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qmin changes: minimum constituent values for chemistry/aerosol consistent with CAM #367

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44 changes: 29 additions & 15 deletions test/test_schemes/initialize_constituents.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -24,15 +24,15 @@ subroutine initialize_constituents_register(constituents, errmsg, errcode)
integer :: num_variables
integer :: ierr
integer :: var_index
integer :: split_index
integer :: constituent_index
integer :: known_const_index
integer :: found_const_count
logical :: known_constituent
real(kind_phys) :: qmin_value
character(len=256) :: cnst_stdname
character(len=256) :: variable_name
character(len=512) :: alloc_err_msg
character(len=256), allocatable :: constituent_names(:)
character(len=256), allocatable :: const_diag_names(:)
character(len=65), parameter :: water_species_std_names(6) = &
(/'water_vapor_mixing_ratio_wrt_moist_air_and_condensed_water ', &
'cloud_liquid_water_mixing_ratio_wrt_moist_air_and_condensed_water', &
Expand Down Expand Up @@ -68,22 +68,14 @@ subroutine initialize_constituents_register(constituents, errmsg, errcode)
write(errmsg,*) 'Failed to allocate "constituent_names" in initialize_constituents_register: ', trim(alloc_err_msg)
return
end if
allocate(const_diag_names(num_variables), stat=ierr, errmsg=alloc_err_msg)
if (ierr /= 0) then
errcode = 1
write(errmsg,*) 'Failed to allocate "const_diag_names" in initialize_constituents_register: ', trim(alloc_err_msg)
return
end if

! Loop over all variables in the file and add each constituent to the
! dynamic constituent array
do var_index = 1, num_variables
ierr = pio_inq_varname(ncdata, var_index, variable_name)
known_constituent = .false.
split_index = index(variable_name, 'cnst_')
if (split_index > 0) then
if (index(variable_name, 'cnst_') > 0) then
constituent_index = constituent_index + 1
const_diag_names(constituent_index) = variable_name(split_index:)
! Replace with standard name if known, to avoid duplicates
if (found_const_count < size(water_species_std_names)) then
do known_const_index = 1, size(const_file_names)
Expand Down Expand Up @@ -117,7 +109,6 @@ subroutine initialize_constituents_register(constituents, errmsg, errcode)
vertical_dim = 'vertical_layer_dimension', &
min_value = 0.0_kind_phys, &
advected = .true., &
diag_name = const_diag_names(var_index), &
water_species = .true., &
mixing_ratio_type = 'wet', &
errcode = errcode, &
Expand All @@ -133,19 +124,42 @@ subroutine initialize_constituents_register(constituents, errmsg, errcode)
vertical_dim = 'vertical_layer_dimension', &
min_value = 0.0_kind_phys, &
advected = .true., &
diag_name = const_diag_names(var_index), &
mixing_ratio_type = 'wet', &
errcode = errcode, &
errmsg = errmsg)
else
! For chemistry species some special handling is necessary for qmin_value;
! this logic is replicated from chem_register in src/chemistry/mozart.
qmin_value = 0.0_kind_phys
cnst_stdname = trim(constituent_names(var_index))
! Special handling for specific chemical species
! Aerosol number density species
if (index(cnst_stdname, 'num_a') > 0) then
qmin_value = 1.e-5_kind_phys
else if (index(cnst_stdname, 'O3') > 0) then
qmin_value = 1.e-12_kind_phys
else if (index(cnst_stdname, 'CH4') > 0) then
qmin_value = 1.e-12_kind_phys
else if (index(cnst_stdname, 'N2O') > 0) then
qmin_value = 1.e-15_kind_phys
! CFCs
else if (index(cnst_stdname, 'CFC11') > 0 .or. &
index(cnst_stdname, 'CFC12') > 0 .or. &
index(cnst_stdname, 'cfc11') > 0 .or. &
index(cnst_stdname, 'cfc12') > 0) then
qmin_value = 1.e-20_kind_phys
end if
! Note: other chemistry species should be 1e-36 but we have no way
! of currently distinguishing between these and other non-chem
! constituents, so leaving as 0.0_kind_phys for now. (hplin, 11/20/25)

call constituents(var_index)%instantiate( &
std_name = constituent_names(var_index), &
long_name = constituent_names(var_index), &
units = 'kg kg-1', &
vertical_dim = 'vertical_layer_dimension', &
min_value = 0.0_kind_phys, &
min_value = qmin_value, &
advected = .true., &
diag_name = const_diag_names(var_index), &
errcode = errcode, &
errmsg = errmsg)
end if
Expand Down
44 changes: 44 additions & 0 deletions to_be_ccppized/ccpp_chem_utils.F90
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Original file line number Diff line number Diff line change
@@ -0,0 +1,44 @@
! Various utilities used in CAM-SIMA chemistry.
module ccpp_chem_utils

implicit none
private

public :: chem_constituent_qmin

contains

! Returns the minimum mixing ratio for a given constituent
! Used to set appropriate minimum value for various chemical species at register phase.
function chem_constituent_qmin(constituent_name) result(qmin)
use ccpp_kinds, only: kind_phys

use string_utils, only: to_lower

character(len=*), intent(in) :: constituent_name ! Name of the chemical constituent
real(kind_phys) :: qmin ! Minimum mixing ratio

character(len=len(constituent_name)) :: name_lower

! Convert to lowercase for case-insensitive comparison
name_lower = to_lower(constituent_name) ! impure

! Default minimum mixing ratio for chemistry species.
qmin = 1.e-36_kind_phys

if (index(name_lower, 'num_a') == 1) then
! Aerosol number density.
qmin = 1.e-5_kind_phys
else if (trim(name_lower) == 'o3') then
qmin = 1.e-12_kind_phys
else if (trim(name_lower) == 'ch4') then
qmin = 1.e-12_kind_phys
else if (trim(name_lower) == 'n2o') then
qmin = 1.e-15_kind_phys
else if (trim(name_lower) == 'cfc11' .or. trim(name_lower) == 'cfc12') then
qmin = 1.e-20_kind_phys
end if

end function chem_constituent_qmin

end module ccpp_chem_utils
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