_fluxes(:)
+    real(dp), allocatable :: top_fluxes(:)
+
+    allocate(surf_fluxes(pc%dat%nq))
+    allocate(top_fluxes(pc%dat%nq))
+
+    call pc%gas_fluxes(surf_fluxes, top_fluxes, err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_set_lower_bc(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    call pc%set_lower_bc("HCN","vdep",vdep=1.0e-3_dp, err=err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_set_upper_bc(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    call pc%set_upper_bc("HCN","veff",veff=0.0_dp, err=err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_production_and_loss(pc)
+    use photochem, only: ProductionLoss
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    type(ProductionLoss) :: pl
+
+    call pc%production_and_loss("HCN", pc%wrk%usol, pl, err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_set_temperature(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    real(dp), allocatable :: temperature(:)
+
+    allocate(temperature(pc%var%nz))
+    temperature = 300.0_dp
+
+    call pc%set_temperature(temperature, err=err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_update_vertical_grid(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    call pc%update_vertical_grid(TOA_pressure=0.01_dp, err=err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_press_temp_edd(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+    character(:), allocatable :: err
+
+    call pc%set_press_temp_edd(pc%wrk%pressure, pc%var%temperature, pc%var%edd, 0.22_dp*1e6_dp, err=err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+  subroutine test_autodiff(pc)
+    type(EvoAtmosphere), intent(inout) :: pc
+
+    character(:), allocatable :: err
+    real(dp) :: tn
+
+    pc%var%autodiff = .true.
+    pc%var%atol = 1.0e-20_dp
+
+    call pc%initialize_stepper(pc%var%usol_init, err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    tn = pc%step(err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+    call pc%destroy_stepper(err)
+    if (allocated(err)) then
+      print*,trim(err)
+      stop 1
+    endif
+
+  end subroutine
+
+
+
+end program
+
+
+