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Size species arrays from the generated mechanism on AMD #1918

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1 change: 1 addition & 0 deletions cmake/Fypp.cmake
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Expand Up @@ -114,6 +114,7 @@ macro(HANDLE_SOURCES target useCommon)
-I "${${target}_DIR}/include"
-I "${common_DIR}/include"
-I "${common_DIR}"
-I "${common_DIR}/include/defaults"
-D MFC_${CMAKE_Fortran_COMPILER_ID}
-D MFC_${${target}_UPPER}
-D MFC_COMPILER="${CMAKE_Fortran_COMPILER_ID}"
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4 changes: 4 additions & 0 deletions src/common/include/defaults/thermochem.fpp
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@@ -0,0 +1,4 @@
! Default for Fypp runs outside the toolchain (e.g. documentation). Searched last, so the
! build/include/<target>/thermochem.fpp the toolchain writes from m_thermochem takes precedence.
#:set NUM_SPECIES = 1
#:set CHEMISTRY = False
12 changes: 6 additions & 6 deletions src/common/include/shared_parallel_macros.fpp
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Expand Up @@ -8,12 +8,12 @@
#:set USING_CCE = (MFC_COMPILER == CCE_COMPILER_ID)
#:set USING_AMD = (MFC_COMPILER == AMD_COMPILER_ID)

#! Fallback extents the USING_AMD guards substitute for device-global array bounds when case
#! optimization is off. They are not independent: sys_size counts the species, so AMD_SYS_SIZE_MAX
#! must cover 3*num_fluids + num_vels + 1 + AMD_NUM_SPECIES_MAX. Keep them here rather than as
#! literals at each declaration, so raising one cannot silently outgrow the other.
#:set AMD_NUM_SPECIES_MAX = 60
#:set AMD_SYS_SIZE_MAX = 70
#! NUM_SPECIES (m_thermochem's species count) and CHEMISTRY, written per build by the toolchain.
#:include 'thermochem.fpp'

#! Fallback extent the USING_AMD guards substitute for sys_size arrays when case optimization is off.
#! Chemistry pins num_fluids to 1, leaving at most 10 flow variables beside the species.
#:set AMD_SYS_SIZE_MAX = 10 + NUM_SPECIES if CHEMISTRY else 70

#:def ASSERT_LIST(data, datatype)
#:assert data is not None
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9 changes: 1 addition & 8 deletions src/common/m_checker_common.fpp
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Expand Up @@ -54,14 +54,7 @@ contains
#:if not MFC_CASE_OPTIMIZATION
@:PROHIBIT(num_fluids > 3, "num_fluids <= 3 for AMDFLang when Case optimization is off")
@:PROHIBIT((bubbles_euler .or. bubbles_lagrange) .and. nb > 3, "nb <= 3 for AMDFLang when Case optimization is off")
@:PROHIBIT(chemistry .and. num_species > ${AMD_NUM_SPECIES_MAX}$, &
& "num_species <= ${AMD_NUM_SPECIES_MAX}$ for AMDFLang when Case optimization is off")
! The sys_size bound is not independent of the one above it. Chemistry pins num_fluids to 1, so with
! num_vels <= 3 the species terminate sys_size at 2*1 + 3 + 1 + 60 = 66 for five equations and
! 3*1 + 3 + 1 + 60 = 67 for six; 70 covers both with room, and hypoelastic stresses would add up to six
! more. It had no check of its own while the species cap was ten, because sys_size could not then reach
! the dimension(20) the guard gives every sys_size array; HLLC's star states have no other bound, so
! raising one cap without the other overruns them with nothing to say so.
! HLLC's star states and the CBC L vectors have no other bound.
@:PROHIBIT(sys_size > ${AMD_SYS_SIZE_MAX}$, &
& "sys_size <= ${AMD_SYS_SIZE_MAX}$ for AMDFLang when Case optimization is off")
#:endif
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58 changes: 19 additions & 39 deletions src/common/m_chemistry.fpp
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Expand Up @@ -114,14 +114,8 @@ contains
integer :: eqn
real(wp) :: T
real(wp) :: rho, omega_m

#:if not MFC_CASE_OPTIMIZATION and USING_AMD
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: Ys
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: omega
#:else
real(wp), dimension(num_species) :: Ys
real(wp), dimension(num_species) :: omega
#:endif
real(wp), dimension(${NUM_SPECIES}$) :: Ys
real(wp), dimension(${NUM_SPECIES}$) :: omega

$:GPU_PARALLEL_LOOP(collapse=3, private='[Ys, omega, eqn, T, rho, omega_m]', copyin='[bounds]')
do z = bounds(3)%beg, bounds(3)%end
Expand Down Expand Up @@ -172,13 +166,8 @@ contains
! stiff_target: fractional net composition change per sub-step targeted when sizing the adaptive
! nsub. An uncalibrated engineering default -- alpha-QSS is unconditionally stable, so it trades
! accuracy for cost (never stability), and the cost is bounded by reaction_substeps_max.
real(wp), parameter :: stiff_target = 0.5_wp

#:if not MFC_CASE_OPTIMIZATION and USING_AMD
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: Ys, cdot, ddot, y0, prod0, Lloss, alp
#:else
real(wp), dimension(num_species) :: Ys, cdot, ddot, y0, prod0, Lloss, alp
#:endif
real(wp), parameter :: stiff_target = 0.5_wp
real(wp), dimension(${NUM_SPECIES}$) :: Ys, cdot, ddot, y0, prod0, Lloss, alp

if (chem_params%adap_substeps) then
! Pass 1: per-rank local stiffness probe -> adapt nsub for this step, no MPI. Each rank
Expand Down Expand Up @@ -320,31 +309,22 @@ contains
!> Compute species mass diffusion fluxes at cell interfaces using mixture-averaged diffusivities.
subroutine s_compute_chemistry_diffusion_flux(idir, q_prim_qp, flux_src_vf, irx, iry, irz, q_T_sf)

type(scalar_field), dimension(sys_size), intent(in) :: q_prim_qp
type(scalar_field), dimension(sys_size), intent(in) :: q_prim_qp
type(scalar_field), dimension(sys_size), intent(inout) :: flux_src_vf
type(int_bounds_info), intent(in) :: irx, iry, irz
integer, intent(in) :: idir
type(scalar_field), intent(in) :: q_T_sf

#:if not MFC_CASE_OPTIMIZATION and USING_AMD
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: Xs_L, Xs_R, Xs_cell, Ys_L, Ys_R, Ys_cell
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: mass_diffusivities_mixavg1, mass_diffusivities_mixavg2
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: mass_diffusivities_mixavg_Cell, dXk_dxi, h_l, h_r, h_k
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: Mass_Diffu_Flux, dYk_dxi
#:else
real(wp), dimension(num_species) :: Xs_L, Xs_R, Xs_cell, Ys_L, Ys_R, Ys_cell
real(wp), dimension(num_species) :: mass_diffusivities_mixavg1, mass_diffusivities_mixavg2
real(wp), dimension(num_species) :: mass_diffusivities_mixavg_Cell, dXk_dxi, h_l, h_r, h_k
real(wp), dimension(num_species) :: Mass_Diffu_Flux, dYk_dxi
#:endif

real(wp) :: Mass_Diffu_Energy
real(wp) :: MW_L, MW_R, MW_cell, T_L, T_R, P_L, P_R, rho_L, rho_R, rho_cell, rho_Vic
real(wp) :: lambda_L, lambda_R, lambda_Cell, dT_dxi, grid_spacing
real(wp) :: Cp_L, Cp_R
real(wp) :: diffusivity_L, diffusivity_R, diffusivity_cell
real(wp) :: hmix_L, hmix_R, dh_dxi
integer :: x, y, z, i, n, eqn
type(int_bounds_info), intent(in) :: irx, iry, irz
integer, intent(in) :: idir
type(scalar_field), intent(in) :: q_T_sf
real(wp), dimension(${NUM_SPECIES}$) :: Xs_L, Xs_R, Xs_cell, Ys_L, Ys_R, Ys_cell
real(wp), dimension(${NUM_SPECIES}$) :: mass_diffusivities_mixavg1, mass_diffusivities_mixavg2
real(wp), dimension(${NUM_SPECIES}$) :: mass_diffusivities_mixavg_Cell, dXk_dxi, h_l, h_r, h_k
real(wp), dimension(${NUM_SPECIES}$) :: Mass_Diffu_Flux, dYk_dxi
real(wp) :: Mass_Diffu_Energy
real(wp) :: MW_L, MW_R, MW_cell, T_L, T_R, P_L, P_R, rho_L, rho_R, rho_cell, rho_Vic
real(wp) :: lambda_L, lambda_R, lambda_Cell, dT_dxi, grid_spacing
real(wp) :: Cp_L, Cp_R
real(wp) :: diffusivity_L, diffusivity_R, diffusivity_cell
real(wp) :: hmix_L, hmix_R, dh_dxi
integer :: x, y, z, i, n, eqn
integer, dimension(3) :: offsets

isc1 = irx; isc2 = iry; isc3 = irz
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42 changes: 20 additions & 22 deletions src/common/m_variables_conversion.fpp
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Expand Up @@ -393,12 +393,11 @@ contains
#:if USING_AMD and not MFC_CASE_OPTIMIZATION
real(wp), dimension(3) :: alpha_K, alpha_rho_K
real(wp), dimension(3) :: nRtmp
real(wp) :: rhoYks(1:${AMD_NUM_SPECIES_MAX}$)
#:else
real(wp), dimension(num_fluids) :: alpha_K, alpha_rho_K
real(wp), dimension(nb) :: nRtmp
real(wp) :: rhoYks(1:num_species)
#:endif
real(wp) :: rhoYks(1:${NUM_SPECIES}$)
real(wp), dimension(2) :: Re_K
real(wp) :: rho_K, gamma_K, pi_inf_K, qv_K, dyn_pres_K
real(wp) :: vftmp, nbub_sc
Expand Down Expand Up @@ -948,28 +947,27 @@ contains
! functions, the shear and volume Reynolds numbers and the Weber numbers

#:if not MFC_CASE_OPTIMIZATION and USING_AMD
real(wp), dimension(3) :: alpha_rho_K
real(wp), dimension(3) :: alpha_K
real(wp), dimension(3) :: vel_K
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: Y_K
real(wp), dimension(3) :: alpha_rho_K
real(wp), dimension(3) :: alpha_K
real(wp), dimension(3) :: vel_K
#:else
real(wp), dimension(num_fluids) :: alpha_rho_K
real(wp), dimension(num_fluids) :: alpha_K
real(wp), dimension(num_vels) :: vel_K
real(wp), dimension(num_species) :: Y_K
real(wp), dimension(num_fluids) :: alpha_rho_K
real(wp), dimension(num_fluids) :: alpha_K
real(wp), dimension(num_vels) :: vel_K
#:endif
real(wp) :: rho_K
real(wp) :: vel_K_sum
real(wp) :: pres_K
real(wp) :: E_K
real(wp) :: gamma_K
real(wp) :: pi_inf_K
real(wp) :: qv_K
real(wp), dimension(2) :: Re_K
real(wp) :: G_K
real(wp) :: blkmod1_K, blkmod2_K, K_K
real(wp) :: T_K, mix_mol_weight, R_gas
integer :: i, j, k, l !< Generic loop iterators
real(wp), dimension(${NUM_SPECIES}$) :: Y_K
real(wp) :: rho_K
real(wp) :: vel_K_sum
real(wp) :: pres_K
real(wp) :: E_K
real(wp) :: gamma_K
real(wp) :: pi_inf_K
real(wp) :: qv_K
real(wp), dimension(2) :: Re_K
real(wp) :: G_K
real(wp) :: blkmod1_K, blkmod2_K, K_K
real(wp) :: T_K, mix_mol_weight, R_gas
integer :: i, j, k, l !< Generic loop iterators

is1b = is1%beg; is1e = is1%end
is2b = is2%beg; is2e = is2%end
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55 changes: 27 additions & 28 deletions src/simulation/m_cbc.fpp
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Expand Up @@ -483,36 +483,35 @@ contains
real(wp), dimension(sys_size) :: L
#:endif
#:if not MFC_CASE_OPTIMIZATION and USING_AMD
real(wp), dimension(3) :: alpha_rho, dalpha_rho_ds, mf
real(wp), dimension(3) :: vel, dvel_ds
real(wp), dimension(3) :: adv_local, dadv_ds
real(wp), dimension(3) :: dadv_dt
real(wp), dimension(3) :: dvel_dt
real(wp), dimension(3) :: dalpha_rho_dt
real(wp), dimension(${AMD_NUM_SPECIES_MAX}$) :: Ys, h_k, dYs_dt, dYs_ds, Xs, Gamma_i, Cp_i
real(wp), dimension(3) :: alpha_rho, dalpha_rho_ds, mf
real(wp), dimension(3) :: vel, dvel_ds
real(wp), dimension(3) :: adv_local, dadv_ds
real(wp), dimension(3) :: dadv_dt
real(wp), dimension(3) :: dvel_dt
real(wp), dimension(3) :: dalpha_rho_dt
#:else
real(wp), dimension(num_fluids) :: alpha_rho, dalpha_rho_ds, mf
real(wp), dimension(num_vels) :: vel, dvel_ds
real(wp), dimension(num_fluids) :: adv_local, dadv_ds
real(wp), dimension(num_fluids) :: dadv_dt
real(wp), dimension(num_dims) :: dvel_dt
real(wp), dimension(num_fluids) :: dalpha_rho_dt
real(wp), dimension(num_species) :: Ys, h_k, dYs_dt, dYs_ds, Xs, Gamma_i, Cp_i
real(wp), dimension(num_fluids) :: alpha_rho, dalpha_rho_ds, mf
real(wp), dimension(num_vels) :: vel, dvel_ds
real(wp), dimension(num_fluids) :: adv_local, dadv_ds
real(wp), dimension(num_fluids) :: dadv_dt
real(wp), dimension(num_dims) :: dvel_dt
real(wp), dimension(num_fluids) :: dalpha_rho_dt
#:endif
real(wp), dimension(2) :: Re_cbc
real(wp), dimension(3) :: lambda
real(wp) :: rho !< Cell averaged density
real(wp) :: pres !< Cell averaged pressure
real(wp) :: E !< Cell averaged energy
real(wp) :: gamma !< Cell averaged specific heat ratio
real(wp) :: pi_inf !< Cell averaged liquid stiffness
real(wp) :: qv !< Cell averaged fluid reference energy
real(wp) :: c
real(wp) :: Ma
real(wp) :: T, sum_Enthalpies
real(wp) :: Cv, Cp, e_mix, Mw, R_gas
real(wp) :: vel_K_sum, vel_dv_dt_sum
integer :: i, j, k, r !< Generic loop iterators
real(wp), dimension(${NUM_SPECIES}$) :: Ys, h_k, dYs_dt, dYs_ds, Xs, Gamma_i, Cp_i
real(wp), dimension(2) :: Re_cbc
real(wp), dimension(3) :: lambda
real(wp) :: rho !< Cell averaged density
real(wp) :: pres !< Cell averaged pressure
real(wp) :: E !< Cell averaged energy
real(wp) :: gamma !< Cell averaged specific heat ratio
real(wp) :: pi_inf !< Cell averaged liquid stiffness
real(wp) :: qv !< Cell averaged fluid reference energy
real(wp) :: c
real(wp) :: Ma
real(wp) :: T, sum_Enthalpies
real(wp) :: Cv, Cp, e_mix, Mw, R_gas
real(wp) :: vel_K_sum, vel_dv_dt_sum
integer :: i, j, k, r !< Generic loop iterators
! Reshaping of inputted data and association of the FD and PI coefficients, or CBC coefficients, respectively, hinging on
! selected CBC coordinate direction

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