From 26f8438c78e44661fe49153f68c07592c11d53d5 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 8 Jun 2025 15:06:41 -0400 Subject: [PATCH 01/43] Diffusion Fluxes --- src/common/m_chemistry.fpp | 150 ++++++++++++++++++++++++++++++++++++- 1 file changed, 149 insertions(+), 1 deletion(-) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index d61c42b1af..feecc643f2 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -9,13 +9,19 @@ module m_chemistry use m_thermochem, only: & + num_species, molecular_weights, get_temperature, get_net_production_rates, & - gas_constant, get_mixture_molecular_weight + get_mole_fractions, get_species_binary_mass_diffusivities, & + get_species_mass_diffusivities_mixavg, gas_constant, get_mixture_molecular_weight, & + get_mixture_energy_mass,get_mixture_thermal_conductivity_mixavg,get_species_enthalpies_rt use m_global_parameters implicit none + type(int_bounds_info):: isc1, isc2, isc3 + !$acc declare create(isc1, isc2, isc3) + contains subroutine s_compute_q_T_sf(q_T_sf, q_cons_vf, bounds) @@ -130,4 +136,146 @@ contains end subroutine s_compute_chemistry_reaction_flux + subroutine s_compute_chemistry_diffusion_flux(idir, q_prim_qp, flux_src_vf, irx, iry, irz) + + type (scalar_field), dimension(sys_size), intent(in) :: q_prim_qp + type (scalar_field), dimension(sys_size), intent(inout) :: flux_src_vf + type(int_bounds_info), intent(in) :: irx, iry, irz + + integer, intent(in) :: idir + + real(wp), dimension(num_species) :: Xs_L, Xs_R, Xs_cell, Ys_L, Ys_R, Ys_cell + real(wp), dimension(num_species) :: mass_diffusivities_mixavg1, mass_diffusivities_mixavg2 + real(wp), dimension(num_species) :: mass_diffusivities_mixavg_Cell, dXk_dxi, h_l, h_r, h_k + real(wp), dimension(num_species) :: Mass_Diffu_Flux + real(wp) :: Mass_Diffu_Energy + real(wp) :: MW_L, MW_R, MW_cell, Rgas_L, Rgas_R, T_L, T_R, P_L, P_R, rho_L, rho_R, rho_cell, rho_Vic + real(wp) :: lamda_L, lamda_R, lamda_Cell, dT_dxi, grid_spacing + + integer :: x, y, z, i, n, eqn + integer, dimension(3) :: offsets + real(wp), dimension(3), pointer :: grid_coords(:) + + isc1=irx;isc2=iry;isc3=irz + + !$acc update device(isc1, isc2, isc3) + + if (chemistry) then + ! Set offsets based on direction using array indexing + offsets = 0 + offsets(idir) = 1 + + !$acc parallel loop collapse(3) gang vector default(present) & + !$acc private(Ys_L,Ys_R,Ys_cell,Xs_L,Xs_R,mass_diffusivities_mixavg1,mass_diffusivities_mixavg2,mass_diffusivities_mixavg_Cell,h_l,h_r,Xs_cell,h_k,dXk_dxi,Mass_Diffu_Flux,grid_spacing) + do z = isc3%beg, isc3%end + do y = isc2%beg, isc2%end + do x = isc1%beg, isc1%end + ! Calculate grid spacing using direction-based indexing + select case (idir) + case (1) + grid_spacing = x_cc(x + 1) - x_cc(x) + case (2) + grid_spacing = y_cc(y + 1) - y_cc(y) + case (3) + grid_spacing = z_cc(z + 1) - z_cc(z) + end select + + ! Extract species mass fractions + !$acc loop seq + do i = chemxb, chemxe + Ys_L(i - chemxb + 1) = q_prim_qp(i)%sf(x, y, z) + Ys_R(i - chemxb + 1) = q_prim_qp(i)%sf(x + offsets(1), y + offsets(2), z + offsets(3)) + Ys_cell(i - chemxb + 1) = 0.5_wp*(Ys_L(i - chemxb + 1) + Ys_R(i - chemxb + 1)) + end do + + ! Calculate molecular weights and mole fractions + call get_mixture_molecular_weight(Ys_L, MW_L) + call get_mixture_molecular_weight(Ys_R, MW_R) + MW_cell = 0.5_wp*(MW_L + MW_R) + + call get_mole_fractions(MW_L, Ys_L, Xs_L) + call get_mole_fractions(MW_R, Ys_R, Xs_R) + + ! Calculate gas constants and thermodynamic properties + Rgas_L = gas_constant / MW_L + Rgas_R = gas_constant / MW_R + + P_L = q_prim_qp(E_idx)%sf(x, y, z) + P_R = q_prim_qp(E_idx)%sf(x + offsets(1), y + offsets(2), z + offsets(3)) + + rho_L = q_prim_qp(1)%sf(x, y, z) + rho_R = q_prim_qp(1)%sf(x + offsets(1), y + offsets(2), z + offsets(3)) + + T_L = P_L/rho_L/Rgas_L + T_R = P_R/rho_R/Rgas_R + + rho_cell = 0.5_wp*(rho_L + rho_R) + dT_dxi = (T_R - T_L)/grid_spacing + + ! Get transport properties + call get_species_mass_diffusivities_mixavg(P_L, T_L, Ys_L, mass_diffusivities_mixavg1) + call get_species_mass_diffusivities_mixavg(P_R, T_R, Ys_R, mass_diffusivities_mixavg2) + + call get_mixture_thermal_conductivity_mixavg(T_L, Ys_L, lamda_L) + call get_mixture_thermal_conductivity_mixavg(T_R, Ys_R, lamda_R) + + call get_species_enthalpies_rt(T_L, h_l) + call get_species_enthalpies_rt(T_R, h_r) + + ! Calculate species properties and gradients + !$acc loop seq + do i = chemxb, chemxe + h_l(i - chemxb + 1) = h_l(i - chemxb + 1)*gas_constant*T_L/molecular_weights(i - chemxb + 1) + h_r(i - chemxb + 1) = h_r(i - chemxb + 1)*gas_constant*T_R/molecular_weights(i - chemxb + 1) + Xs_cell(i - chemxb + 1) = 0.5_wp*(Xs_L(i - chemxb + 1) + Xs_R(i - chemxb + 1)) + h_k(i - chemxb + 1) = 0.5_wp*(h_l(i - chemxb + 1) + h_r(i - chemxb + 1)) + dXk_dxi(i - chemxb + 1) = (Xs_R(i - chemxb + 1) - Xs_L(i - chemxb + 1))/grid_spacing + end do + + ! Calculate mixture-averaged diffusivities + !$acc loop seq + do i = chemxb, chemxe + mass_diffusivities_mixavg_Cell(i - chemxb + 1) = & + (mass_diffusivities_mixavg2(i - chemxb + 1) + mass_diffusivities_mixavg1(i - chemxb + 1)) / & + 2.0_wp * (1.0_wp - Xs_cell(i - chemxb + 1))/(1.0_wp - Ys_cell(i - chemxb + 1)) + end do + + lamda_Cell = 0.5_wp*(lamda_R + lamda_L) + + ! Calculate mass diffusion fluxes + rho_Vic = 0.0_wp + Mass_Diffu_Energy = 0.0_wp + + !$acc loop seq + do eqn = chemxb, chemxe + Mass_Diffu_Flux(eqn - chemxb + 1) = rho_cell * mass_diffusivities_mixavg_Cell(eqn - chemxb + 1) * & + molecular_weights(eqn - chemxb + 1) / MW_cell * dXk_dxi(eqn - chemxb + 1) + rho_Vic = rho_Vic + Mass_Diffu_Flux(eqn - chemxb + 1) + Mass_Diffu_Energy = Mass_Diffu_Energy + h_k(eqn - chemxb + 1) * Mass_Diffu_Flux(eqn - chemxb + 1) + end do + + ! Apply corrections for mass conservation + !$acc loop seq + do eqn = chemxb, chemxe + Mass_Diffu_Energy = Mass_Diffu_Energy - h_k(eqn - chemxb + 1)*Ys_cell(eqn - chemxb + 1)*rho_Vic + Mass_Diffu_Flux(eqn - chemxb + 1) = Mass_Diffu_Flux(eqn - chemxb + 1) - rho_Vic*Ys_cell(eqn - chemxb + 1) + end do + + ! Add thermal conduction contribution + Mass_Diffu_Energy = lamda_Cell*dT_dxi + Mass_Diffu_Energy + + ! Update flux arrays + flux_src_vf(E_idx)%sf(x, y, z) = flux_src_vf(E_idx)%sf(x, y, z) - Mass_Diffu_Energy + + !$acc loop seq + do eqn = chemxb, chemxe + flux_src_vf(eqn)%sf(x, y, z) = flux_src_vf(eqn)%sf(x, y, z) - Mass_diffu_Flux(eqn - chemxb + 1) + end do + end do + end do + end do + end if + + end subroutine s_compute_chemistry_diffusion_flux + end module m_chemistry From 73211952b538731ba9a056e8234473a13e43682f Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 9 Jun 2025 17:49:36 -0400 Subject: [PATCH 02/43] Debugging --- examples/1D_MultiCompo_Diffu/case.py | 116 +++++++++++++++++++++++ examples/1D_MultiCompo_Diffu/grigri.yaml | 106 +++++++++++++++++++++ src/common/m_chemistry.fpp | 2 +- src/simulation/m_data_output.fpp | 9 ++ src/simulation/m_rhs.fpp | 109 ++++++++++++++++++--- src/simulation/m_riemann_solvers.fpp | 66 ++++++++++++- 6 files changed, 391 insertions(+), 17 deletions(-) create mode 100644 examples/1D_MultiCompo_Diffu/case.py create mode 100644 examples/1D_MultiCompo_Diffu/grigri.yaml diff --git a/examples/1D_MultiCompo_Diffu/case.py b/examples/1D_MultiCompo_Diffu/case.py new file mode 100644 index 0000000000..ed4dd71101 --- /dev/null +++ b/examples/1D_MultiCompo_Diffu/case.py @@ -0,0 +1,116 @@ +#!/usr/bin/env python3 + +# References: +# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube + +import json +import argparse +import math + +import cantera as ct + +parser = argparse.ArgumentParser( + prog="1D_MultiCompo_Diffu", + formatter_class=argparse.ArgumentDefaultsHelpFormatter) + +parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", + help="MFC's toolchain's internal state.") +parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", + help="Disable chemistry.") + +args = parser.parse_args() + +ctfile = 'grigri.yaml' +sol_L = ct.Solution(ctfile) +sol_L.TPX = 300, 8000, 'O2:2,N2:2,H2O:5' + +L = 0.05 +Nx = 100 +dx = L / Nx +dt = 0.3e-6 +Tend = 0.05 + +NT = int(Tend / dt) +SAVE_COUNT = 5000 +NS = 5000 +case = { + # Logistics ================================================================ + 'run_time_info' : 'T', + # ========================================================================== + + # Computational Domain Parameters ========================================== + 'x_domain%beg' : 0, + 'x_domain%end' : +L, + 'm' : Nx, + 'n' : 0, + 'p' : 0, + 'dt' : float(dt), + 't_step_start' : 0, + 't_step_stop' : NT, + 't_step_save' : NS, + 't_step_print' : NS, + 'parallel_io' : 'F', + # ========================================================================== + + # Simulation Algorithm Parameters ========================================== + 'model_eqns' : 2, + 'num_fluids' : 1, + 'num_patches' : 1, + 'mpp_lim' : 'F', + 'mixture_err' : 'F', + 'time_stepper' : 3, + 'weno_order' : 5, + 'weno_eps' : 1E-16, + 'weno_avg' : 'F', + 'mapped_weno' : 'T', + 'mp_weno' : 'T', + 'riemann_solver' : 2, + 'wave_speeds' : 2, + 'avg_state' : 1, + 'bc_x%beg' :-1, + 'bc_x%end' :-1, + 'viscous' : 'F', + # ========================================================================== + + # Chemistry ================================================================ + 'chemistry' : 'T' if not args.chemistry else 'T', + 'chem_params%diffusion' : 'T', + 'chem_params%reactions' : 'F', + # ========================================================================== + + # Formatted Database Files Structure Parameters ============================ + 'format' : 1, + 'precision' : 2, + 'prim_vars_wrt' : 'T', + "chem_wrt_T" : "T", + # ========================================================================== + + # ========================================================================== + 'patch_icpp(1)%geometry' : 1, + 'patch_icpp(1)%x_centroid' : L/2, + 'patch_icpp(1)%length_x' : L, + 'patch_icpp(1)%vel(1)' : '0', + 'patch_icpp(1)%pres' : 1.01325e5, + 'patch_icpp(1)%alpha(1)' : 1, + 'patch_icpp(1)%Y(1)' : '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142', + 'patch_icpp(1)%Y(2)' : '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1', + 'patch_icpp(1)%Y(3)' : '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0', + 'patch_icpp(1)%Y(4)' : '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758', + 'patch_icpp(1)%alpha_rho(1)' : '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', + # ========================================================================== + + # Fluids Physical Parameters =============================================== + 'fluid_pp(1)%gamma' : 1.0E+00/(1.9326E+00-1.0E+00), + 'fluid_pp(1)%pi_inf' : 0, + # ========================================================================== + + # Chemistry ================================================================ + 'cantera_file' : ctfile, + # ========================================================================== +} + +if args.chemistry: + for i in range(4): + case[f'chem_wrt_Y({i + 1})'] = 'T' +if __name__ == '__main__': + print(json.dumps(case)) diff --git a/examples/1D_MultiCompo_Diffu/grigri.yaml b/examples/1D_MultiCompo_Diffu/grigri.yaml new file mode 100644 index 0000000000..510b744a28 --- /dev/null +++ b/examples/1D_MultiCompo_Diffu/grigri.yaml @@ -0,0 +1,106 @@ +description: |- + GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format + See README30 file at anonymous FTP site unix.sri.com, directory gri; + WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or + through http://www.gri.org , under 'Basic Research', + for additional information, contacts, and disclaimer + Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html +generator: ck2yaml +input-files: [gri30.inp, gri30_thermo.dat, gri30_tran.dat] +cantera-version: 2.5.0 +date: Wed, 11 Dec 2019 16:59:02 -0500 + +units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} + +phases: +- name: gri30 + thermo: ideal-gas + elements: [O, H, C, N] + species: [O2, H2O, CH4, N2] + kinetics: gas + transport: mixture-averaged + state: {T: 300.0, P: 1 atm} + +species: +- name: O2 + composition: {O: 2} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, + -1063.94356, 3.65767573] + - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14, + -1088.45772, 5.45323129] + note: TPIS89 + transport: + model: gas + geometry: linear + well-depth: 107.4 + diameter: 3.458 + polarizability: 1.6 + rotational-relaxation: 3.8 +- name: H2O + composition: {H: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12, + -3.02937267e+04, -0.849032208] + - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14, + -3.00042971e+04, 4.9667701] + note: L8/89 + transport: + model: gas + geometry: nonlinear + well-depth: 572.4 + diameter: 2.605 + dipole: 1.844 + rotational-relaxation: 4.0 +- name: CH4 + composition: {C: 1, H: 4} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11, + -1.02466476e+04, -4.64130376] + - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13, + -9468.34459, 18.437318] + note: L8/88 + transport: + model: gas + geometry: nonlinear + well-depth: 141.4 + diameter: 3.746 + polarizability: 2.6 + rotational-relaxation: 13.0 +- name: N2 + composition: {N: 2} + thermo: + model: NASA7 + temperature-ranges: [300.0, 1000.0, 5000.0] + data: + - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, + -1020.8999, 3.950372] + - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, + -922.7977, 5.980528] + note: '121286' + transport: + model: gas + geometry: linear + well-depth: 97.53 + diameter: 3.621 + polarizability: 1.76 + rotational-relaxation: 4.0 + +reactions: +- equation: CH4 <=> CH4 # Reaction 1 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: N2 <=> N2 # Reaction 2 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: H2O <=> H2O # Reaction 3 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: O2 <=> O2 # Reaction 4 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index feecc643f2..96275bd1e6 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -162,7 +162,7 @@ contains if (chemistry) then ! Set offsets based on direction using array indexing - offsets = 0 + offsets(:) = 0 offsets(idir) = 1 !$acc parallel loop collapse(3) gang vector default(present) & diff --git a/src/simulation/m_data_output.fpp b/src/simulation/m_data_output.fpp index 5b174e6652..824b15282c 100644 --- a/src/simulation/m_data_output.fpp +++ b/src/simulation/m_data_output.fpp @@ -551,6 +551,15 @@ contains end do close (2) end do + if (chemistry) then + write (file_path, '(A,I0,A,I2.2,A,I6.6,A)') trim(t_step_dir)//'/T.', i, '.', proc_rank, '.', t_step, '.dat' + open (2, FILE=trim(file_path)) + do j = 0, m + ! todo: revisit change here + write (2, FMT) x_cb(j), q_T_sf%sf(j, 0, 0) + end do + close (2) + end if end if do i = 1, sys_size diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 44aa3e604f..572946ff02 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -531,6 +531,12 @@ contains & idwbuff(2)%beg:idwbuff(2)%end, & & idwbuff(3)%beg:idwbuff(3)%end)) end do + if (chem_params%diffusion .and. .not. viscous) then + @:ALLOCATE(flux_src_n(i)%vf(E_idx)%sf( & + & idwbuff(1)%beg:idwbuff(1)%end, & + & idwbuff(2)%beg:idwbuff(2)%end, & + & idwbuff(3)%beg:idwbuff(3)%end)) + end if end if else @@ -796,9 +802,15 @@ contains q_prim_qp%vf, & rhs_vf) call nvtxEndRange + ! RHS for diffusion + if (chemistry .and. chem_params%diffusion) then + call nvtxStartRange("RHS-CHEM-DIFFUSION") + call s_compute_chemistry_diffusion_flux(id, q_prim_qp%vf, flux_src_n(id)%vf, irx, iry, irz) + call nvtxEndRange + end if ! RHS additions for viscosity - if (viscous .or. surface_tension) then + if (viscous .or. surface_tension .or. chem_params%diffusion) then call nvtxStartRange("RHS-ADD-PHYSICS") call s_compute_additional_physics_rhs(id, & q_prim_qp%vf, & @@ -1415,20 +1427,47 @@ contains end do end if - !$acc parallel loop collapse(3) gang vector default(present) - do l = 0, p - do k = 0, n - do j = 0, m - !$acc loop seq - do i = momxb, E_idx - rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & - (flux_src_n(i)%sf(j - 1, k, l) & - - flux_src_n(i)%sf(j, k, l)) + if (surface_tension .or. viscous) then + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = momxb, E_idx + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & + (flux_src_n(i)%sf(j - 1, k, l) & + - flux_src_n(i)%sf(j, k, l)) + end do end do end do end do - end do + end if + + if (chem_params%diffusion) then + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = chemxb, chemxe + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & + (flux_src_n(i)%sf(j - 1, k, l) & + - flux_src_n(i)%sf(j, k, l)) + end do + + if (.not. viscous) then + rhs_vf(E_idx)%sf(j, k, l) = & + rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dx(j)* & + (flux_src_n(E_idx)%sf(j - 1, k, l) & + - flux_src_n(E_idx)%sf(j, k, l)) + end if + end do + end do + end do + end if + elseif (idir == 2) then ! y-direction @@ -1510,6 +1549,29 @@ contains end do end do end do + + if (chem_params%diffusion) then + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = chemxb, chemxe + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & + (flux_src_n(i)%sf(j, k - 1, l) & + - flux_src_n(i)%sf(j, k, l)) + end do + if (.not. viscous) then + rhs_vf(E_idx)%sf(j, k, l) = & + rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dy(k)* & + (flux_src_n(E_idx)%sf(j, k - 1, l) & + - flux_src_n(E_idx)%sf(j, k, l)) + end if + end do + end do + end do + end if end if ! Applying the geometrical viscous Riemann source fluxes calculated as average @@ -1596,6 +1658,29 @@ contains end do end do end do + + if (chem_params%diffusion) then + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = chemxb, chemxe + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dz(l)* & + (flux_src_n(i)%sf(j , k, l - 1) & + - flux_src_n(i)%sf(j, k, l)) + end do + if (.not. viscous) then + rhs_vf(E_idx)%sf(j, k, l) = & + rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dz(l)* & + (flux_src_n(E_idx)%sf(j, k, l - 1) & + - flux_src_n(E_idx)%sf(j, k, l)) + end if + end do + end do + end do + end if if (grid_geometry == 3) then !$acc parallel loop collapse(3) gang vector default(present) diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 36d831a439..4cdda66d5e 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -45,7 +45,8 @@ module m_riemann_solvers gas_constant, get_mixture_molecular_weight, & get_mixture_specific_heat_cv_mass, get_mixture_energy_mass, & get_species_specific_heats_r, get_species_enthalpies_rt, & - get_mixture_specific_heat_cp_mass + get_mixture_specific_heat_cp_mass, get_mixture_viscosity_mixavg + implicit none @@ -107,7 +108,7 @@ module m_riemann_solvers !$acc declare create(is1, is2, is3, isx, isy, isz) real(wp), allocatable, dimension(:) :: Gs - !$acc declare create(Gs) + !$acc declare create(gs) real(wp), allocatable, dimension(:, :) :: Res !$acc declare create(Res) @@ -674,6 +675,12 @@ contains end if if (viscous) then + if (chem_params%diffusion) then + call get_mixture_viscosity_mixavg(T_L, Ys_L, Re_L(1)) + call get_mixture_viscosity_mixavg(T_R, Ys_R, Re_R(1)) + Re_L(1) = 1.0_wp/Re_L(1) + Re_R(1) = 1.0_wp/Re_R(1) + end if !$acc loop seq do i = 1, 2 Re_avg_rs${XYZ}$_vf(j, k, l, i) = 2._wp/(1._wp/Re_L(i) + 1._wp/Re_R(i)) @@ -2683,6 +2690,12 @@ contains vel_avg_rms, c_sum_Yi_Phi, c_avg) if (viscous) then + if (chem_params%diffusion) then + call get_mixture_viscosity_mixavg(T_L, Ys_L, Re_L(1)) + call get_mixture_viscosity_mixavg(T_R, Ys_R, Re_R(1)) + Re_L(1) = 1.0_wp/Re_L(1) + Re_R(1) = 1.0_wp/Re_R(1) + end if !$acc loop seq do i = 1, 2 Re_avg_rs${XYZ}$_vf(j, k, l, i) = 2._wp/(1._wp/Re_L(i) + 1._wp/Re_R(i)) @@ -3845,6 +3858,21 @@ contains end do end if + if (chem_params%diffusion) then + !$acc parallel loop collapse(4) gang vector default(present) + do i = E_idx, chemxe + do l = is3%beg, is3%end + do k = is2%beg, is2%end + do j = is1%beg, is1%end + if (i .eq. E_idx .or. i .ge. chemxb) then + flux_src_vf(i)%sf(j, k, l) = 0._wp + end if + end do + end do + end do + end do + end if + if (qbmm) then !$acc parallel loop collapse(4) gang vector default(present) @@ -3868,7 +3896,22 @@ contains do l = is3%beg, is3%end do j = is1%beg, is1%end do k = is2%beg, is2%end - flux_src_vf(i)%sf(k, j, l) = 0._wp + flux_src_vf(i)%sf(j, k, l) = 0._wp + end do + end do + end do + end do + end if + + if (chem_params%diffusion) then + !$acc parallel loop collapse(4) gang vector default(present) + do i = E_idx, chemxe + do l = is3%beg, is3%end + do k = is2%beg, is2%end + do j = is1%beg, is1%end + if (i .eq. E_idx .or. i .ge. chemxb) then + flux_src_vf(i)%sf(j, k, l) = 0._wp + end if end do end do end do @@ -3897,7 +3940,22 @@ contains do j = is1%beg, is1%end do k = is2%beg, is2%end do l = is3%beg, is3%end - flux_src_vf(i)%sf(l, k, j) = 0._wp + flux_src_vf(i)%sf(j, k, l) = 0._wp + end do + end do + end do + end do + end if + + if (chem_params%diffusion) then + !$acc parallel loop collapse(4) gang vector default(present) + do i = E_idx, chemxe + do l = is3%beg, is3%end + do k = is2%beg, is2%end + do j = is1%beg, is1%end + if (i .eq. E_idx .or. i .ge. chemxb) then + flux_src_vf(i)%sf(j, k, l) = 0._wp + end if end do end do end do From bd7325271c16ec2d2c80bdd1d9889ede19816cf7 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 9 Jun 2025 17:52:01 -0400 Subject: [PATCH 03/43] .... --- src/simulation/m_rhs.fpp | 24 +++++++++++------------- 1 file changed, 11 insertions(+), 13 deletions(-) diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 572946ff02..1a891d644e 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -1427,22 +1427,20 @@ contains end do end if - if (surface_tension .or. viscous) then - !$acc parallel loop collapse(3) gang vector default(present) - do l = 0, p - do k = 0, n - do j = 0, m - !$acc loop seq - do i = momxb, E_idx - rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & - (flux_src_n(i)%sf(j - 1, k, l) & - - flux_src_n(i)%sf(j, k, l)) - end do + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = momxb, E_idx + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & + (flux_src_n(i)%sf(j - 1, k, l) & + - flux_src_n(i)%sf(j, k, l)) end do end do end do - end if + end do if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) From 54a0cc48724345c86392224a1195b224ec0f3581 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Tue, 10 Jun 2025 17:21:57 -0400 Subject: [PATCH 04/43] dfedfe --- examples/1D_Dilution/case.py | 109 +++++++++++++++++++++ examples/2D_Premixed_Insta/case.py | 112 ++++++++++++++++++++++ src/pre_process/include/1dHardcodedIC.fpp | 85 +++++++++++++++- src/pre_process/include/2dHardcodedIC.fpp | 92 ++++++++++++++++++ src/simulation/m_rhs.fpp | 26 ++--- 5 files changed, 410 insertions(+), 14 deletions(-) create mode 100644 examples/1D_Dilution/case.py create mode 100644 examples/2D_Premixed_Insta/case.py diff --git a/examples/1D_Dilution/case.py b/examples/1D_Dilution/case.py new file mode 100644 index 0000000000..1ecd400913 --- /dev/null +++ b/examples/1D_Dilution/case.py @@ -0,0 +1,109 @@ +#!/usr/bin/env python3 + +# References: +# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube + +import json +import argparse +import math + +import cantera as ct + +parser = argparse.ArgumentParser( + prog="nD_inert_shocktube", + formatter_class=argparse.ArgumentDefaultsHelpFormatter) + +parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", + help="MFC's toolchain's internal state.") +parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", + help="Disable chemistry.") + +args = parser.parse_args() + +ctfile = 'h2o2.yaml' +sol_L = ct.Solution(ctfile) +sol_L.TPX = 300, 8000, 'O2:2,N2:2,H2O:5' + +L = 0.015 +Nx = 1280 +dx = L / Nx +dt = 1.0e-8 +Tend = 0.60e-4 + +NT = int(Tend / dt) +SAVE_COUNT = 800 +NS = 800 +case = { + # Logistics ================================================================ + 'run_time_info' : 'T', + # ========================================================================== + + # Computational Domain Parameters ========================================== + 'x_domain%beg' : 0, + 'x_domain%end' : +L, + 'm' : Nx, + 'n' : 0, + 'p' : 0, + 'dt' : float(dt), + 't_step_start' : 0, + 't_step_stop' : 2000, + 't_step_save' : NS, + 't_step_print' : NS, + 'parallel_io' : 'F', + # ========================================================================== + + # Simulation Algorithm Parameters ========================================== + 'model_eqns' : 2, + 'num_fluids' : 1, + 'num_patches' : 1, + 'mpp_lim' : 'F', + 'mixture_err' : 'F', + 'time_stepper' : 3, + 'weno_order' : 5, + 'weno_eps' : 1E-16, + 'weno_avg' : 'F', + 'mapped_weno' : 'T', + 'mp_weno' : 'T', + 'riemann_solver' : 2, + 'wave_speeds' : 2, + 'avg_state' : 1, + 'bc_x%beg' :-7, + 'bc_x%end' :-8, + 'viscous' : 'F', + # ========================================================================== + + # Chemistry ================================================================ + 'chemistry' : 'T' if not args.chemistry else 'T', + 'chem_params%diffusion' : 'F', + 'chem_params%reactions' : 'T', + # ========================================================================== + + # Formatted Database Files Structure Parameters ============================ + 'format' : 1, + 'precision' : 2, + 'prim_vars_wrt' : 'T', + # ========================================================================== + + # ========================================================================== + 'patch_icpp(1)%geometry' : 15, + 'patch_icpp(1)%hcid' : 102, + 'patch_icpp(1)%x_centroid' : L/2, + 'patch_icpp(1)%length_x' : L, + 'patch_icpp(1)%vel(1)' : '0', + 'patch_icpp(1)%pres' : 1.01325e5, + 'patch_icpp(1)%alpha(1)' : 1, + 'patch_icpp(1)%alpha_rho(1)' : '1', + # Fluids Physical Parameters =============================================== + 'fluid_pp(1)%gamma' : 1.0E+00/(1.5E+00-1.0E+00), + 'fluid_pp(1)%pi_inf' : 0, + # 'fluid_pp(1)%Re(1)' : 20000000, + # ========================================================================== + + # Chemistry ================================================================ + 'cantera_file' : ctfile, + # ========================================================================== +} + + +if __name__ == '__main__': + print(json.dumps(case)) diff --git a/examples/2D_Premixed_Insta/case.py b/examples/2D_Premixed_Insta/case.py new file mode 100644 index 0000000000..6adb98856c --- /dev/null +++ b/examples/2D_Premixed_Insta/case.py @@ -0,0 +1,112 @@ +import json +import argparse +import math + +import cantera as ct + +parser = argparse.ArgumentParser( + prog="nD_inert_shocktube", + formatter_class=argparse.ArgumentDefaultsHelpFormatter) + +parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", + help="MFC's toolchain's internal state.") +parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", + help="Disable chemstry.") + +args = parser.parse_args() + +ctfile = 'h2o2.yaml' +sol_L = ct.Solution(ctfile) +sol_L.TPX = 300, 101325, 'H:1' + +L = 0.015147 +Nx = 400 +Ny = 200 +dx = L / Nx +dy = dx +dt = 0.5e-8 +Tend = 0.5e-4 + +NT = int(Tend / dt) +SAVE_COUNT = 2000 +NS = 100 + + +# Configuration case dictionary +data = { + # Logistics + "run_time_info": "T", + # Computational Domain + "x_domain%beg": 0, + "x_domain%end": +L, + "y_domain%beg": 0, + "y_domain%end": +L/2, + "m": Nx, + "n": Ny, + "p": 0, + "cyl_coord": "F", + "dt": dt, + "t_step_start": 0, + "t_step_stop": 1, + "t_step_save": 1, + "t_step_print": 1, + # Simulation Algorithm + "model_eqns": 2, + "alt_soundspeed": "F", + "mixture_err": "F", + "mpp_lim": "F", + "time_stepper": 3, + "avg_state": 1, + "weno_order": 5, + "weno_eps": 1e-16, + "mapped_weno": "T", + "null_weights": "F", + "mp_weno": "T", + "weno_Re_flux": "F", + "riemann_solver": 2, + "wave_speeds": 1, + "bc_x%beg": -7, + "bc_x%end": -8, + "bc_y%beg": -1, + "bc_y%end": -1, + 'bc_x%grcbc_out' : 'T', + 'bc_x%pres_out' : 506625, + "num_patches": 1, + "num_fluids": 1, + "viscous": "F", + 'chemistry' : 'T' if not args.chemistry else 'T', + 'chem_params%diffusion' : 'T', + 'chem_params%reactions' : 'T', + # Database Structure Parameters + "format": 1, + "precision": 2, + "prim_vars_wrt": "T", + "parallel_io": "F", + "chem_wrt_T" : "T", + "fd_order" : 2, + # Fluid Parameters (Heavy Gas) + "fluid_pp(1)%gamma": 1.0e00 / (1.4e00 - 1.0e00), + "fluid_pp(1)%pi_inf": 0.0e00, + # "fluid_pp(1)%Re(1)": 100000000, + # Fluid Parameters (Light Gas) + + # Body Forces + + # Water Patch + "patch_icpp(1)%geometry": 7, + "patch_icpp(1)%hcid": 211, + "patch_icpp(1)%x_centroid": L /2, + "patch_icpp(1)%y_centroid": L / 4, + "patch_icpp(1)%length_x": L, + "patch_icpp(1)%length_y": L/2, + "patch_icpp(1)%vel(1)": 0.0, + "patch_icpp(1)%vel(2)": 0.0, + "patch_icpp(1)%pres": 1e5, + "patch_icpp(1)%alpha_rho(1)": 1, + # "patch_icpp(1)%alpha_rho(2)": eps * 1, + "patch_icpp(1)%alpha(1)": 1 , + # "patch_icpp(1)%alpha(2)": eps, + 'cantera_file' : ctfile, +} + +print(json.dumps(data)) diff --git a/src/pre_process/include/1dHardcodedIC.fpp b/src/pre_process/include/1dHardcodedIC.fpp index 01e9a4d565..4ba5720382 100644 --- a/src/pre_process/include/1dHardcodedIC.fpp +++ b/src/pre_process/include/1dHardcodedIC.fpp @@ -1,11 +1,94 @@ #:def Hardcoded1DVariables() - ! Place any declaration of intermediate variables here + + integer, parameter :: nFiles = 14 ! Can be changed to any number + integer, parameter :: nRows = 1281! + integer :: f, iter, ios, unit, idx + real(8) :: x_len, x_step + character(len=100), dimension(nFiles) :: fileNames + ! Arrays to store all data from files - read once, use many times + real(kind(0d0)), dimension(nRows, nFiles) :: stored_values + real(kind(0d0)), dimension(nRows) :: x_coords + logical :: files_loaded = .false. + real(kind(0d0)) :: domain_start, domain_end + character(len=*), parameter :: init_dir = "/home/pain/ChemMFC/examples/Initial/" + character(len=20) :: file_num_str ! For storing the file number as a string + character(len=20) :: zeros_part ! For the trailing zeros part + character(len=6), parameter :: zeros_default = "000000" ! Default zeros (can be changed) + + ! Generate file names dynamically in a loop + do f = 1, nFiles + ! Convert file number to string with proper formatting + if (f < 10) then + write(file_num_str, '(I1)') f ! Single digit + else + write(file_num_str, '(I2)') f ! Double digit + ! For more than 99 files, you might need to adjust this format + end if + + + if (f == 15) then + fileNames(f) = trim(init_dir) // "T.15.00." // zeros_default // ".dat" + else + fileNames(f) = trim(init_dir) // "prim." // trim(file_num_str) // ".00." // zeros_default // ".dat" + end if + + ! Create the filename with the pattern "prim.X.00.000000.dat" + end do! Place any declaration of intermediate variables here #:enddef #:def Hardcoded1D() select case (patch_icpp(patch_id)%hcid) + case(102) + + + !call execute_command_line("pwd", wait=.true.) + + if (.not. files_loaded) then + ! Print status message + print *, "Loading all data files..." + + do f = 1, nFiles + ! Open the file for reading + open(newunit=unit, file=trim(fileNames(f)), status='old', action='read', iostat=ios) + if (ios /= 0) then + print *, "Error opening file: ", trim(fileNames(f)) + cycle ! Skip this file on error + endif + + ! Read all rows at once into memory + do iter = 1, nRows + read(unit, *, iostat=ios) x_coords(iter), stored_values(iter, f) + if (ios /= 0) then + print *, "Error reading file ", trim(fileNames(f)), " at row ", iter + exit ! Exit loop on error + endif + end do + close(unit) + end do + + ! Calculate domain information for mapping + domain_start = x_coords(1) + domain_end = x_coords(nRows) + x_step = (domain_end - domain_start) / (nRows - 1) + + print *, "All data files loaded. Domain range:", domain_start, "to", domain_end + files_loaded = .true. + endif + + ! Simple direct mapping - find the closest index without interpolation + idx = nint((x_cc(i) - domain_start) / x_step) + 1 + + ! Boundary protection + ! if (idx < 1) idx = 1 + ! if (idx > nRows) idx = nRows + + ! Assign values directly from stored data for each file + do f = 1, nFiles + q_prim_vf(f)%sf(i, 0, 0) = stored_values(i+1, f) + end do + case (100) ! Put your variable assignments here case default diff --git a/src/pre_process/include/2dHardcodedIC.fpp b/src/pre_process/include/2dHardcodedIC.fpp index e4bf547999..aac1da8d32 100644 --- a/src/pre_process/include/2dHardcodedIC.fpp +++ b/src/pre_process/include/2dHardcodedIC.fpp @@ -4,8 +4,43 @@ real(wp) :: r, rmax, gam, umax, p0 real(wp) :: rhoH, rhoL, pRef, pInt, h, lam, wl, amp, intH, intL, alph real(wp) :: factor + integer :: Nx1,Nx2,Ny1,Ny2,Ny3,Ny4,Ny5,Ny6,mpi_size,ierr,global_idx + integer :: mpi_rank,lol,idx,stdout,i_min,i_max,local_x_min,local_x_max +integer :: local_start, local_end, local_n + integer, parameter :: nFiles = 14 + integer, parameter :: xRows = 1281 + integer, parameter :: Nrows = xRows + + ! Variables for file reading and domain data + real(wp) :: domain_start, domain_end, x_step + real(wp), dimension(Nrows) :: x_coords + real(wp), dimension(Nrows, nFiles) :: stored_values + character(len=100), dimension(nFiles) :: fileNames + character(len=20) :: file_num_str + character(len=6), parameter :: zeros_default = "000000" + character(len=*), parameter :: init_dir = "/u/dadam/MFC-Adam/examples/1D_reacting_shocktube/" + integer :: f, iter, ios, unit + logical :: files_loaded + files_loaded=.false. eps = 1e-9_wp + do f = 1, nFiles + ! Convert file number to string with proper formatting + if (f < 10) then + write(file_num_str, '(I1)') f ! Single digit + else + write(file_num_str, '(I2)') f ! Double digit + ! For more than 99 files, you might need to adjust this format + end if + + ! Create the filename with the pattern "prim.X.00.000000.dat" + if (f == 15) then + fileNames(f) = trim(init_dir) // "T.15.00." // zeros_default // ".dat" + else + fileNames(f) = trim(init_dir) // "prim." // trim(file_num_str) // ".00." // zeros_default // ".dat" + end if + + end do #:enddef @@ -129,7 +164,64 @@ q_prim_vf(advxb)%sf(i, j, 0) = patch_icpp(1)%alpha(1) q_prim_vf(advxe)%sf(i, j, 0) = patch_icpp(1)%alpha(2) end if + case (211) !2D Boundary Lido for multicomponent transport problems + + if (.not. files_loaded) then + ! Print status message + print *, "Loading all data files..." + + do f = 1, nFiles + ! Open the file for reading + open(newunit=unit, file=trim(fileNames(f)), status='old', action='read', iostat=ios) + if (ios /= 0) then + print *, "Error opening file: ", trim(fileNames(f)) + cycle ! Skip this file on error + endif + + ! Read all rows at once into memory + do iter = 1, nRows + read(unit, *, iostat=ios) x_coords(iter), stored_values(iter, f) + if (ios /= 0) then + print *, "Error reading file ", trim(fileNames(f)), " at row ", iter + exit ! Exit loop on error + endif + end do + close(unit) + end do + + ! Calculate domain information for mapping + domain_start = x_coords(1) + domain_end = x_coords(nRows) + x_step = (domain_end - domain_start) / (nRows - 1) + + print *, "All data files loaded. Domain range:", domain_start, "to", domain_end + files_loaded = .true. + + endif + + ! Simple direct mapping - find the closest index without interpolation + idx = nint((x_cc(i) - domain_start) / x_step) + 1 + + ! Boundary protection + ! if (idx < 1) idx = 1 + ! if (idx > nRows) idx = nRows + + ! Assign values directly from stored data for each file + do f = 1, nFiles-1 + if (f > 2) then + lol = 1 + else + lol = 0 + end if + q_prim_vf(f+lol)%sf(i, j, 0) = stored_values(i+1, f) + end do + ! Set element 3 to zero (as requested) + q_prim_vf(3)%sf(i, j, 0) = 0.0_wp + ! print *, y_cc(0) + if (x_cc(i) .ge. 0.010378) then + q_prim_vf(2)%sf(i,j,0)=q_prim_vf(2)%sf(i,j,0)+(0.1_wp*94.67*10**(-6))*sin(2.0_wp*pi*(y_cc(j)*6.0_wp/(0.015147_wp/2.0_wp))) + end if case (250) ! MHD Orszag-Tang vortex ! gamma = 5/3 ! rho = 25/(36*pi) diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 1a891d644e..98b5a0bebc 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -1428,19 +1428,19 @@ contains end if !$acc parallel loop collapse(3) gang vector default(present) - do l = 0, p - do k = 0, n - do j = 0, m - !$acc loop seq - do i = momxb, E_idx - rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & - (flux_src_n(i)%sf(j - 1, k, l) & - - flux_src_n(i)%sf(j, k, l)) - end do - end do - end do - end do + ! do l = 0, p + ! do k = 0, n + ! do j = 0, m + ! !$acc loop seq + ! do i = momxb, E_idx + ! rhs_vf(i)%sf(j, k, l) = & + ! rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & + ! (flux_src_n(i)%sf(j - 1, k, l) & + ! - flux_src_n(i)%sf(j, k, l)) + ! end do + ! end do + ! end do + ! end do if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) From 5cf3a6816a1571ce71e0d2841393fe206fdfa76c Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Wed, 11 Jun 2025 09:38:57 -0400 Subject: [PATCH 05/43] dff --- examples/1D_Dilution/case.py | 6 +++--- src/common/m_chemistry.fpp | 2 +- src/simulation/m_riemann_solvers.fpp | 8 ++++---- 3 files changed, 8 insertions(+), 8 deletions(-) diff --git a/examples/1D_Dilution/case.py b/examples/1D_Dilution/case.py index 1ecd400913..6f9fd43723 100644 --- a/examples/1D_Dilution/case.py +++ b/examples/1D_Dilution/case.py @@ -28,7 +28,7 @@ Nx = 1280 dx = L / Nx dt = 1.0e-8 -Tend = 0.60e-4 +Tend = 0.60e-3 NT = int(Tend / dt) SAVE_COUNT = 800 @@ -46,7 +46,7 @@ 'p' : 0, 'dt' : float(dt), 't_step_start' : 0, - 't_step_stop' : 2000, + 't_step_stop' : NT, 't_step_save' : NS, 't_step_print' : NS, 'parallel_io' : 'F', @@ -74,7 +74,7 @@ # Chemistry ================================================================ 'chemistry' : 'T' if not args.chemistry else 'T', - 'chem_params%diffusion' : 'F', + 'chem_params%diffusion' : 'T', 'chem_params%reactions' : 'T', # ========================================================================== diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index 96275bd1e6..9e218e0d1e 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -166,7 +166,7 @@ contains offsets(idir) = 1 !$acc parallel loop collapse(3) gang vector default(present) & - !$acc private(Ys_L,Ys_R,Ys_cell,Xs_L,Xs_R,mass_diffusivities_mixavg1,mass_diffusivities_mixavg2,mass_diffusivities_mixavg_Cell,h_l,h_r,Xs_cell,h_k,dXk_dxi,Mass_Diffu_Flux,grid_spacing) + !$acc private(Ys_L,Ys_R,Ys_cell,Xs_L,Xs_R,mass_diffusivities_mixavg1,mass_diffusivities_mixavg2,mass_diffusivities_mixavg_Cell,h_l,h_r,Xs_cell,h_k,dXk_dxi,Mass_Diffu_Flux,offsets) do z = isc3%beg, isc3%end do y = isc2%beg, isc2%end do x = isc1%beg, isc1%end diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 4cdda66d5e..7dbaca2567 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -3896,7 +3896,7 @@ contains do l = is3%beg, is3%end do j = is1%beg, is1%end do k = is2%beg, is2%end - flux_src_vf(i)%sf(j, k, l) = 0._wp + flux_src_vf(i)%sf(k, j, l) = 0._wp end do end do end do @@ -3910,7 +3910,7 @@ contains do k = is2%beg, is2%end do j = is1%beg, is1%end if (i .eq. E_idx .or. i .ge. chemxb) then - flux_src_vf(i)%sf(j, k, l) = 0._wp + flux_src_vf(i)%sf(k, j, l) = 0._wp end if end do end do @@ -3940,7 +3940,7 @@ contains do j = is1%beg, is1%end do k = is2%beg, is2%end do l = is3%beg, is3%end - flux_src_vf(i)%sf(j, k, l) = 0._wp + flux_src_vf(i)%sf(l, k, j) = 0._wp end do end do end do @@ -3954,7 +3954,7 @@ contains do k = is2%beg, is2%end do j = is1%beg, is1%end if (i .eq. E_idx .or. i .ge. chemxb) then - flux_src_vf(i)%sf(j, k, l) = 0._wp + flux_src_vf(i)%sf(l, k, j) = 0._wp end if end do end do From 7dd0869e0b92c88acc6e6cb5f911ca52f420c702 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Wed, 11 Jun 2025 11:06:30 -0400 Subject: [PATCH 06/43] MInor Bugs --- examples/1D_Dilution/case.py | 8 +-- src/simulation/m_rhs.fpp | 79 +++++++++++++++------------- src/simulation/m_riemann_solvers.fpp | 13 ++--- 3 files changed, 54 insertions(+), 46 deletions(-) diff --git a/examples/1D_Dilution/case.py b/examples/1D_Dilution/case.py index 6f9fd43723..0560b58bbb 100644 --- a/examples/1D_Dilution/case.py +++ b/examples/1D_Dilution/case.py @@ -27,7 +27,7 @@ L = 0.015 Nx = 1280 dx = L / Nx -dt = 1.0e-8 +dt = 0.5e-8 Tend = 0.60e-3 NT = int(Tend / dt) @@ -46,9 +46,9 @@ 'p' : 0, 'dt' : float(dt), 't_step_start' : 0, - 't_step_stop' : NT, - 't_step_save' : NS, - 't_step_print' : NS, + 't_step_stop' : 200, + 't_step_save' : 40, + 't_step_print' : 1, 'parallel_io' : 'F', # ========================================================================== diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 98b5a0bebc..5ea879fd9a 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -1427,20 +1427,22 @@ contains end do end if - !$acc parallel loop collapse(3) gang vector default(present) - ! do l = 0, p - ! do k = 0, n - ! do j = 0, m - ! !$acc loop seq - ! do i = momxb, E_idx - ! rhs_vf(i)%sf(j, k, l) = & - ! rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & - ! (flux_src_n(i)%sf(j - 1, k, l) & - ! - flux_src_n(i)%sf(j, k, l)) - ! end do - ! end do - ! end do - ! end do + if (surface_tension .or. viscous) then + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = momxb, E_idx + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & + (flux_src_n(i)%sf(j - 1, k, l) & + - flux_src_n(i)%sf(j, k, l)) + end do + end do + end do + end do + end if if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) @@ -1533,20 +1535,23 @@ contains end do else - !$acc parallel loop collapse(3) gang vector default(present) - do l = 0, p - do k = 0, n - do j = 0, m - !$acc loop seq - do i = momxb, E_idx - rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & - (flux_src_n(i)%sf(j, k - 1, l) & - - flux_src_n(i)%sf(j, k, l)) + + if (viscous .or. surface_tension) then + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = momxb, E_idx + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & + (flux_src_n(i)%sf(j, k - 1, l) & + - flux_src_n(i)%sf(j, k, l)) + end do end do end do end do - end do + end if if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) @@ -1642,20 +1647,22 @@ contains end do end if - !$acc parallel loop collapse(3) gang vector default(present) - do l = 0, p - do k = 0, n - do j = 0, m - !$acc loop seq - do i = momxb, E_idx - rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dz(l)* & - (flux_src_n(i)%sf(j, k, l - 1) & - - flux_src_n(i)%sf(j, k, l)) + if (viscous .or. surface_tension) then + !$acc parallel loop collapse(3) gang vector default(present) + do l = 0, p + do k = 0, n + do j = 0, m + !$acc loop seq + do i = momxb, E_idx + rhs_vf(i)%sf(j, k, l) = & + rhs_vf(i)%sf(j, k, l) + 1._wp/dz(l)* & + (flux_src_n(i)%sf(j, k, l - 1) & + - flux_src_n(i)%sf(j, k, l)) + end do end do end do end do - end do + end if if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 7dbaca2567..8d695bc8b9 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -675,7 +675,7 @@ contains end if if (viscous) then - if (chem_params%diffusion) then + if (chemistry) then call get_mixture_viscosity_mixavg(T_L, Ys_L, Re_L(1)) call get_mixture_viscosity_mixavg(T_R, Ys_R, Re_R(1)) Re_L(1) = 1.0_wp/Re_L(1) @@ -2690,7 +2690,7 @@ contains vel_avg_rms, c_sum_Yi_Phi, c_avg) if (viscous) then - if (chem_params%diffusion) then + if (chemistry) then call get_mixture_viscosity_mixavg(T_L, Ys_L, Re_L(1)) call get_mixture_viscosity_mixavg(T_R, Ys_R, Re_R(1)) Re_L(1) = 1.0_wp/Re_L(1) @@ -3859,6 +3859,7 @@ contains end if if (chem_params%diffusion) then + !$acc parallel loop collapse(4) gang vector default(present) do i = E_idx, chemxe do l = is3%beg, is3%end @@ -3907,8 +3908,8 @@ contains !$acc parallel loop collapse(4) gang vector default(present) do i = E_idx, chemxe do l = is3%beg, is3%end - do k = is2%beg, is2%end - do j = is1%beg, is1%end + do j = is1%beg, is1%end + do k = is2%beg, is2%end if (i .eq. E_idx .or. i .ge. chemxb) then flux_src_vf(i)%sf(k, j, l) = 0._wp end if @@ -3950,9 +3951,9 @@ contains if (chem_params%diffusion) then !$acc parallel loop collapse(4) gang vector default(present) do i = E_idx, chemxe - do l = is3%beg, is3%end + do j = is1%beg, is1%end do k = is2%beg, is2%end - do j = is1%beg, is1%end + do l = is3%beg, is3%end if (i .eq. E_idx .or. i .ge. chemxb) then flux_src_vf(i)%sf(l, k, j) = 0._wp end if From ba9a48ae24c6e2f46ab7fc72e6d4d18fa763a542 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Wed, 11 Jun 2025 13:45:08 -0400 Subject: [PATCH 07/43] Minor Bugs --- examples/1D_Dilution/case.py | 8 ++++---- src/simulation/m_data_output.fpp | 9 --------- 2 files changed, 4 insertions(+), 13 deletions(-) diff --git a/examples/1D_Dilution/case.py b/examples/1D_Dilution/case.py index 0560b58bbb..0ae8c31426 100644 --- a/examples/1D_Dilution/case.py +++ b/examples/1D_Dilution/case.py @@ -46,8 +46,8 @@ 'p' : 0, 'dt' : float(dt), 't_step_start' : 0, - 't_step_stop' : 200, - 't_step_save' : 40, + 't_step_stop' : 1000, + 't_step_save' : 500, 't_step_print' : 1, 'parallel_io' : 'F', # ========================================================================== @@ -69,7 +69,7 @@ 'avg_state' : 1, 'bc_x%beg' :-7, 'bc_x%end' :-8, - 'viscous' : 'F', + 'viscous' : 'T', # ========================================================================== # Chemistry ================================================================ @@ -96,7 +96,7 @@ # Fluids Physical Parameters =============================================== 'fluid_pp(1)%gamma' : 1.0E+00/(1.5E+00-1.0E+00), 'fluid_pp(1)%pi_inf' : 0, - # 'fluid_pp(1)%Re(1)' : 20000000, + 'fluid_pp(1)%Re(1)' : 20000000, # ========================================================================== # Chemistry ================================================================ diff --git a/src/simulation/m_data_output.fpp b/src/simulation/m_data_output.fpp index 824b15282c..5b174e6652 100644 --- a/src/simulation/m_data_output.fpp +++ b/src/simulation/m_data_output.fpp @@ -551,15 +551,6 @@ contains end do close (2) end do - if (chemistry) then - write (file_path, '(A,I0,A,I2.2,A,I6.6,A)') trim(t_step_dir)//'/T.', i, '.', proc_rank, '.', t_step, '.dat' - open (2, FILE=trim(file_path)) - do j = 0, m - ! todo: revisit change here - write (2, FMT) x_cb(j), q_T_sf%sf(j, 0, 0) - end do - close (2) - end if end if do i = 1, sys_size From d9ee1f0c6f912a6791a4f7a8aeebeb9813416bf1 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Wed, 11 Jun 2025 13:58:58 -0500 Subject: [PATCH 08/43] fef --- examples/2D_Premixed_Insta/case.py | 16 ++++++++-------- src/pre_process/include/2dHardcodedIC.fpp | 4 ++-- 2 files changed, 10 insertions(+), 10 deletions(-) diff --git a/examples/2D_Premixed_Insta/case.py b/examples/2D_Premixed_Insta/case.py index 6adb98856c..71cd500df2 100644 --- a/examples/2D_Premixed_Insta/case.py +++ b/examples/2D_Premixed_Insta/case.py @@ -19,8 +19,8 @@ sol_L = ct.Solution(ctfile) sol_L.TPX = 300, 101325, 'H:1' -L = 0.015147 -Nx = 400 +L = 0.01500 +Nx = 1000 Ny = 200 dx = L / Nx dy = dx @@ -47,8 +47,8 @@ "cyl_coord": "F", "dt": dt, "t_step_start": 0, - "t_step_stop": 1, - "t_step_save": 1, + "t_step_stop": 400, + "t_step_save": 25, "t_step_print": 1, # Simulation Algorithm "model_eqns": 2, @@ -69,8 +69,8 @@ "bc_x%end": -8, "bc_y%beg": -1, "bc_y%end": -1, - 'bc_x%grcbc_out' : 'T', - 'bc_x%pres_out' : 506625, + # 'bc_x%grcbc_out' : 'T', + # 'bc_x%pres_out' : 506625, "num_patches": 1, "num_fluids": 1, "viscous": "F", @@ -81,13 +81,13 @@ "format": 1, "precision": 2, "prim_vars_wrt": "T", - "parallel_io": "F", + "parallel_io": "T", "chem_wrt_T" : "T", "fd_order" : 2, # Fluid Parameters (Heavy Gas) "fluid_pp(1)%gamma": 1.0e00 / (1.4e00 - 1.0e00), "fluid_pp(1)%pi_inf": 0.0e00, - # "fluid_pp(1)%Re(1)": 100000000, + # "fluid_pp(1)%Re(1)": 100000000, # Fluid Parameters (Light Gas) # Body Forces diff --git a/src/pre_process/include/2dHardcodedIC.fpp b/src/pre_process/include/2dHardcodedIC.fpp index aac1da8d32..7b388c9d97 100644 --- a/src/pre_process/include/2dHardcodedIC.fpp +++ b/src/pre_process/include/2dHardcodedIC.fpp @@ -9,7 +9,7 @@ integer :: local_start, local_end, local_n integer, parameter :: nFiles = 14 - integer, parameter :: xRows = 1281 + integer, parameter :: xRows = 1001 integer, parameter :: Nrows = xRows ! Variables for file reading and domain data @@ -207,7 +207,7 @@ integer :: local_start, local_end, local_n ! if (idx > nRows) idx = nRows ! Assign values directly from stored data for each file - do f = 1, nFiles-1 + do f = 1, nFiles if (f > 2) then lol = 1 else From 52a793689c4cd234b06c8240537c770158a58b1a Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Wed, 11 Jun 2025 15:32:27 -0500 Subject: [PATCH 09/43] fkjkfje --- examples/2D_Premixed_Insta/case.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/examples/2D_Premixed_Insta/case.py b/examples/2D_Premixed_Insta/case.py index 71cd500df2..becb0a5082 100644 --- a/examples/2D_Premixed_Insta/case.py +++ b/examples/2D_Premixed_Insta/case.py @@ -21,7 +21,7 @@ L = 0.01500 Nx = 1000 -Ny = 200 +Ny = 26 dx = L / Nx dy = dx dt = 0.5e-8 @@ -47,7 +47,7 @@ "cyl_coord": "F", "dt": dt, "t_step_start": 0, - "t_step_stop": 400, + "t_step_stop": 100, "t_step_save": 25, "t_step_print": 1, # Simulation Algorithm From 8248f972ce0bdc7a2e621d8453576966401d280b Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 12 Jun 2025 12:05:10 -0400 Subject: [PATCH 10/43] ferfe --- examples/1D_Dilution/case.py | 12 ++++++------ src/pre_process/include/1dHardcodedIC.fpp | 2 +- src/pre_process/include/2dHardcodedIC.fpp | 2 +- 3 files changed, 8 insertions(+), 8 deletions(-) diff --git a/examples/1D_Dilution/case.py b/examples/1D_Dilution/case.py index 0ae8c31426..20dcc1b97f 100644 --- a/examples/1D_Dilution/case.py +++ b/examples/1D_Dilution/case.py @@ -25,7 +25,7 @@ sol_L.TPX = 300, 8000, 'O2:2,N2:2,H2O:5' L = 0.015 -Nx = 1280 +Nx = 1000 dx = L / Nx dt = 0.5e-8 Tend = 0.60e-3 @@ -46,8 +46,8 @@ 'p' : 0, 'dt' : float(dt), 't_step_start' : 0, - 't_step_stop' : 1000, - 't_step_save' : 500, + 't_step_stop' : 2000, + 't_step_save' : 1000, 't_step_print' : 1, 'parallel_io' : 'F', # ========================================================================== @@ -69,12 +69,12 @@ 'avg_state' : 1, 'bc_x%beg' :-7, 'bc_x%end' :-8, - 'viscous' : 'T', + 'viscous' : 'F', # ========================================================================== # Chemistry ================================================================ 'chemistry' : 'T' if not args.chemistry else 'T', - 'chem_params%diffusion' : 'T', + 'chem_params%diffusion' : 'F', 'chem_params%reactions' : 'T', # ========================================================================== @@ -96,7 +96,7 @@ # Fluids Physical Parameters =============================================== 'fluid_pp(1)%gamma' : 1.0E+00/(1.5E+00-1.0E+00), 'fluid_pp(1)%pi_inf' : 0, - 'fluid_pp(1)%Re(1)' : 20000000, + #'fluid_pp(1)%Re(1)' : 20000000, # ========================================================================== # Chemistry ================================================================ diff --git a/src/pre_process/include/1dHardcodedIC.fpp b/src/pre_process/include/1dHardcodedIC.fpp index 4ba5720382..3d3085f20b 100644 --- a/src/pre_process/include/1dHardcodedIC.fpp +++ b/src/pre_process/include/1dHardcodedIC.fpp @@ -1,7 +1,7 @@ #:def Hardcoded1DVariables() integer, parameter :: nFiles = 14 ! Can be changed to any number - integer, parameter :: nRows = 1281! + integer, parameter :: nRows = 1001! integer :: f, iter, ios, unit, idx real(8) :: x_len, x_step character(len=100), dimension(nFiles) :: fileNames diff --git a/src/pre_process/include/2dHardcodedIC.fpp b/src/pre_process/include/2dHardcodedIC.fpp index aac1da8d32..62ac0c9773 100644 --- a/src/pre_process/include/2dHardcodedIC.fpp +++ b/src/pre_process/include/2dHardcodedIC.fpp @@ -9,7 +9,7 @@ integer :: local_start, local_end, local_n integer, parameter :: nFiles = 14 - integer, parameter :: xRows = 1281 + integer, parameter :: xRows = 1001 integer, parameter :: Nrows = xRows ! Variables for file reading and domain data From c6046756d9074763e2e98561761a4d539cbe0ab5 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 12 Jun 2025 13:54:25 -0400 Subject: [PATCH 11/43] Loop stuff --- src/common/m_chemistry.fpp | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index 9e218e0d1e..4b00fa7e98 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -21,7 +21,9 @@ module m_chemistry type(int_bounds_info):: isc1, isc2, isc3 !$acc declare create(isc1, isc2, isc3) - + + integer, dimension(3) :: offsets + !$acc declare create(offsets) contains subroutine s_compute_q_T_sf(q_T_sf, q_cons_vf, bounds) @@ -154,7 +156,6 @@ contains integer :: x, y, z, i, n, eqn integer, dimension(3) :: offsets - real(wp), dimension(3), pointer :: grid_coords(:) isc1=irx;isc2=iry;isc3=irz @@ -162,10 +163,10 @@ contains if (chemistry) then ! Set offsets based on direction using array indexing - offsets(:) = 0 + offsets = 0 offsets(idir) = 1 - !$acc parallel loop collapse(3) gang vector default(present) & + !$acc parallel loop collapse(3) gang vector default(present) copyin(offsets) & !$acc private(Ys_L,Ys_R,Ys_cell,Xs_L,Xs_R,mass_diffusivities_mixavg1,mass_diffusivities_mixavg2,mass_diffusivities_mixavg_Cell,h_l,h_r,Xs_cell,h_k,dXk_dxi,Mass_Diffu_Flux,offsets) do z = isc3%beg, isc3%end do y = isc2%beg, isc2%end From beb8022f0c9c6880e45c32395bd9cc95a4bb55d2 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 12 Jun 2025 14:01:40 -0400 Subject: [PATCH 12/43] ... --- src/simulation/m_riemann_solvers.fpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 8d695bc8b9..dbf6ca9c20 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -108,7 +108,7 @@ module m_riemann_solvers !$acc declare create(is1, is2, is3, isx, isy, isz) real(wp), allocatable, dimension(:) :: Gs - !$acc declare create(gs) + !$acc declare create(Gs) real(wp), allocatable, dimension(:, :) :: Res !$acc declare create(Res) From 4232149dcd88074330c997cc138a962e7620fa3b Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 12 Jun 2025 19:24:45 -0500 Subject: [PATCH 13/43] Delta Issue --- src/common/m_chemistry.fpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index 4b00fa7e98..d84f4908c4 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -167,7 +167,7 @@ contains offsets(idir) = 1 !$acc parallel loop collapse(3) gang vector default(present) copyin(offsets) & - !$acc private(Ys_L,Ys_R,Ys_cell,Xs_L,Xs_R,mass_diffusivities_mixavg1,mass_diffusivities_mixavg2,mass_diffusivities_mixavg_Cell,h_l,h_r,Xs_cell,h_k,dXk_dxi,Mass_Diffu_Flux,offsets) + !$acc private(Ys_L,Ys_R,Ys_cell,Xs_L,Xs_R,mass_diffusivities_mixavg1,mass_diffusivities_mixavg2,mass_diffusivities_mixavg_Cell,h_l,h_r,Xs_cell,h_k,dXk_dxi,Mass_Diffu_Flux) do z = isc3%beg, isc3%end do y = isc2%beg, isc2%end do x = isc1%beg, isc1%end From 3c6654e693aa2b20326629b679ef7f8324101228 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 16 Jun 2025 10:35:16 -0400 Subject: [PATCH 14/43] Small Changes --- examples/1D_Dilution/case.py | 109 -------------------- examples/1D_MultiCompo_Diffu/case.py | 116 ---------------------- examples/1D_MultiCompo_Diffu/grigri.yaml | 106 -------------------- examples/2D_Premixed_Insta/case.py | 112 --------------------- src/common/m_chemistry.fpp | 35 ++++--- src/pre_process/include/1dHardcodedIC.fpp | 86 +--------------- src/pre_process/include/2dHardcodedIC.fpp | 94 ------------------ src/simulation/m_rhs.fpp | 61 ++++++------ src/simulation/m_riemann_solvers.fpp | 7 +- 9 files changed, 51 insertions(+), 675 deletions(-) delete mode 100644 examples/1D_Dilution/case.py delete mode 100644 examples/1D_MultiCompo_Diffu/case.py delete mode 100644 examples/1D_MultiCompo_Diffu/grigri.yaml delete mode 100644 examples/2D_Premixed_Insta/case.py diff --git a/examples/1D_Dilution/case.py b/examples/1D_Dilution/case.py deleted file mode 100644 index 20dcc1b97f..0000000000 --- a/examples/1D_Dilution/case.py +++ /dev/null @@ -1,109 +0,0 @@ -#!/usr/bin/env python3 - -# References: -# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube - -import json -import argparse -import math - -import cantera as ct - -parser = argparse.ArgumentParser( - prog="nD_inert_shocktube", - formatter_class=argparse.ArgumentDefaultsHelpFormatter) - -parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", - help="MFC's toolchain's internal state.") -parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", - help="Disable chemistry.") - -args = parser.parse_args() - -ctfile = 'h2o2.yaml' -sol_L = ct.Solution(ctfile) -sol_L.TPX = 300, 8000, 'O2:2,N2:2,H2O:5' - -L = 0.015 -Nx = 1000 -dx = L / Nx -dt = 0.5e-8 -Tend = 0.60e-3 - -NT = int(Tend / dt) -SAVE_COUNT = 800 -NS = 800 -case = { - # Logistics ================================================================ - 'run_time_info' : 'T', - # ========================================================================== - - # Computational Domain Parameters ========================================== - 'x_domain%beg' : 0, - 'x_domain%end' : +L, - 'm' : Nx, - 'n' : 0, - 'p' : 0, - 'dt' : float(dt), - 't_step_start' : 0, - 't_step_stop' : 2000, - 't_step_save' : 1000, - 't_step_print' : 1, - 'parallel_io' : 'F', - # ========================================================================== - - # Simulation Algorithm Parameters ========================================== - 'model_eqns' : 2, - 'num_fluids' : 1, - 'num_patches' : 1, - 'mpp_lim' : 'F', - 'mixture_err' : 'F', - 'time_stepper' : 3, - 'weno_order' : 5, - 'weno_eps' : 1E-16, - 'weno_avg' : 'F', - 'mapped_weno' : 'T', - 'mp_weno' : 'T', - 'riemann_solver' : 2, - 'wave_speeds' : 2, - 'avg_state' : 1, - 'bc_x%beg' :-7, - 'bc_x%end' :-8, - 'viscous' : 'F', - # ========================================================================== - - # Chemistry ================================================================ - 'chemistry' : 'T' if not args.chemistry else 'T', - 'chem_params%diffusion' : 'F', - 'chem_params%reactions' : 'T', - # ========================================================================== - - # Formatted Database Files Structure Parameters ============================ - 'format' : 1, - 'precision' : 2, - 'prim_vars_wrt' : 'T', - # ========================================================================== - - # ========================================================================== - 'patch_icpp(1)%geometry' : 15, - 'patch_icpp(1)%hcid' : 102, - 'patch_icpp(1)%x_centroid' : L/2, - 'patch_icpp(1)%length_x' : L, - 'patch_icpp(1)%vel(1)' : '0', - 'patch_icpp(1)%pres' : 1.01325e5, - 'patch_icpp(1)%alpha(1)' : 1, - 'patch_icpp(1)%alpha_rho(1)' : '1', - # Fluids Physical Parameters =============================================== - 'fluid_pp(1)%gamma' : 1.0E+00/(1.5E+00-1.0E+00), - 'fluid_pp(1)%pi_inf' : 0, - #'fluid_pp(1)%Re(1)' : 20000000, - # ========================================================================== - - # Chemistry ================================================================ - 'cantera_file' : ctfile, - # ========================================================================== -} - - -if __name__ == '__main__': - print(json.dumps(case)) diff --git a/examples/1D_MultiCompo_Diffu/case.py b/examples/1D_MultiCompo_Diffu/case.py deleted file mode 100644 index ed4dd71101..0000000000 --- a/examples/1D_MultiCompo_Diffu/case.py +++ /dev/null @@ -1,116 +0,0 @@ -#!/usr/bin/env python3 - -# References: -# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube - -import json -import argparse -import math - -import cantera as ct - -parser = argparse.ArgumentParser( - prog="1D_MultiCompo_Diffu", - formatter_class=argparse.ArgumentDefaultsHelpFormatter) - -parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", - help="MFC's toolchain's internal state.") -parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", - help="Disable chemistry.") - -args = parser.parse_args() - -ctfile = 'grigri.yaml' -sol_L = ct.Solution(ctfile) -sol_L.TPX = 300, 8000, 'O2:2,N2:2,H2O:5' - -L = 0.05 -Nx = 100 -dx = L / Nx -dt = 0.3e-6 -Tend = 0.05 - -NT = int(Tend / dt) -SAVE_COUNT = 5000 -NS = 5000 -case = { - # Logistics ================================================================ - 'run_time_info' : 'T', - # ========================================================================== - - # Computational Domain Parameters ========================================== - 'x_domain%beg' : 0, - 'x_domain%end' : +L, - 'm' : Nx, - 'n' : 0, - 'p' : 0, - 'dt' : float(dt), - 't_step_start' : 0, - 't_step_stop' : NT, - 't_step_save' : NS, - 't_step_print' : NS, - 'parallel_io' : 'F', - # ========================================================================== - - # Simulation Algorithm Parameters ========================================== - 'model_eqns' : 2, - 'num_fluids' : 1, - 'num_patches' : 1, - 'mpp_lim' : 'F', - 'mixture_err' : 'F', - 'time_stepper' : 3, - 'weno_order' : 5, - 'weno_eps' : 1E-16, - 'weno_avg' : 'F', - 'mapped_weno' : 'T', - 'mp_weno' : 'T', - 'riemann_solver' : 2, - 'wave_speeds' : 2, - 'avg_state' : 1, - 'bc_x%beg' :-1, - 'bc_x%end' :-1, - 'viscous' : 'F', - # ========================================================================== - - # Chemistry ================================================================ - 'chemistry' : 'T' if not args.chemistry else 'T', - 'chem_params%diffusion' : 'T', - 'chem_params%reactions' : 'F', - # ========================================================================== - - # Formatted Database Files Structure Parameters ============================ - 'format' : 1, - 'precision' : 2, - 'prim_vars_wrt' : 'T', - "chem_wrt_T" : "T", - # ========================================================================== - - # ========================================================================== - 'patch_icpp(1)%geometry' : 1, - 'patch_icpp(1)%x_centroid' : L/2, - 'patch_icpp(1)%length_x' : L, - 'patch_icpp(1)%vel(1)' : '0', - 'patch_icpp(1)%pres' : 1.01325e5, - 'patch_icpp(1)%alpha(1)' : 1, - 'patch_icpp(1)%Y(1)' : '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142', - 'patch_icpp(1)%Y(2)' : '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1', - 'patch_icpp(1)%Y(3)' : '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0', - 'patch_icpp(1)%Y(4)' : '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758', - 'patch_icpp(1)%alpha_rho(1)' : '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', - # ========================================================================== - - # Fluids Physical Parameters =============================================== - 'fluid_pp(1)%gamma' : 1.0E+00/(1.9326E+00-1.0E+00), - 'fluid_pp(1)%pi_inf' : 0, - # ========================================================================== - - # Chemistry ================================================================ - 'cantera_file' : ctfile, - # ========================================================================== -} - -if args.chemistry: - for i in range(4): - case[f'chem_wrt_Y({i + 1})'] = 'T' -if __name__ == '__main__': - print(json.dumps(case)) diff --git a/examples/1D_MultiCompo_Diffu/grigri.yaml b/examples/1D_MultiCompo_Diffu/grigri.yaml deleted file mode 100644 index 510b744a28..0000000000 --- a/examples/1D_MultiCompo_Diffu/grigri.yaml +++ /dev/null @@ -1,106 +0,0 @@ -description: |- - GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format - See README30 file at anonymous FTP site unix.sri.com, directory gri; - WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or - through http://www.gri.org , under 'Basic Research', - for additional information, contacts, and disclaimer - Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html -generator: ck2yaml -input-files: [gri30.inp, gri30_thermo.dat, gri30_tran.dat] -cantera-version: 2.5.0 -date: Wed, 11 Dec 2019 16:59:02 -0500 - -units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} - -phases: -- name: gri30 - thermo: ideal-gas - elements: [O, H, C, N] - species: [O2, H2O, CH4, N2] - kinetics: gas - transport: mixture-averaged - state: {T: 300.0, P: 1 atm} - -species: -- name: O2 - composition: {O: 2} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, - -1063.94356, 3.65767573] - - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14, - -1088.45772, 5.45323129] - note: TPIS89 - transport: - model: gas - geometry: linear - well-depth: 107.4 - diameter: 3.458 - polarizability: 1.6 - rotational-relaxation: 3.8 -- name: H2O - composition: {H: 2, O: 1} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12, - -3.02937267e+04, -0.849032208] - - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14, - -3.00042971e+04, 4.9667701] - note: L8/89 - transport: - model: gas - geometry: nonlinear - well-depth: 572.4 - diameter: 2.605 - dipole: 1.844 - rotational-relaxation: 4.0 -- name: CH4 - composition: {C: 1, H: 4} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11, - -1.02466476e+04, -4.64130376] - - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13, - -9468.34459, 18.437318] - note: L8/88 - transport: - model: gas - geometry: nonlinear - well-depth: 141.4 - diameter: 3.746 - polarizability: 2.6 - rotational-relaxation: 13.0 -- name: N2 - composition: {N: 2} - thermo: - model: NASA7 - temperature-ranges: [300.0, 1000.0, 5000.0] - data: - - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, - -1020.8999, 3.950372] - - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, - -922.7977, 5.980528] - note: '121286' - transport: - model: gas - geometry: linear - well-depth: 97.53 - diameter: 3.621 - polarizability: 1.76 - rotational-relaxation: 4.0 - -reactions: -- equation: CH4 <=> CH4 # Reaction 1 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: N2 <=> N2 # Reaction 2 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: H2O <=> H2O # Reaction 3 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: O2 <=> O2 # Reaction 4 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} diff --git a/examples/2D_Premixed_Insta/case.py b/examples/2D_Premixed_Insta/case.py deleted file mode 100644 index becb0a5082..0000000000 --- a/examples/2D_Premixed_Insta/case.py +++ /dev/null @@ -1,112 +0,0 @@ -import json -import argparse -import math - -import cantera as ct - -parser = argparse.ArgumentParser( - prog="nD_inert_shocktube", - formatter_class=argparse.ArgumentDefaultsHelpFormatter) - -parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", - help="MFC's toolchain's internal state.") -parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", - help="Disable chemstry.") - -args = parser.parse_args() - -ctfile = 'h2o2.yaml' -sol_L = ct.Solution(ctfile) -sol_L.TPX = 300, 101325, 'H:1' - -L = 0.01500 -Nx = 1000 -Ny = 26 -dx = L / Nx -dy = dx -dt = 0.5e-8 -Tend = 0.5e-4 - -NT = int(Tend / dt) -SAVE_COUNT = 2000 -NS = 100 - - -# Configuration case dictionary -data = { - # Logistics - "run_time_info": "T", - # Computational Domain - "x_domain%beg": 0, - "x_domain%end": +L, - "y_domain%beg": 0, - "y_domain%end": +L/2, - "m": Nx, - "n": Ny, - "p": 0, - "cyl_coord": "F", - "dt": dt, - "t_step_start": 0, - "t_step_stop": 100, - "t_step_save": 25, - "t_step_print": 1, - # Simulation Algorithm - "model_eqns": 2, - "alt_soundspeed": "F", - "mixture_err": "F", - "mpp_lim": "F", - "time_stepper": 3, - "avg_state": 1, - "weno_order": 5, - "weno_eps": 1e-16, - "mapped_weno": "T", - "null_weights": "F", - "mp_weno": "T", - "weno_Re_flux": "F", - "riemann_solver": 2, - "wave_speeds": 1, - "bc_x%beg": -7, - "bc_x%end": -8, - "bc_y%beg": -1, - "bc_y%end": -1, - # 'bc_x%grcbc_out' : 'T', - # 'bc_x%pres_out' : 506625, - "num_patches": 1, - "num_fluids": 1, - "viscous": "F", - 'chemistry' : 'T' if not args.chemistry else 'T', - 'chem_params%diffusion' : 'T', - 'chem_params%reactions' : 'T', - # Database Structure Parameters - "format": 1, - "precision": 2, - "prim_vars_wrt": "T", - "parallel_io": "T", - "chem_wrt_T" : "T", - "fd_order" : 2, - # Fluid Parameters (Heavy Gas) - "fluid_pp(1)%gamma": 1.0e00 / (1.4e00 - 1.0e00), - "fluid_pp(1)%pi_inf": 0.0e00, - # "fluid_pp(1)%Re(1)": 100000000, - # Fluid Parameters (Light Gas) - - # Body Forces - - # Water Patch - "patch_icpp(1)%geometry": 7, - "patch_icpp(1)%hcid": 211, - "patch_icpp(1)%x_centroid": L /2, - "patch_icpp(1)%y_centroid": L / 4, - "patch_icpp(1)%length_x": L, - "patch_icpp(1)%length_y": L/2, - "patch_icpp(1)%vel(1)": 0.0, - "patch_icpp(1)%vel(2)": 0.0, - "patch_icpp(1)%pres": 1e5, - "patch_icpp(1)%alpha_rho(1)": 1, - # "patch_icpp(1)%alpha_rho(2)": eps * 1, - "patch_icpp(1)%alpha(1)": 1 , - # "patch_icpp(1)%alpha(2)": eps, - 'cantera_file' : ctfile, -} - -print(json.dumps(data)) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index d84f4908c4..bde5ddbbf6 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -9,19 +9,18 @@ module m_chemistry use m_thermochem, only: & - num_species, molecular_weights, get_temperature, get_net_production_rates, & get_mole_fractions, get_species_binary_mass_diffusivities, & get_species_mass_diffusivities_mixavg, gas_constant, get_mixture_molecular_weight, & - get_mixture_energy_mass,get_mixture_thermal_conductivity_mixavg,get_species_enthalpies_rt + get_mixture_energy_mass, get_mixture_thermal_conductivity_mixavg, get_species_enthalpies_rt use m_global_parameters implicit none - type(int_bounds_info):: isc1, isc2, isc3 + type(int_bounds_info) :: isc1, isc2, isc3 !$acc declare create(isc1, isc2, isc3) - + integer, dimension(3) :: offsets !$acc declare create(offsets) contains @@ -140,8 +139,8 @@ contains subroutine s_compute_chemistry_diffusion_flux(idir, q_prim_qp, flux_src_vf, irx, iry, irz) - type (scalar_field), dimension(sys_size), intent(in) :: q_prim_qp - type (scalar_field), dimension(sys_size), intent(inout) :: flux_src_vf + 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 @@ -157,10 +156,10 @@ contains integer :: x, y, z, i, n, eqn integer, dimension(3) :: offsets - isc1=irx;isc2=iry;isc3=irz + isc1 = irx; isc2 = iry; isc3 = irz !$acc update device(isc1, isc2, isc3) - + if (chemistry) then ! Set offsets based on direction using array indexing offsets = 0 @@ -190,16 +189,16 @@ contains end do ! Calculate molecular weights and mole fractions - call get_mixture_molecular_weight(Ys_L, MW_L) - call get_mixture_molecular_weight(Ys_R, MW_R) + call get_mixture_molecular_weight(Ys_L, MW_L) + call get_mixture_molecular_weight(Ys_R, MW_R) MW_cell = 0.5_wp*(MW_L + MW_R) call get_mole_fractions(MW_L, Ys_L, Xs_L) call get_mole_fractions(MW_R, Ys_R, Xs_R) ! Calculate gas constants and thermodynamic properties - Rgas_L = gas_constant / MW_L - Rgas_R = gas_constant / MW_R + Rgas_L = gas_constant/MW_L + Rgas_R = gas_constant/MW_R P_L = q_prim_qp(E_idx)%sf(x, y, z) P_R = q_prim_qp(E_idx)%sf(x + offsets(1), y + offsets(2), z + offsets(3)) @@ -237,8 +236,8 @@ contains !$acc loop seq do i = chemxb, chemxe mass_diffusivities_mixavg_Cell(i - chemxb + 1) = & - (mass_diffusivities_mixavg2(i - chemxb + 1) + mass_diffusivities_mixavg1(i - chemxb + 1)) / & - 2.0_wp * (1.0_wp - Xs_cell(i - chemxb + 1))/(1.0_wp - Ys_cell(i - chemxb + 1)) + (mass_diffusivities_mixavg2(i - chemxb + 1) + mass_diffusivities_mixavg1(i - chemxb + 1))/ & + 2.0_wp*(1.0_wp - Xs_cell(i - chemxb + 1))/(1.0_wp - Ys_cell(i - chemxb + 1)) end do lamda_Cell = 0.5_wp*(lamda_R + lamda_L) @@ -246,13 +245,13 @@ contains ! Calculate mass diffusion fluxes rho_Vic = 0.0_wp Mass_Diffu_Energy = 0.0_wp - + !$acc loop seq do eqn = chemxb, chemxe - Mass_Diffu_Flux(eqn - chemxb + 1) = rho_cell * mass_diffusivities_mixavg_Cell(eqn - chemxb + 1) * & - molecular_weights(eqn - chemxb + 1) / MW_cell * dXk_dxi(eqn - chemxb + 1) + Mass_Diffu_Flux(eqn - chemxb + 1) = rho_cell*mass_diffusivities_mixavg_Cell(eqn - chemxb + 1)* & + molecular_weights(eqn - chemxb + 1)/MW_cell*dXk_dxi(eqn - chemxb + 1) rho_Vic = rho_Vic + Mass_Diffu_Flux(eqn - chemxb + 1) - Mass_Diffu_Energy = Mass_Diffu_Energy + h_k(eqn - chemxb + 1) * Mass_Diffu_Flux(eqn - chemxb + 1) + Mass_Diffu_Energy = Mass_Diffu_Energy + h_k(eqn - chemxb + 1)*Mass_Diffu_Flux(eqn - chemxb + 1) end do ! Apply corrections for mass conservation diff --git a/src/pre_process/include/1dHardcodedIC.fpp b/src/pre_process/include/1dHardcodedIC.fpp index 3d3085f20b..212022b9ea 100644 --- a/src/pre_process/include/1dHardcodedIC.fpp +++ b/src/pre_process/include/1dHardcodedIC.fpp @@ -1,96 +1,12 @@ #:def Hardcoded1DVariables() - - integer, parameter :: nFiles = 14 ! Can be changed to any number - integer, parameter :: nRows = 1001! - integer :: f, iter, ios, unit, idx - real(8) :: x_len, x_step - character(len=100), dimension(nFiles) :: fileNames - ! Arrays to store all data from files - read once, use many times - real(kind(0d0)), dimension(nRows, nFiles) :: stored_values - real(kind(0d0)), dimension(nRows) :: x_coords - logical :: files_loaded = .false. - real(kind(0d0)) :: domain_start, domain_end - character(len=*), parameter :: init_dir = "/home/pain/ChemMFC/examples/Initial/" - character(len=20) :: file_num_str ! For storing the file number as a string - character(len=20) :: zeros_part ! For the trailing zeros part - character(len=6), parameter :: zeros_default = "000000" ! Default zeros (can be changed) - - ! Generate file names dynamically in a loop - do f = 1, nFiles - ! Convert file number to string with proper formatting - if (f < 10) then - write(file_num_str, '(I1)') f ! Single digit - else - write(file_num_str, '(I2)') f ! Double digit - ! For more than 99 files, you might need to adjust this format - end if - - if (f == 15) then - fileNames(f) = trim(init_dir) // "T.15.00." // zeros_default // ".dat" - else - fileNames(f) = trim(init_dir) // "prim." // trim(file_num_str) // ".00." // zeros_default // ".dat" - end if - - ! Create the filename with the pattern "prim.X.00.000000.dat" - end do! Place any declaration of intermediate variables here +! Place any declaration of intermediate variables here #:enddef #:def Hardcoded1D() select case (patch_icpp(patch_id)%hcid) - case(102) - - - !call execute_command_line("pwd", wait=.true.) - - if (.not. files_loaded) then - ! Print status message - print *, "Loading all data files..." - - do f = 1, nFiles - ! Open the file for reading - open(newunit=unit, file=trim(fileNames(f)), status='old', action='read', iostat=ios) - if (ios /= 0) then - print *, "Error opening file: ", trim(fileNames(f)) - cycle ! Skip this file on error - endif - - ! Read all rows at once into memory - do iter = 1, nRows - read(unit, *, iostat=ios) x_coords(iter), stored_values(iter, f) - if (ios /= 0) then - print *, "Error reading file ", trim(fileNames(f)), " at row ", iter - exit ! Exit loop on error - endif - end do - close(unit) - end do - - ! Calculate domain information for mapping - domain_start = x_coords(1) - domain_end = x_coords(nRows) - x_step = (domain_end - domain_start) / (nRows - 1) - - print *, "All data files loaded. Domain range:", domain_start, "to", domain_end - files_loaded = .true. - endif - - ! Simple direct mapping - find the closest index without interpolation - idx = nint((x_cc(i) - domain_start) / x_step) + 1 - - ! Boundary protection - ! if (idx < 1) idx = 1 - ! if (idx > nRows) idx = nRows - - ! Assign values directly from stored data for each file - do f = 1, nFiles - q_prim_vf(f)%sf(i, 0, 0) = stored_values(i+1, f) - end do - - case (100) - ! Put your variable assignments here case default call s_int_to_str(patch_id, iStr) call s_mpi_abort("Invalid hcid specified for patch "//trim(iStr)) diff --git a/src/pre_process/include/2dHardcodedIC.fpp b/src/pre_process/include/2dHardcodedIC.fpp index 7b388c9d97..950f45f23e 100644 --- a/src/pre_process/include/2dHardcodedIC.fpp +++ b/src/pre_process/include/2dHardcodedIC.fpp @@ -4,43 +4,6 @@ real(wp) :: r, rmax, gam, umax, p0 real(wp) :: rhoH, rhoL, pRef, pInt, h, lam, wl, amp, intH, intL, alph real(wp) :: factor - integer :: Nx1,Nx2,Ny1,Ny2,Ny3,Ny4,Ny5,Ny6,mpi_size,ierr,global_idx - integer :: mpi_rank,lol,idx,stdout,i_min,i_max,local_x_min,local_x_max -integer :: local_start, local_end, local_n - - integer, parameter :: nFiles = 14 - integer, parameter :: xRows = 1001 - integer, parameter :: Nrows = xRows - - ! Variables for file reading and domain data - real(wp) :: domain_start, domain_end, x_step - real(wp), dimension(Nrows) :: x_coords - real(wp), dimension(Nrows, nFiles) :: stored_values - character(len=100), dimension(nFiles) :: fileNames - character(len=20) :: file_num_str - character(len=6), parameter :: zeros_default = "000000" - character(len=*), parameter :: init_dir = "/u/dadam/MFC-Adam/examples/1D_reacting_shocktube/" - integer :: f, iter, ios, unit - logical :: files_loaded - files_loaded=.false. - eps = 1e-9_wp - do f = 1, nFiles - ! Convert file number to string with proper formatting - if (f < 10) then - write(file_num_str, '(I1)') f ! Single digit - else - write(file_num_str, '(I2)') f ! Double digit - ! For more than 99 files, you might need to adjust this format - end if - - ! Create the filename with the pattern "prim.X.00.000000.dat" - if (f == 15) then - fileNames(f) = trim(init_dir) // "T.15.00." // zeros_default // ".dat" - else - fileNames(f) = trim(init_dir) // "prim." // trim(file_num_str) // ".00." // zeros_default // ".dat" - end if - - end do #:enddef @@ -164,64 +127,7 @@ integer :: local_start, local_end, local_n q_prim_vf(advxb)%sf(i, j, 0) = patch_icpp(1)%alpha(1) q_prim_vf(advxe)%sf(i, j, 0) = patch_icpp(1)%alpha(2) end if - case (211) !2D Boundary Lido for multicomponent transport problems - - if (.not. files_loaded) then - ! Print status message - print *, "Loading all data files..." - - do f = 1, nFiles - ! Open the file for reading - open(newunit=unit, file=trim(fileNames(f)), status='old', action='read', iostat=ios) - if (ios /= 0) then - print *, "Error opening file: ", trim(fileNames(f)) - cycle ! Skip this file on error - endif - - ! Read all rows at once into memory - do iter = 1, nRows - read(unit, *, iostat=ios) x_coords(iter), stored_values(iter, f) - if (ios /= 0) then - print *, "Error reading file ", trim(fileNames(f)), " at row ", iter - exit ! Exit loop on error - endif - end do - close(unit) - end do - - ! Calculate domain information for mapping - domain_start = x_coords(1) - domain_end = x_coords(nRows) - x_step = (domain_end - domain_start) / (nRows - 1) - - print *, "All data files loaded. Domain range:", domain_start, "to", domain_end - files_loaded = .true. - - endif - - ! Simple direct mapping - find the closest index without interpolation - idx = nint((x_cc(i) - domain_start) / x_step) + 1 - - ! Boundary protection - ! if (idx < 1) idx = 1 - ! if (idx > nRows) idx = nRows - - ! Assign values directly from stored data for each file - do f = 1, nFiles - if (f > 2) then - lol = 1 - else - lol = 0 - end if - q_prim_vf(f+lol)%sf(i, j, 0) = stored_values(i+1, f) - end do - ! Set element 3 to zero (as requested) - q_prim_vf(3)%sf(i, j, 0) = 0.0_wp - ! print *, y_cc(0) - if (x_cc(i) .ge. 0.010378) then - q_prim_vf(2)%sf(i,j,0)=q_prim_vf(2)%sf(i,j,0)+(0.1_wp*94.67*10**(-6))*sin(2.0_wp*pi*(y_cc(j)*6.0_wp/(0.015147_wp/2.0_wp))) - end if case (250) ! MHD Orszag-Tang vortex ! gamma = 5/3 ! rho = 25/(36*pi) diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 5ea879fd9a..7c41014d13 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -531,7 +531,7 @@ contains & idwbuff(2)%beg:idwbuff(2)%end, & & idwbuff(3)%beg:idwbuff(3)%end)) end do - if (chem_params%diffusion .and. .not. viscous) then + if (chem_params%diffusion .and. .not. viscous) then @:ALLOCATE(flux_src_n(i)%vf(E_idx)%sf( & & idwbuff(1)%beg:idwbuff(1)%end, & & idwbuff(2)%beg:idwbuff(2)%end, & @@ -804,10 +804,10 @@ contains call nvtxEndRange ! RHS for diffusion if (chemistry .and. chem_params%diffusion) then - call nvtxStartRange("RHS-CHEM-DIFFUSION") - call s_compute_chemistry_diffusion_flux(id, q_prim_qp%vf, flux_src_n(id)%vf, irx, iry, irz) - call nvtxEndRange - end if + call nvtxStartRange("RHS-CHEM-DIFFUSION") + call s_compute_chemistry_diffusion_flux(id, q_prim_qp%vf, flux_src_n(id)%vf, irx, iry, irz) + call nvtxEndRange + end if ! RHS additions for viscosity if (viscous .or. surface_tension .or. chem_params%diffusion) then @@ -1437,12 +1437,12 @@ contains rhs_vf(i)%sf(j, k, l) = & rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & (flux_src_n(i)%sf(j - 1, k, l) & - - flux_src_n(i)%sf(j, k, l)) + - flux_src_n(i)%sf(j, k, l)) end do end do end do end do - end if + end if if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) @@ -1452,23 +1452,22 @@ contains !$acc loop seq do i = chemxb, chemxe rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & - (flux_src_n(i)%sf(j - 1, k, l) & - - flux_src_n(i)%sf(j, k, l)) + rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & + (flux_src_n(i)%sf(j - 1, k, l) & + - flux_src_n(i)%sf(j, k, l)) end do if (.not. viscous) then rhs_vf(E_idx)%sf(j, k, l) = & - rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dx(j)* & - (flux_src_n(E_idx)%sf(j - 1, k, l) & - - flux_src_n(E_idx)%sf(j, k, l)) + rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dx(j)* & + (flux_src_n(E_idx)%sf(j - 1, k, l) & + - flux_src_n(E_idx)%sf(j, k, l)) end if end do end do end do end if - elseif (idir == 2) then ! y-direction if (surface_tension) then @@ -1535,7 +1534,7 @@ contains end do else - + if (viscous .or. surface_tension) then !$acc parallel loop collapse(3) gang vector default(present) do l = 0, p @@ -1546,13 +1545,13 @@ contains rhs_vf(i)%sf(j, k, l) = & rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & (flux_src_n(i)%sf(j, k - 1, l) & - - flux_src_n(i)%sf(j, k, l)) + - flux_src_n(i)%sf(j, k, l)) end do end do end do end do end if - + if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) do l = 0, p @@ -1561,15 +1560,15 @@ contains !$acc loop seq do i = chemxb, chemxe rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & - (flux_src_n(i)%sf(j, k - 1, l) & - - flux_src_n(i)%sf(j, k, l)) + rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & + (flux_src_n(i)%sf(j, k - 1, l) & + - flux_src_n(i)%sf(j, k, l)) end do if (.not. viscous) then rhs_vf(E_idx)%sf(j, k, l) = & - rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dy(k)* & - (flux_src_n(E_idx)%sf(j, k - 1, l) & - - flux_src_n(E_idx)%sf(j, k, l)) + rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dy(k)* & + (flux_src_n(E_idx)%sf(j, k - 1, l) & + - flux_src_n(E_idx)%sf(j, k, l)) end if end do end do @@ -1657,13 +1656,13 @@ contains rhs_vf(i)%sf(j, k, l) = & rhs_vf(i)%sf(j, k, l) + 1._wp/dz(l)* & (flux_src_n(i)%sf(j, k, l - 1) & - - flux_src_n(i)%sf(j, k, l)) + - flux_src_n(i)%sf(j, k, l)) end do end do end do end do end if - + if (chem_params%diffusion) then !$acc parallel loop collapse(3) gang vector default(present) do l = 0, p @@ -1672,15 +1671,15 @@ contains !$acc loop seq do i = chemxb, chemxe rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dz(l)* & - (flux_src_n(i)%sf(j , k, l - 1) & - - flux_src_n(i)%sf(j, k, l)) + rhs_vf(i)%sf(j, k, l) + 1._wp/dz(l)* & + (flux_src_n(i)%sf(j, k, l - 1) & + - flux_src_n(i)%sf(j, k, l)) end do if (.not. viscous) then rhs_vf(E_idx)%sf(j, k, l) = & - rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dz(l)* & - (flux_src_n(E_idx)%sf(j, k, l - 1) & - - flux_src_n(E_idx)%sf(j, k, l)) + rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dz(l)* & + (flux_src_n(E_idx)%sf(j, k, l - 1) & + - flux_src_n(E_idx)%sf(j, k, l)) end if end do end do diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index dbf6ca9c20..0b890c3f20 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -47,7 +47,6 @@ module m_riemann_solvers get_species_specific_heats_r, get_species_enthalpies_rt, & get_mixture_specific_heat_cp_mass, get_mixture_viscosity_mixavg - implicit none private; public :: s_initialize_riemann_solvers_module, & @@ -3865,7 +3864,7 @@ contains do l = is3%beg, is3%end do k = is2%beg, is2%end do j = is1%beg, is1%end - if (i .eq. E_idx .or. i .ge. chemxb) then + if (i == E_idx .or. i >= chemxb) then flux_src_vf(i)%sf(j, k, l) = 0._wp end if end do @@ -3910,7 +3909,7 @@ contains do l = is3%beg, is3%end do j = is1%beg, is1%end do k = is2%beg, is2%end - if (i .eq. E_idx .or. i .ge. chemxb) then + if (i == E_idx .or. i >= chemxb) then flux_src_vf(i)%sf(k, j, l) = 0._wp end if end do @@ -3954,7 +3953,7 @@ contains do j = is1%beg, is1%end do k = is2%beg, is2%end do l = is3%beg, is3%end - if (i .eq. E_idx .or. i .ge. chemxb) then + if (i == E_idx .or. i >= chemxb) then flux_src_vf(i)%sf(l, k, j) = 0._wp end if end do From 1f126d665745120c1436c444ca6f24ff246033b0 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 16 Jun 2025 10:40:54 -0400 Subject: [PATCH 15/43] Small Changes V2 --- src/pre_process/include/1dHardcodedIC.fpp | 5 +++-- src/pre_process/include/2dHardcodedIC.fpp | 2 ++ 2 files changed, 5 insertions(+), 2 deletions(-) diff --git a/src/pre_process/include/1dHardcodedIC.fpp b/src/pre_process/include/1dHardcodedIC.fpp index 212022b9ea..eece439b0d 100644 --- a/src/pre_process/include/1dHardcodedIC.fpp +++ b/src/pre_process/include/1dHardcodedIC.fpp @@ -1,12 +1,13 @@ #:def Hardcoded1DVariables() - -! Place any declaration of intermediate variables here + ! Place any declaration of intermediate variables here #:enddef #:def Hardcoded1D() select case (patch_icpp(patch_id)%hcid) + case(100) + ! Put your variable assignments here case default call s_int_to_str(patch_id, iStr) call s_mpi_abort("Invalid hcid specified for patch "//trim(iStr)) diff --git a/src/pre_process/include/2dHardcodedIC.fpp b/src/pre_process/include/2dHardcodedIC.fpp index 950f45f23e..e4bf547999 100644 --- a/src/pre_process/include/2dHardcodedIC.fpp +++ b/src/pre_process/include/2dHardcodedIC.fpp @@ -5,6 +5,8 @@ real(wp) :: rhoH, rhoL, pRef, pInt, h, lam, wl, amp, intH, intL, alph real(wp) :: factor + eps = 1e-9_wp + #:enddef #:def Hardcoded2D() From 8b63895c2596742b17062e30a65558c9a4125314 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 16 Jun 2025 10:42:11 -0400 Subject: [PATCH 16/43] ... --- src/pre_process/include/1dHardcodedIC.fpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pre_process/include/1dHardcodedIC.fpp b/src/pre_process/include/1dHardcodedIC.fpp index eece439b0d..01e9a4d565 100644 --- a/src/pre_process/include/1dHardcodedIC.fpp +++ b/src/pre_process/include/1dHardcodedIC.fpp @@ -6,7 +6,7 @@ #:def Hardcoded1D() select case (patch_icpp(patch_id)%hcid) - case(100) + case (100) ! Put your variable assignments here case default call s_int_to_str(patch_id, iStr) From b7ff1db86fddf71a43d9d035b9a313c015bbac59 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 16 Jun 2025 10:48:48 -0400 Subject: [PATCH 17/43] Spelling --- src/common/m_chemistry.fpp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index bde5ddbbf6..15c0d0e90e 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -151,7 +151,7 @@ contains real(wp), dimension(num_species) :: Mass_Diffu_Flux real(wp) :: Mass_Diffu_Energy real(wp) :: MW_L, MW_R, MW_cell, Rgas_L, Rgas_R, T_L, T_R, P_L, P_R, rho_L, rho_R, rho_cell, rho_Vic - real(wp) :: lamda_L, lamda_R, lamda_Cell, dT_dxi, grid_spacing + real(wp) :: lambda_L, lambda_R, lambda_Cell, dT_dxi, grid_spacing integer :: x, y, z, i, n, eqn integer, dimension(3) :: offsets @@ -216,8 +216,8 @@ contains call get_species_mass_diffusivities_mixavg(P_L, T_L, Ys_L, mass_diffusivities_mixavg1) call get_species_mass_diffusivities_mixavg(P_R, T_R, Ys_R, mass_diffusivities_mixavg2) - call get_mixture_thermal_conductivity_mixavg(T_L, Ys_L, lamda_L) - call get_mixture_thermal_conductivity_mixavg(T_R, Ys_R, lamda_R) + call get_mixture_thermal_conductivity_mixavg(T_L, Ys_L, lambda_L) + call get_mixture_thermal_conductivity_mixavg(T_R, Ys_R, lambda_R) call get_species_enthalpies_rt(T_L, h_l) call get_species_enthalpies_rt(T_R, h_r) @@ -240,7 +240,7 @@ contains 2.0_wp*(1.0_wp - Xs_cell(i - chemxb + 1))/(1.0_wp - Ys_cell(i - chemxb + 1)) end do - lamda_Cell = 0.5_wp*(lamda_R + lamda_L) + lambda_Cell = 0.5_wp*(lambda_R + lambda_L) ! Calculate mass diffusion fluxes rho_Vic = 0.0_wp @@ -262,7 +262,7 @@ contains end do ! Add thermal conduction contribution - Mass_Diffu_Energy = lamda_Cell*dT_dxi + Mass_Diffu_Energy + Mass_Diffu_Energy = lambda_Cell*dT_dxi + Mass_Diffu_Energy ! Update flux arrays flux_src_vf(E_idx)%sf(x, y, z) = flux_src_vf(E_idx)%sf(x, y, z) - Mass_Diffu_Energy From 98980bda7e075ce2e179c4120db38294ea366d35 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sat, 21 Jun 2025 13:38:43 -0400 Subject: [PATCH 18/43] Refactoring and Deallocation --- examples/1D_MultiComponent_Diffusion/case.py | 90 +++++++++ .../1D_MultiComponent_Diffusion/grigri.yaml | 108 +++++++++++ src/common/m_chemistry.fpp | 15 +- src/simulation/m_rhs.fpp | 4 + src/simulation/m_riemann_solvers.fpp | 12 +- tests/A745163D/golden-metadata.txt | 182 ++++++++++++++++++ tests/A745163D/golden.txt | 32 +++ toolchain/mfc/test/case.py | 16 ++ toolchain/mfc/test/cases.py | 5 + 9 files changed, 454 insertions(+), 10 deletions(-) create mode 100644 examples/1D_MultiComponent_Diffusion/case.py create mode 100644 examples/1D_MultiComponent_Diffusion/grigri.yaml create mode 100644 tests/A745163D/golden-metadata.txt create mode 100644 tests/A745163D/golden.txt diff --git a/examples/1D_MultiComponent_Diffusion/case.py b/examples/1D_MultiComponent_Diffusion/case.py new file mode 100644 index 0000000000..4754246108 --- /dev/null +++ b/examples/1D_MultiComponent_Diffusion/case.py @@ -0,0 +1,90 @@ +#!/usr/bin/env python3 + +# References: +# + DOI: 10.2514/6.2020-1751: IV.B. Multi-component diffusion + +import json +import argparse +import math + +import cantera as ct + +parser = argparse.ArgumentParser( + prog="1D_MultiComponent_Diffusion", + formatter_class=argparse.ArgumentDefaultsHelpFormatter) + +parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", + help="MFC's toolchain's internal state.") +parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", + help="Disable chemistry.") + +args = parser.parse_args() + +ctfile = 'grigri.yaml' + +L = 0.05 +Nx = 100 +dx = L / Nx +dt = 0.3e-6 +Tend = 0.05 + +NT = int(Tend / dt) +SAVE_COUNT = 2000 +NS = 2000 +case = { + 'run_time_info' : 'T', + 'x_domain%beg' : 0, + 'x_domain%end' : +L, + 'm' : Nx, + 'n' : 0, + 'p' : 0, + 'dt' : float(dt), + 't_step_start' : 0, + 't_step_stop' : NT, + 't_step_save' : NS, + 't_step_print' : NS, + 'parallel_io' : 'F', + 'model_eqns' : 2, + 'num_fluids' : 1, + 'num_patches' : 1, + 'mpp_lim' : 'F', + 'mixture_err' : 'F', + 'time_stepper' : 3, + 'weno_order' : 5, + 'weno_eps' : 1E-16, + 'weno_avg' : 'F', + 'mapped_weno' : 'T', + 'mp_weno' : 'T', + 'riemann_solver' : 2, + 'wave_speeds' : 2, + 'avg_state' : 1, + 'bc_x%beg' :-1, + 'bc_x%end' :-1, + 'chemistry' : 'T' if not args.chemistry else 'T', + 'chem_params%diffusion' : 'T', + 'chem_params%reactions' : 'F', + 'format' : 1, + 'precision' : 2, + 'prim_vars_wrt' : 'T', + 'patch_icpp(1)%geometry' : 1, + 'patch_icpp(1)%x_centroid' : L/2, + 'patch_icpp(1)%length_x' : L, + 'patch_icpp(1)%vel(1)' : '0', + 'patch_icpp(1)%pres' : 1.01325e5, + 'patch_icpp(1)%alpha(1)' : 1, + 'patch_icpp(1)%Y(1)' : '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142', + 'patch_icpp(1)%Y(2)' : '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1', + 'patch_icpp(1)%Y(3)' : '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0', + 'patch_icpp(1)%Y(4)' : '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758', + 'patch_icpp(1)%alpha_rho(1)' : '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', + + 'fluid_pp(1)%gamma' : 1.0E+00/(1.9326E+00-1.0E+00), + 'fluid_pp(1)%pi_inf' : 0, + 'cantera_file' : ctfile, +} + +if args.chemistry: + for i in range(4): + case[f'chem_wrt_Y({i + 1})'] = 'T' +if __name__ == '__main__': + print(json.dumps(case)) diff --git a/examples/1D_MultiComponent_Diffusion/grigri.yaml b/examples/1D_MultiComponent_Diffusion/grigri.yaml new file mode 100644 index 0000000000..177cd323b5 --- /dev/null +++ b/examples/1D_MultiComponent_Diffusion/grigri.yaml @@ -0,0 +1,108 @@ +description: |- + GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format + See README30 file at anonymous FTP site unix.sri.com, directory gri; + WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or + through http://www.gri.org , under 'Basic Research', + for additional information, contacts, and disclaimer + + Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html + +generator: ck2yaml +input-files: [gri30.inp, gri30_thermo.dat, gri30_tran.dat] +cantera-version: 2.5.0 +date: Wed, 11 Dec 2019 16:59:02 -0500 + +units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} + +phases: +- name: gri30 + thermo: ideal-gas + elements: [O, H, C, N] + species: [O2, H2O, CH4, N2] + kinetics: gas + transport: mixture-averaged + state: {T: 300.0, P: 1 atm} + +species: +- name: O2 + composition: {O: 2} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, + -1063.94356, 3.65767573] + - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14, + -1088.45772, 5.45323129] + note: TPIS89 + transport: + model: gas + geometry: linear + well-depth: 107.4 + diameter: 3.458 + polarizability: 1.6 + rotational-relaxation: 3.8 +- name: H2O + composition: {H: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12, + -3.02937267e+04, -0.849032208] + - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14, + -3.00042971e+04, 4.9667701] + note: L8/89 + transport: + model: gas + geometry: nonlinear + well-depth: 572.4 + diameter: 2.605 + dipole: 1.844 + rotational-relaxation: 4.0 +- name: CH4 + composition: {C: 1, H: 4} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11, + -1.02466476e+04, -4.64130376] + - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13, + -9468.34459, 18.437318] + note: L8/88 + transport: + model: gas + geometry: nonlinear + well-depth: 141.4 + diameter: 3.746 + polarizability: 2.6 + rotational-relaxation: 13.0 +- name: N2 + composition: {N: 2} + thermo: + model: NASA7 + temperature-ranges: [300.0, 1000.0, 5000.0] + data: + - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, + -1020.8999, 3.950372] + - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, + -922.7977, 5.980528] + note: '121286' + transport: + model: gas + geometry: linear + well-depth: 97.53 + diameter: 3.621 + polarizability: 1.76 + rotational-relaxation: 4.0 + +reactions: +- equation: CH4 <=> CH4 # Reaction 1 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: N2 <=> N2 # Reaction 2 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: H2O <=> H2O # Reaction 3 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: O2 <=> O2 # Reaction 4 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} \ No newline at end of file diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index 15c0d0e90e..6a42fcff1e 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -12,7 +12,8 @@ module m_chemistry num_species, molecular_weights, get_temperature, get_net_production_rates, & get_mole_fractions, get_species_binary_mass_diffusivities, & get_species_mass_diffusivities_mixavg, gas_constant, get_mixture_molecular_weight, & - get_mixture_energy_mass, get_mixture_thermal_conductivity_mixavg, get_species_enthalpies_rt + get_mixture_energy_mass, get_mixture_thermal_conductivity_mixavg, get_species_enthalpies_rt, & + get_mixture_viscosity_mixavg use m_global_parameters @@ -25,6 +26,18 @@ module m_chemistry !$acc declare create(offsets) contains + subroutine compute_viscosity_and_inversion(T_L, Ys_L, T_R, Ys_R, Re_L, Re_R) + + real(wp), intent(inout) :: T_L, T_R, Re_L, Re_R + real(wp), dimension(num_species), intent(inout) :: Ys_R, Ys_L + + call get_mixture_viscosity_mixavg(T_L, Ys_L, Re_L) + call get_mixture_viscosity_mixavg(T_R, Ys_R, Re_R) + Re_L = 1.0_wp/Re_L + Re_R = 1.0_wp/Re_R + + end subroutine compute_viscosity_and_inversion + subroutine s_compute_q_T_sf(q_T_sf, q_cons_vf, bounds) ! Initialize the temperature field at the start of the simulation to diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 070c2997a2..83645bf409 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -1984,6 +1984,10 @@ contains end do end if + if (chem_params%diffusion .and. .not. viscous) + @:DEALLOCATE(flux_src_n(i)%vf(E_idx)%sf) + end if + if (riemann_solver == 1 .or. riemann_solver == 4) then do l = adv_idx%beg + 1, adv_idx%end @:DEALLOCATE(flux_src_n(i)%vf(l)%sf) diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 168d71f0d1..06f8083ea0 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -47,7 +47,7 @@ module m_riemann_solvers gas_constant, get_mixture_molecular_weight, & get_mixture_specific_heat_cv_mass, get_mixture_energy_mass, & get_species_specific_heats_r, get_species_enthalpies_rt, & - get_mixture_specific_heat_cp_mass, get_mixture_viscosity_mixavg + get_mixture_specific_heat_cp_mass implicit none @@ -677,10 +677,7 @@ contains if (viscous) then if (chemistry) then - call get_mixture_viscosity_mixavg(T_L, Ys_L, Re_L(1)) - call get_mixture_viscosity_mixavg(T_R, Ys_R, Re_R(1)) - Re_L(1) = 1.0_wp/Re_L(1) - Re_R(1) = 1.0_wp/Re_R(1) + call compute_viscosity_and_inversion(T_L, Ys_L, T_R, Ys_R, Re_L(1), Re_R(1)) end if !$acc loop seq do i = 1, 2 @@ -2692,10 +2689,7 @@ contains if (viscous) then if (chemistry) then - call get_mixture_viscosity_mixavg(T_L, Ys_L, Re_L(1)) - call get_mixture_viscosity_mixavg(T_R, Ys_R, Re_R(1)) - Re_L(1) = 1.0_wp/Re_L(1) - Re_R(1) = 1.0_wp/Re_R(1) + call compute_viscosity_and_inversion(T_L, Ys_L, T_R, Ys_R, Re_L(1), Re_R(1)) end if !$acc loop seq do i = 1, 2 diff --git a/tests/A745163D/golden-metadata.txt b/tests/A745163D/golden-metadata.txt new file mode 100644 index 0000000000..431f89c6ca --- /dev/null +++ b/tests/A745163D/golden-metadata.txt @@ -0,0 +1,182 @@ +This file was created on 2025-06-21 13:17:12.223683. + +mfc.sh: + + Invocation: test -o MultiComponent_Diffusion --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: 59ca1c7cfb150df77a391ade801c25e44deec67c on Diffusion (dirty) + +pre_process: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +post_process: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Release + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 39 bits physical, 48 bits virtual + Byte Order: Little Endian + CPU(s): 20 + On-line CPU(s) list: 0-19 + Vendor ID: GenuineIntel + Model name: 12th Gen Intel(R) Core(TM) i7-12700H + CPU family: 6 + Model: 154 + Thread(s) per core: 2 + Core(s) per socket: 10 + Socket(s): 1 + Stepping: 3 + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities + Virtualization: VT-x + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) + L3 cache: 24 MiB (1 instance) + Vulnerability Gather data sampling: Not affected + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Not affected + Vulnerability Reg file data sampling: Mitigation; Clear Register File + Vulnerability Retbleed: Mitigation; Enhanced IBRS + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S + Vulnerability Srbds: Not affected + Vulnerability Tsx async abort: Not affected + diff --git a/tests/A745163D/golden.txt b/tests/A745163D/golden.txt new file mode 100644 index 0000000000..d252ca5093 --- /dev/null +++ b/tests/A745163D/golden.txt @@ -0,0 +1,32 @@ +D/cons.1.00.000000.dat 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 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self.params.get("MultiComponent_Diffusion", 'F') == 'T': + input_chemistry_diffusion(self) + mfc_script = ".\\mfc.bat" if os.name == 'nt' else "./mfc.sh" target_names = [ get_target(t).name for t in targets ] @@ -382,3 +385,16 @@ def copy_input_lagrange(path_example_input, path_test): os.mkdir(folder_path_dest) shutil.copyfile(file_path_src, fite_path_dest) + +def input_chemistry_diffusion(self): + if "MultiComponent_Diffusion" in self.trace: + copy_input_lagrange(f'/1D_MultiComponent_Diffusion',f'{self.get_dirpath()}') + +def create_input_diffusion(path_test): + folder_path_lagrange = path_test + file_path_lagrange = folder_path_lagrange + '/grigri.yaml' + +def copy_input_diffusion(path_example_input, path_test): + folder_path_dest = path_test + fite_path_dest = folder_path_dest + 'grigri.yaml' + file_path_src = common.MFC_EXAMPLE_DIRPATH + path_example_input + '/grigri.yaml' diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 77659d7da6..6ae3af337b 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -1007,6 +1007,11 @@ def chemistry_cases(): }, override_tol=1 )) + cases.append(define_case_f( + f'1D -> Chemistry -> MultiComponent_Diffusion ', + 'examples/1D_MultiComponent_Diffusion', + mods=common_mods + )) foreach_dimension() From 2cd25d3d38c31b55eb91f4fa95a92d2dd6527181 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sat, 21 Jun 2025 13:44:04 -0400 Subject: [PATCH 19/43] Small Stuff --- src/simulation/m_rhs.fpp | 2 +- tests/A745163D/golden-metadata.txt | 22 +++++++++++----------- tests/A745163D/golden.txt | 2 +- toolchain/mfc/test/case.py | 6 +++--- 4 files changed, 16 insertions(+), 16 deletions(-) diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 4359375ac7..3c40af2c73 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -1984,7 +1984,7 @@ contains end do end if - if (chem_params%diffusion .and. .not. viscous) + if (chem_params%diffusion .and. .not. viscous) then @:DEALLOCATE(flux_src_n(i)%vf(E_idx)%sf) end if diff --git a/tests/A745163D/golden-metadata.txt b/tests/A745163D/golden-metadata.txt index 431f89c6ca..72594c2188 100644 --- a/tests/A745163D/golden-metadata.txt +++ b/tests/A745163D/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-06-21 13:17:12.223683. +This file was created on 2025-06-21 13:43:11.600883. mfc.sh: Invocation: test -o MultiComponent_Diffusion --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 59ca1c7cfb150df77a391ade801c25e44deec67c on Diffusion (dirty) + Git: 31ec1aaeaf61504f191a1a10fd3553438c16e03d on Diffusion (dirty) pre_process: @@ -39,7 +39,7 @@ pre_process: OMPI_CXX : OMPI_FC : -syscheck: +simulation: CMake Configuration: @@ -49,9 +49,9 @@ syscheck: Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) PRE_PROCESS : OFF - SIMULATION : OFF + SIMULATION : ON POST_PROCESS : OFF - SYSCHECK : ON + SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF @@ -72,7 +72,7 @@ syscheck: OMPI_CXX : OMPI_FC : -simulation: +post_process: CMake Configuration: @@ -82,8 +82,8 @@ simulation: Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF @@ -105,7 +105,7 @@ simulation: OMPI_CXX : OMPI_FC : -post_process: +syscheck: CMake Configuration: @@ -116,8 +116,8 @@ post_process: PRE_PROCESS : OFF SIMULATION : OFF - POST_PROCESS : ON - SYSCHECK : OFF + POST_PROCESS : OFF + SYSCHECK : ON DOCUMENTATION : OFF ALL : OFF diff --git a/tests/A745163D/golden.txt b/tests/A745163D/golden.txt index d252ca5093..094ac8a0fa 100644 --- a/tests/A745163D/golden.txt +++ b/tests/A745163D/golden.txt @@ -29,4 +29,4 @@ D/prim.6.00.000050.dat 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 D/prim.7.00.000000.dat 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 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0.59100001177977 0.59100001171046 0.59100001169932 0.59100001169767 0.59100001169744 0.59100001169742 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 diff --git a/toolchain/mfc/test/case.py b/toolchain/mfc/test/case.py index 3b0e75a3b1..be646b113b 100644 --- a/toolchain/mfc/test/case.py +++ b/toolchain/mfc/test/case.py @@ -388,11 +388,11 @@ def copy_input_lagrange(path_example_input, path_test): def input_chemistry_diffusion(self): if "MultiComponent_Diffusion" in self.trace: - copy_input_lagrange(f'/1D_MultiComponent_Diffusion',f'{self.get_dirpath()}') + copy_input_diffusion(f'/1D_MultiComponent_Diffusion',f'{self.get_dirpath()}') def create_input_diffusion(path_test): - folder_path_lagrange = path_test - file_path_lagrange = folder_path_lagrange + '/grigri.yaml' + folder_path_diffusion = path_test + file_path_diffusion = folder_path_diffusion + '/grigri.yaml' def copy_input_diffusion(path_example_input, path_test): folder_path_dest = path_test From 6cc8fec85954bbbde2f5a6a7dedc6e5d6506fe3b Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sat, 21 Jun 2025 13:45:41 -0400 Subject: [PATCH 20/43] Small Changes --- examples/1D_MultiComponent_Diffusion/case.py | 128 +++++++++---------- 1 file changed, 61 insertions(+), 67 deletions(-) diff --git a/examples/1D_MultiComponent_Diffusion/case.py b/examples/1D_MultiComponent_Diffusion/case.py index 4754246108..44cd550935 100644 --- a/examples/1D_MultiComponent_Diffusion/case.py +++ b/examples/1D_MultiComponent_Diffusion/case.py @@ -1,5 +1,4 @@ -#!/usr/bin/env python3 - +#!/usr/bin/env python3 # References: # + DOI: 10.2514/6.2020-1751: IV.B. Multi-component diffusion @@ -9,82 +8,77 @@ import cantera as ct -parser = argparse.ArgumentParser( - prog="1D_MultiComponent_Diffusion", - formatter_class=argparse.ArgumentDefaultsHelpFormatter) +parser = argparse.ArgumentParser(prog="1D_MultiComponent_Diffusion", formatter_class=argparse.ArgumentDefaultsHelpFormatter) -parser.add_argument("--mfc", type=json.loads, default='{}', metavar="DICT", - help="MFC's toolchain's internal state.") -parser.add_argument("--no-chem", dest='chemistry', default=True, action="store_false", - help="Disable chemistry.") +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC's toolchain's internal state.") +parser.add_argument("--no-chem", dest="chemistry", default=True, action="store_false", help="Disable chemistry.") args = parser.parse_args() -ctfile = 'grigri.yaml' +ctfile = "grigri.yaml" -L = 0.05 -Nx = 100 -dx = L / Nx -dt = 0.3e-6 +L = 0.05 +Nx = 100 +dx = L / Nx +dt = 0.3e-6 Tend = 0.05 -NT = int(Tend / dt) +NT = int(Tend / dt) SAVE_COUNT = 2000 -NS = 2000 +NS = 2000 case = { - 'run_time_info' : 'T', - 'x_domain%beg' : 0, - 'x_domain%end' : +L, - 'm' : Nx, - 'n' : 0, - 'p' : 0, - 'dt' : float(dt), - 't_step_start' : 0, - 't_step_stop' : NT, - 't_step_save' : NS, - 't_step_print' : NS, - 'parallel_io' : 'F', - 'model_eqns' : 2, - 'num_fluids' : 1, - 'num_patches' : 1, - 'mpp_lim' : 'F', - 'mixture_err' : 'F', - 'time_stepper' : 3, - 'weno_order' : 5, - 'weno_eps' : 1E-16, - 'weno_avg' : 'F', - 'mapped_weno' : 'T', - 'mp_weno' : 'T', - 'riemann_solver' : 2, - 'wave_speeds' : 2, - 'avg_state' : 1, - 'bc_x%beg' :-1, - 'bc_x%end' :-1, - 'chemistry' : 'T' if not args.chemistry else 'T', - 'chem_params%diffusion' : 'T', - 'chem_params%reactions' : 'F', - 'format' : 1, - 'precision' : 2, - 'prim_vars_wrt' : 'T', - 'patch_icpp(1)%geometry' : 1, - 'patch_icpp(1)%x_centroid' : L/2, - 'patch_icpp(1)%length_x' : L, - 'patch_icpp(1)%vel(1)' : '0', - 'patch_icpp(1)%pres' : 1.01325e5, - 'patch_icpp(1)%alpha(1)' : 1, - 'patch_icpp(1)%Y(1)' : '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142', - 'patch_icpp(1)%Y(2)' : '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1', - 'patch_icpp(1)%Y(3)' : '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0', - 'patch_icpp(1)%Y(4)' : '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758', - 'patch_icpp(1)%alpha_rho(1)' : '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', - - 'fluid_pp(1)%gamma' : 1.0E+00/(1.9326E+00-1.0E+00), - 'fluid_pp(1)%pi_inf' : 0, - 'cantera_file' : ctfile, + "run_time_info": "T", + "x_domain%beg": 0, + "x_domain%end": +L, + "m": Nx, + "n": 0, + "p": 0, + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": NS, + "parallel_io": "F", + "model_eqns": 2, + "num_fluids": 1, + "num_patches": 1, + "mpp_lim": "F", + "mixture_err": "F", + "time_stepper": 3, + "weno_order": 5, + "weno_eps": 1e-16, + "weno_avg": "F", + "mapped_weno": "T", + "mp_weno": "T", + "riemann_solver": 2, + "wave_speeds": 2, + "avg_state": 1, + "bc_x%beg": -1, + "bc_x%end": -1, + "chemistry": "T" if not args.chemistry else "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "F", + "format": 1, + "precision": 2, + "prim_vars_wrt": "T", + "patch_icpp(1)%geometry": 1, + "patch_icpp(1)%x_centroid": L / 2, + "patch_icpp(1)%length_x": L, + "patch_icpp(1)%vel(1)": "0", + "patch_icpp(1)%pres": 1.01325e5, + "patch_icpp(1)%alpha(1)": 1, + "patch_icpp(1)%Y(1)": "(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142", + "patch_icpp(1)%Y(2)": "(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1", + "patch_icpp(1)%Y(3)": "(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0", + "patch_icpp(1)%Y(4)": "(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758", + "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))", + "fluid_pp(1)%gamma": 1.0e00 / (1.9326e00 - 1.0e00), + "fluid_pp(1)%pi_inf": 0, + "cantera_file": ctfile, } if args.chemistry: for i in range(4): - case[f'chem_wrt_Y({i + 1})'] = 'T' -if __name__ == '__main__': + case[f"chem_wrt_Y({i + 1})"] = "T" +if __name__ == "__main__": print(json.dumps(case)) From 118633527c375a7827f49d10bd91a9033731e471 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sat, 21 Jun 2025 16:19:03 -0400 Subject: [PATCH 21/43] Chem ToolChain --- examples/1D_MultiComponent_Diffusion/case.py | 2 +- .../{ => input}/grigri.yaml | 0 examples/1D_reactive_shocktube/case.py | 22 +++++++++++-------- toolchain/mfc/test/case.py | 10 +++------ 4 files changed, 17 insertions(+), 17 deletions(-) rename examples/1D_MultiComponent_Diffusion/{ => input}/grigri.yaml (100%) diff --git a/examples/1D_MultiComponent_Diffusion/case.py b/examples/1D_MultiComponent_Diffusion/case.py index 44cd550935..3690ccb608 100644 --- a/examples/1D_MultiComponent_Diffusion/case.py +++ b/examples/1D_MultiComponent_Diffusion/case.py @@ -15,7 +15,7 @@ args = parser.parse_args() -ctfile = "grigri.yaml" +ctfile = "input/grigri.yaml" L = 0.05 Nx = 100 diff --git a/examples/1D_MultiComponent_Diffusion/grigri.yaml b/examples/1D_MultiComponent_Diffusion/input/grigri.yaml similarity index 100% rename from examples/1D_MultiComponent_Diffusion/grigri.yaml rename to examples/1D_MultiComponent_Diffusion/input/grigri.yaml diff --git a/examples/1D_reactive_shocktube/case.py b/examples/1D_reactive_shocktube/case.py index 8a8edce66d..cb33127e64 100644 --- a/examples/1D_reactive_shocktube/case.py +++ b/examples/1D_reactive_shocktube/case.py @@ -37,7 +37,7 @@ u_r = -487.34 L = 0.12 -Nx = 400 * args.scale +Nx = 100 * args.scale dx = L / Nx dt = dx / abs(u_r) * 0.02 Tend = 230e-6 @@ -50,16 +50,20 @@ # Logistics "run_time_info": "T", # Computational Domain Parameters - "x_domain%beg": 0, - "x_domain%end": L, + "x_domain%beg": -L/2, + "x_domain%end": L/2, + "stretch_x": "T", + "a_x": 20, + "x_a":- L/8, + "x_b": L/8, "m": Nx, "n": 0, "p": 0, "dt": float(dt), "t_step_start": 0, - "t_step_stop": NT, - "t_step_save": NS, - "t_step_print": NS, + "t_step_stop": 1, + "t_step_save": 1, + "t_step_print": 1, "parallel_io": "F" if args.mfc.get("mpi", True) else "F", # Simulation Algorithm Parameters "model_eqns": 2, @@ -89,14 +93,14 @@ "prim_vars_wrt": "T", "chem_wrt_T": "T", "patch_icpp(1)%geometry": 1, - "patch_icpp(1)%x_centroid": L / 4, - "patch_icpp(1)%length_x": L / 2, + "patch_icpp(1)%x_centroid": L/4, + "patch_icpp(1)%length_x": L/2 , "patch_icpp(1)%vel(1)": u_l, "patch_icpp(1)%pres": sol_L.P, "patch_icpp(1)%alpha(1)": 1, "patch_icpp(1)%alpha_rho(1)": sol_L.density, "patch_icpp(2)%geometry": 1, - "patch_icpp(2)%x_centroid": 3 * L / 4, + "patch_icpp(2)%x_centroid": - L / 4, "patch_icpp(2)%length_x": L / 2, "patch_icpp(2)%vel(1)": u_r, "patch_icpp(2)%pres": sol_R.P, diff --git a/toolchain/mfc/test/case.py b/toolchain/mfc/test/case.py index be646b113b..3825bc974a 100644 --- a/toolchain/mfc/test/case.py +++ b/toolchain/mfc/test/case.py @@ -390,11 +390,7 @@ def input_chemistry_diffusion(self): if "MultiComponent_Diffusion" in self.trace: copy_input_diffusion(f'/1D_MultiComponent_Diffusion',f'{self.get_dirpath()}') -def create_input_diffusion(path_test): - folder_path_diffusion = path_test - file_path_diffusion = folder_path_diffusion + '/grigri.yaml' - def copy_input_diffusion(path_example_input, path_test): - folder_path_dest = path_test - fite_path_dest = folder_path_dest + 'grigri.yaml' - file_path_src = common.MFC_EXAMPLE_DIRPATH + path_example_input + '/grigri.yaml' + folder_path_dest = path_test + '/input/' + file_path_dest = folder_path_dest + 'grigri.yaml' + file_path_src = common.MFC_EXAMPLE_DIRPATH + path_example_input + '/input/grigri.yaml' From 2ccbc6dccae0b2424bb2d0e06ab46b5b99a3c93f Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sat, 21 Jun 2025 16:36:51 -0400 Subject: [PATCH 22/43] ... --- examples/1D_MultiComponent_Diffusion/case.py | 4 +- .../input/grigri.yaml | 108 ------------------ examples/1D_reactive_shocktube/case.py | 18 +-- tests/A745163D/golden-metadata.txt | 28 ++--- tests/A745163D/golden.txt | 2 +- 5 files changed, 26 insertions(+), 134 deletions(-) delete mode 100644 examples/1D_MultiComponent_Diffusion/input/grigri.yaml diff --git a/examples/1D_MultiComponent_Diffusion/case.py b/examples/1D_MultiComponent_Diffusion/case.py index 3690ccb608..3f102300be 100644 --- a/examples/1D_MultiComponent_Diffusion/case.py +++ b/examples/1D_MultiComponent_Diffusion/case.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python3 +#!/usr/bin/env python3 # References: # + DOI: 10.2514/6.2020-1751: IV.B. Multi-component diffusion @@ -15,7 +15,7 @@ args = parser.parse_args() -ctfile = "input/grigri.yaml" +ctfile = "input/grigri.dat" L = 0.05 Nx = 100 diff --git a/examples/1D_MultiComponent_Diffusion/input/grigri.yaml b/examples/1D_MultiComponent_Diffusion/input/grigri.yaml deleted file mode 100644 index 177cd323b5..0000000000 --- a/examples/1D_MultiComponent_Diffusion/input/grigri.yaml +++ /dev/null @@ -1,108 +0,0 @@ -description: |- - GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format - See README30 file at anonymous FTP site unix.sri.com, directory gri; - WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or - through http://www.gri.org , under 'Basic Research', - for additional information, contacts, and disclaimer - - Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html - -generator: ck2yaml -input-files: [gri30.inp, gri30_thermo.dat, gri30_tran.dat] -cantera-version: 2.5.0 -date: Wed, 11 Dec 2019 16:59:02 -0500 - -units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} - -phases: -- name: gri30 - thermo: ideal-gas - elements: [O, H, C, N] - species: [O2, H2O, CH4, N2] - kinetics: gas - transport: mixture-averaged - state: {T: 300.0, P: 1 atm} - -species: -- name: O2 - composition: {O: 2} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, - -1063.94356, 3.65767573] - - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14, - -1088.45772, 5.45323129] - note: TPIS89 - transport: - model: gas - geometry: linear - well-depth: 107.4 - diameter: 3.458 - polarizability: 1.6 - rotational-relaxation: 3.8 -- name: H2O - composition: {H: 2, O: 1} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12, - -3.02937267e+04, -0.849032208] - - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14, - -3.00042971e+04, 4.9667701] - note: L8/89 - transport: - model: gas - geometry: nonlinear - well-depth: 572.4 - diameter: 2.605 - dipole: 1.844 - rotational-relaxation: 4.0 -- name: CH4 - composition: {C: 1, H: 4} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11, - -1.02466476e+04, -4.64130376] - - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13, - -9468.34459, 18.437318] - note: L8/88 - transport: - model: gas - geometry: nonlinear - well-depth: 141.4 - diameter: 3.746 - polarizability: 2.6 - rotational-relaxation: 13.0 -- name: N2 - composition: {N: 2} - thermo: - model: NASA7 - temperature-ranges: [300.0, 1000.0, 5000.0] - data: - - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, - -1020.8999, 3.950372] - - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, - -922.7977, 5.980528] - note: '121286' - transport: - model: gas - geometry: linear - well-depth: 97.53 - diameter: 3.621 - polarizability: 1.76 - rotational-relaxation: 4.0 - -reactions: -- equation: CH4 <=> CH4 # Reaction 1 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: N2 <=> N2 # Reaction 2 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: H2O <=> H2O # Reaction 3 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: O2 <=> O2 # Reaction 4 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} \ No newline at end of file diff --git a/examples/1D_reactive_shocktube/case.py b/examples/1D_reactive_shocktube/case.py index cb33127e64..65fe802767 100644 --- a/examples/1D_reactive_shocktube/case.py +++ b/examples/1D_reactive_shocktube/case.py @@ -50,12 +50,12 @@ # Logistics "run_time_info": "T", # Computational Domain Parameters - "x_domain%beg": -L/2, - "x_domain%end": L/2, - "stretch_x": "T", - "a_x": 20, - "x_a":- L/8, - "x_b": L/8, + "x_domain%beg": -L / 2, + "x_domain%end": L / 2, + "stretch_x": "T", + "a_x": 20, + "x_a": -L / 8, + "x_b": L / 8, "m": Nx, "n": 0, "p": 0, @@ -93,14 +93,14 @@ "prim_vars_wrt": "T", "chem_wrt_T": "T", "patch_icpp(1)%geometry": 1, - "patch_icpp(1)%x_centroid": L/4, - "patch_icpp(1)%length_x": L/2 , + "patch_icpp(1)%x_centroid": L / 4, + "patch_icpp(1)%length_x": L / 2, "patch_icpp(1)%vel(1)": u_l, "patch_icpp(1)%pres": sol_L.P, "patch_icpp(1)%alpha(1)": 1, "patch_icpp(1)%alpha_rho(1)": sol_L.density, "patch_icpp(2)%geometry": 1, - "patch_icpp(2)%x_centroid": - L / 4, + "patch_icpp(2)%x_centroid": -L / 4, "patch_icpp(2)%length_x": L / 2, "patch_icpp(2)%vel(1)": u_r, "patch_icpp(2)%pres": sol_R.P, diff --git a/tests/A745163D/golden-metadata.txt b/tests/A745163D/golden-metadata.txt index 72594c2188..c7152fc85c 100644 --- a/tests/A745163D/golden-metadata.txt +++ b/tests/A745163D/golden-metadata.txt @@ -1,12 +1,12 @@ -This file was created on 2025-06-21 13:43:11.600883. +This file was created on 2025-06-21 16:34:53.069560. mfc.sh: Invocation: test -o MultiComponent_Diffusion --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 31ec1aaeaf61504f191a1a10fd3553438c16e03d on Diffusion (dirty) + Git: 6988404f0398a7e414bce9bdfb6f0823ba712858 on Diffusion (dirty) -pre_process: +syscheck: CMake Configuration: @@ -15,10 +15,10 @@ pre_process: C : GNU v14.2.0 (/usr/bin/gcc-14) Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - PRE_PROCESS : ON + PRE_PROCESS : OFF SIMULATION : OFF POST_PROCESS : OFF - SYSCHECK : OFF + SYSCHECK : ON DOCUMENTATION : OFF ALL : OFF @@ -39,7 +39,7 @@ pre_process: OMPI_CXX : OMPI_FC : -simulation: +post_process: CMake Configuration: @@ -49,8 +49,8 @@ simulation: Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : ON SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF @@ -72,7 +72,7 @@ simulation: OMPI_CXX : OMPI_FC : -post_process: +pre_process: CMake Configuration: @@ -81,9 +81,9 @@ post_process: C : GNU v14.2.0 (/usr/bin/gcc-14) Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - PRE_PROCESS : OFF + PRE_PROCESS : ON SIMULATION : OFF - POST_PROCESS : ON + POST_PROCESS : OFF SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF @@ -105,7 +105,7 @@ post_process: OMPI_CXX : OMPI_FC : -syscheck: +simulation: CMake Configuration: @@ -115,9 +115,9 @@ syscheck: Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) PRE_PROCESS : OFF - SIMULATION : OFF + SIMULATION : ON POST_PROCESS : OFF - SYSCHECK : ON + SYSCHECK : OFF DOCUMENTATION : OFF ALL : OFF diff --git a/tests/A745163D/golden.txt b/tests/A745163D/golden.txt index 094ac8a0fa..d252ca5093 100644 --- a/tests/A745163D/golden.txt +++ b/tests/A745163D/golden.txt @@ -29,4 +29,4 @@ D/prim.6.00.000050.dat 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0 D/prim.7.00.000000.dat 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154972 0.21400000154968 0.21400000154939 0.21400000154729 0.21400000153311 0.21400000144482 0.21400000093721 0.21399999824313 0.21399998504572 0.21399992538758 0.21399967658956 0.21399871962609 0.21399532597273 0.2139842345414 0.21395084239484 0.21385829153401 0.2136223096149 0.21306928828681 0.21187951695691 0.20953321328383 0.20530045455074 0.19833469356556 0.18791912020037 0.17385360075945 0.15686371705567 0.13881721789997 0.12253270681452 0.11111447270836 0.10700000077486 0.11111447270836 0.12253270681452 0.13881721789997 0.15686371705567 0.17385360075945 0.18791912020037 0.19833469356556 0.20530045455074 0.20953321328383 0.21187951695691 0.21306928828681 0.2136223096149 0.21385829153401 0.21395084239484 0.2139842345414 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0.59100001217797 0.59100001177977 0.59100001171046 0.59100001169932 0.59100001169767 0.59100001169744 0.59100001169742 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 0.59100001169741 \ No newline at end of file From 17b91944f46c4cfdca99897ff9b62a2c0089253f Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 22 Jun 2025 17:04:18 -0400 Subject: [PATCH 23/43] .. --- tests/A745163D/golden-metadata.txt | 136 +---------------------------- 1 file changed, 2 insertions(+), 134 deletions(-) diff --git a/tests/A745163D/golden-metadata.txt b/tests/A745163D/golden-metadata.txt index c7152fc85c..20d7cbb59e 100644 --- a/tests/A745163D/golden-metadata.txt +++ b/tests/A745163D/golden-metadata.txt @@ -1,142 +1,10 @@ -This file was created on 2025-06-21 16:34:53.069560. +This file was created on 2025-06-21 21:24:14.754636. mfc.sh: Invocation: test -o MultiComponent_Diffusion --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 6988404f0398a7e414bce9bdfb6f0823ba712858 on Diffusion (dirty) - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -post_process: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : ON - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -simulation: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : + Git: 2ccbc6dccae0b2424bb2d0e06ab46b5b99a3c93f on Diffusion (clean) CPU: From cf1b9a2530d51c2d7b33e9a0da34ed8f63d56f0b Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 23 Jun 2025 17:05:22 -0400 Subject: [PATCH 24/43] Diffusion Golden File --- examples/1D_MultiComponent_Diffusion/case.py | 84 ----------- tests/54BEE3ED/golden-metadata.txt | 149 +++++++++++++++++++ tests/54BEE3ED/golden.txt | 56 +++++++ tests/D54F258B/golden-metadata.txt | 149 +++++++++++++++++++ tests/D54F258B/golden.txt | 56 +++++++ toolchain/mfc/test/case.py | 12 -- toolchain/mfc/test/cases.py | 22 ++- 7 files changed, 427 insertions(+), 101 deletions(-) delete mode 100644 examples/1D_MultiComponent_Diffusion/case.py create mode 100644 tests/54BEE3ED/golden-metadata.txt create mode 100644 tests/54BEE3ED/golden.txt create mode 100644 tests/D54F258B/golden-metadata.txt create mode 100644 tests/D54F258B/golden.txt diff --git a/examples/1D_MultiComponent_Diffusion/case.py b/examples/1D_MultiComponent_Diffusion/case.py deleted file mode 100644 index 3f102300be..0000000000 --- a/examples/1D_MultiComponent_Diffusion/case.py +++ /dev/null @@ -1,84 +0,0 @@ -#!/usr/bin/env python3 -# References: -# + DOI: 10.2514/6.2020-1751: IV.B. Multi-component diffusion - -import json -import argparse -import math - -import cantera as ct - -parser = argparse.ArgumentParser(prog="1D_MultiComponent_Diffusion", formatter_class=argparse.ArgumentDefaultsHelpFormatter) - -parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC's toolchain's internal state.") -parser.add_argument("--no-chem", dest="chemistry", default=True, action="store_false", help="Disable chemistry.") - -args = parser.parse_args() - -ctfile = "input/grigri.dat" - -L = 0.05 -Nx = 100 -dx = L / Nx -dt = 0.3e-6 -Tend = 0.05 - -NT = int(Tend / dt) -SAVE_COUNT = 2000 -NS = 2000 -case = { - "run_time_info": "T", - "x_domain%beg": 0, - "x_domain%end": +L, - "m": Nx, - "n": 0, - "p": 0, - "dt": float(dt), - "t_step_start": 0, - "t_step_stop": NT, - "t_step_save": NS, - "t_step_print": NS, - "parallel_io": "F", - "model_eqns": 2, - "num_fluids": 1, - "num_patches": 1, - "mpp_lim": "F", - "mixture_err": "F", - "time_stepper": 3, - "weno_order": 5, - "weno_eps": 1e-16, - "weno_avg": "F", - "mapped_weno": "T", - "mp_weno": "T", - "riemann_solver": 2, - "wave_speeds": 2, - "avg_state": 1, - "bc_x%beg": -1, - "bc_x%end": -1, - "chemistry": "T" if not args.chemistry else "T", - "chem_params%diffusion": "T", - "chem_params%reactions": "F", - "format": 1, - "precision": 2, - "prim_vars_wrt": "T", - "patch_icpp(1)%geometry": 1, - "patch_icpp(1)%x_centroid": L / 2, - "patch_icpp(1)%length_x": L, - "patch_icpp(1)%vel(1)": "0", - "patch_icpp(1)%pres": 1.01325e5, - "patch_icpp(1)%alpha(1)": 1, - "patch_icpp(1)%Y(1)": "(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142", - "patch_icpp(1)%Y(2)": "(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1", - "patch_icpp(1)%Y(3)": "(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0", - "patch_icpp(1)%Y(4)": "(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758", - "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))", - "fluid_pp(1)%gamma": 1.0e00 / (1.9326e00 - 1.0e00), - "fluid_pp(1)%pi_inf": 0, - "cantera_file": ctfile, -} - -if args.chemistry: - for i in range(4): - case[f"chem_wrt_Y({i + 1})"] = "T" -if __name__ == "__main__": - print(json.dumps(case)) diff --git a/tests/54BEE3ED/golden-metadata.txt b/tests/54BEE3ED/golden-metadata.txt new file mode 100644 index 0000000000..e18adef48b --- /dev/null +++ b/tests/54BEE3ED/golden-metadata.txt @@ -0,0 +1,149 @@ +This file was created on 2025-06-23 17:04:56.555265. + +mfc.sh: + + Invocation: test -o MultiComponent_Diffusion --generate + Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No + Git: 17b91944f46c4cfdca99897ff9b62a2c0089253f on Diffusion (dirty) + +syscheck: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Debug + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +simulation: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : OFF + SIMULATION : ON + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Debug + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Debug + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 39 bits physical, 48 bits virtual + Byte Order: Little Endian + CPU(s): 20 + On-line CPU(s) list: 0-19 + Vendor ID: GenuineIntel + Model name: 12th Gen Intel(R) Core(TM) i7-12700H + CPU family: 6 + Model: 154 + Thread(s) per core: 2 + Core(s) per socket: 10 + Socket(s): 1 + Stepping: 3 + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities + Virtualization: VT-x + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) + L3 cache: 24 MiB (1 instance) + Vulnerability Gather data sampling: Not affected + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Not affected + Vulnerability Reg file data sampling: Mitigation; Clear Register File + Vulnerability Retbleed: Mitigation; Enhanced IBRS + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S + Vulnerability Srbds: Not affected + Vulnerability Tsx async abort: Not affected + diff --git a/tests/54BEE3ED/golden.txt b/tests/54BEE3ED/golden.txt new file mode 100644 index 0000000000..5d82a55ac4 --- /dev/null +++ b/tests/54BEE3ED/golden.txt @@ -0,0 +1,56 @@ +D/cons.1.00.000000.dat 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.93961165915728 0.93961165914981 0.93961165880238 0.93961164695625 0.93961135086244 0.93960593183057 0.93953343733609 0.93882674053521 0.93384791079171 0.90917351857949 0.82913595806626 0.67689248018791 0.51442562902733 0.40990471906066 0.37626009638335 0.40990471906066 0.51442562902733 0.67689248018791 0.82913595806626 0.90917351857949 0.93384791079171 0.93882674053521 0.93953343733609 0.93960593183057 0.93961135086244 0.93961164695625 0.93961165880238 0.93961165914981 0.93961165915728 0.9396116591574 0.9396116591574 0.9396116591574 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/home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Debug + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +syscheck: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : OFF + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : ON + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Debug + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +pre_process: + + CMake Configuration: + + CMake v3.28.3 on UchihaMadara + + C : GNU v14.2.0 (/usr/bin/gcc-14) + Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) + + PRE_PROCESS : ON + SIMULATION : OFF + POST_PROCESS : OFF + SYSCHECK : OFF + DOCUMENTATION : OFF + ALL : OFF + + MPI : ON + OpenACC : OFF + + Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp + Doxygen : + + Build Type : Debug + + Configuration Environment: + + CC : /usr/bin/gcc-14 + CXX : /usr/bin/g++-14 + FC : /usr/bin/gfortran-14 + OMPI_CC : + OMPI_CXX : + OMPI_FC : + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 39 bits physical, 48 bits virtual + Byte Order: Little Endian + CPU(s): 20 + On-line CPU(s) list: 0-19 + Vendor ID: GenuineIntel + Model name: 12th Gen Intel(R) Core(TM) i7-12700H + CPU family: 6 + Model: 154 + Thread(s) per core: 2 + Core(s) per socket: 10 + Socket(s): 1 + Stepping: 3 + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt 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+ Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S + Vulnerability Srbds: Not affected + Vulnerability Tsx async abort: Not affected + diff --git a/tests/D54F258B/golden.txt b/tests/D54F258B/golden.txt new file mode 100644 index 0000000000..d1e8b0b96e --- /dev/null +++ b/tests/D54F258B/golden.txt @@ -0,0 +1,56 @@ +D/cons.1.00.000000.dat 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.93961165915728 0.93961165914981 0.93961165880238 0.93961164695625 0.93961135086244 0.93960593183057 0.93953343733609 0.93882674053521 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".\\mfc.bat" if os.name == 'nt' else "./mfc.sh" target_names = [ get_target(t).name for t in targets ] @@ -385,12 +382,3 @@ def copy_input_lagrange(path_example_input, path_test): os.mkdir(folder_path_dest) shutil.copyfile(file_path_src, fite_path_dest) - -def input_chemistry_diffusion(self): - if "MultiComponent_Diffusion" in self.trace: - copy_input_diffusion(f'/1D_MultiComponent_Diffusion',f'{self.get_dirpath()}') - -def copy_input_diffusion(path_example_input, path_test): - folder_path_dest = path_test + '/input/' - file_path_dest = folder_path_dest + 'grigri.yaml' - file_path_src = common.MFC_EXAMPLE_DIRPATH + path_example_input + '/input/grigri.yaml' diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 6ae3af337b..bef186e403 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -1007,11 +1007,23 @@ def chemistry_cases(): }, override_tol=1 )) - cases.append(define_case_f( - f'1D -> Chemistry -> MultiComponent_Diffusion ', - 'examples/1D_MultiComponent_Diffusion', - mods=common_mods - )) + stack.push(f'1D -> Chemistry -> MultiComponent_Diffusion', {"m": 50, + 'dt': 1e-06, 'num_patches': 1, 'num_fluids': 1, 'x_domain%beg': 0.0, 'x_domain%end': 0.05, + 'num_fluids': 1, 'bc_x%beg': -1, 'bc_x%end': -1, "weno_order": 5,"weno_eps": 1e-16, "weno_avg": "F", + "mapped_weno": "T", "mp_weno": "T",'weno_Re_flux': 'F', "riemann_solver": 2, "wave_speeds": 2, + "avg_state": 1,"chemistry": "T", "chem_params%diffusion": "T","chem_params%reactions": "F", "chem_wrt_T" : "T", + "patch_icpp(1)%geometry": 1, "patch_icpp(1)%x_centroid": 0.05 / 2, "patch_icpp(1)%length_x": 0.05, + "patch_icpp(1)%vel(1)": "0", "patch_icpp(1)%pres": 1.01325e5, "patch_icpp(1)%alpha(1)": 1, + "patch_icpp(1)%Y(1)": "(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142", + "patch_icpp(1)%Y(2)": "(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1", + "patch_icpp(1)%Y(3)": "(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0", + "patch_icpp(1)%Y(4)": "(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758", + "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))", + "fluid_pp(1)%gamma": 1.0e00 / (1.9326e00 - 1.0e00), "fluid_pp(1)%pi_inf": 0, "cantera_file": "h2o2.yaml", 't_step_start': 0, 't_step_stop': 400, 't_step_save': 400 + }) + cases.append(define_case_d(stack, '', {})) + + stack.pop() foreach_dimension() From 326f76e637334a25a94dff6c2b4bb0f595a28682 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Wed, 9 Jul 2025 13:14:04 -0400 Subject: [PATCH 25/43] Small changes --- src/common/m_variables_conversion.fpp | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/common/m_variables_conversion.fpp b/src/common/m_variables_conversion.fpp index 949eac92cb..85f370d7a1 100644 --- a/src/common/m_variables_conversion.fpp +++ b/src/common/m_variables_conversion.fpp @@ -1618,12 +1618,11 @@ contains real(wp), intent(out) :: c real(wp) :: blkmod1, blkmod2 - real(wp) :: Tolerance integer :: q if (chemistry) then - if (avg_state == 1 .and. abs(c_c) > Tolerance) then + if (avg_state == 1 .and. abs(c_c) > verysmall) then c = sqrt(c_c - (gamma - 1.0_wp)*(vel_sum - H)) else c = sqrt((1.0_wp + 1.0_wp/gamma)*pres/rho) From 2b18cd6968b80581c7f9acae8de9121d8f1d28f3 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Wed, 9 Jul 2025 14:50:06 -0400 Subject: [PATCH 26/43] Small_Changes --- src/common/m_chemistry.fpp | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index 51d13d8489..426a46991b 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -196,7 +196,7 @@ contains end select ! Extract species mass fractions - !$acc loop seq + $:GPU_LOOP(parallelism='[seq]') do i = chemxb, chemxe Ys_L(i - chemxb + 1) = q_prim_qp(i)%sf(x, y, z) Ys_R(i - chemxb + 1) = q_prim_qp(i)%sf(x + offsets(1), y + offsets(2), z + offsets(3)) @@ -238,7 +238,7 @@ contains call get_species_enthalpies_rt(T_R, h_r) ! Calculate species properties and gradients - !$acc loop seq + $:GPU_LOOP(parallelism='[seq]') do i = chemxb, chemxe h_l(i - chemxb + 1) = h_l(i - chemxb + 1)*gas_constant*T_L/molecular_weights(i - chemxb + 1) h_r(i - chemxb + 1) = h_r(i - chemxb + 1)*gas_constant*T_R/molecular_weights(i - chemxb + 1) @@ -248,7 +248,7 @@ contains end do ! Calculate mixture-averaged diffusivities - !$acc loop seq + $:GPU_LOOP(parallelism='[seq]') do i = chemxb, chemxe mass_diffusivities_mixavg_Cell(i - chemxb + 1) = & (mass_diffusivities_mixavg2(i - chemxb + 1) + mass_diffusivities_mixavg1(i - chemxb + 1))/ & @@ -261,7 +261,7 @@ contains rho_Vic = 0.0_wp Mass_Diffu_Energy = 0.0_wp - !$acc loop seq + $:GPU_LOOP(parallelism='[seq]') do eqn = chemxb, chemxe Mass_Diffu_Flux(eqn - chemxb + 1) = rho_cell*mass_diffusivities_mixavg_Cell(eqn - chemxb + 1)* & molecular_weights(eqn - chemxb + 1)/MW_cell*dXk_dxi(eqn - chemxb + 1) @@ -270,7 +270,7 @@ contains end do ! Apply corrections for mass conservation - !$acc loop seq + $:GPU_LOOP(parallelism='[seq]') do eqn = chemxb, chemxe Mass_Diffu_Energy = Mass_Diffu_Energy - h_k(eqn - chemxb + 1)*Ys_cell(eqn - chemxb + 1)*rho_Vic Mass_Diffu_Flux(eqn - chemxb + 1) = Mass_Diffu_Flux(eqn - chemxb + 1) - rho_Vic*Ys_cell(eqn - chemxb + 1) @@ -282,7 +282,7 @@ contains ! Update flux arrays flux_src_vf(E_idx)%sf(x, y, z) = flux_src_vf(E_idx)%sf(x, y, z) - Mass_Diffu_Energy - !$acc loop seq + $:GPU_LOOP(parallelism='[seq]') do eqn = chemxb, chemxe flux_src_vf(eqn)%sf(x, y, z) = flux_src_vf(eqn)%sf(x, y, z) - Mass_diffu_Flux(eqn - chemxb + 1) end do From d70756635e0cbe82652ce8ecf082db364fe991ed Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 10 Jul 2025 12:46:58 -0400 Subject: [PATCH 27/43] Stuff --- examples/1D_Multicomponent_Diffusion/case.py | 129 ++++++++++++++++++ .../1D_Multicomponent_Diffusion/grigri.yaml | 108 +++++++++++++++ src/common/m_chemistry.fpp | 3 + src/simulation/m_rhs.fpp | 1 + src/simulation/m_riemann_solvers.fpp | 2 - 5 files changed, 241 insertions(+), 2 deletions(-) create mode 100644 examples/1D_Multicomponent_Diffusion/case.py create mode 100644 examples/1D_Multicomponent_Diffusion/grigri.yaml diff --git a/examples/1D_Multicomponent_Diffusion/case.py b/examples/1D_Multicomponent_Diffusion/case.py new file mode 100644 index 0000000000..1ffb69be15 --- /dev/null +++ b/examples/1D_Multicomponent_Diffusion/case.py @@ -0,0 +1,129 @@ +#!/usr/bin/env python3 + +# References: +# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube + +import json +import argparse +import math + +import cantera as ct + +parser = argparse.ArgumentParser( + prog="1D_MultiComponent_Diffusion", + formatter_class=argparse.ArgumentDefaultsHelpFormatter) + +parser.add_argument( + "--mfc", + type=json.loads, + default="{}", + metavar="DICT", + help="MFC's toolchain's internal state.", +) +parser.add_argument( + "--no-chem", + dest="chemistry", + default=True, + action="store_false", + help="Disable chemistry.", +) +parser.add_argument("--scale", type=float, default=1, help="Scale.") + +args = parser.parse_args() + +ctfile = 'grigri.yaml' +sol_L = ct.Solution(ctfile) +sol_L.TPX = 300, 101325, 'O2:2,N2:2,H2O:5' + +L = 0.05 +Nx = 400 +dx = L / Nx +dt = 0.1e-6 +Tend = 0.05 + +NT = int(Tend / dt) +SAVE_COUNT = 2000 +NS = 2000 +case = { + # Logistics ================================================================ + 'run_time_info' : 'T', + # ========================================================================== + + # Computational Domain Parameters ========================================== + 'x_domain%beg' : 0, + 'x_domain%end' : +L, + 'm' : Nx, + 'n' : 0, + 'p' : 0, + 'dt' : float(dt), + 't_step_start' : 0, + 't_step_stop' : NT, + 't_step_save' : NS, + 't_step_print' : NS, + 'parallel_io' : 'F', + # ========================================================================== + + # Simulation Algorithm Parameters ========================================== + 'model_eqns' : 2, + 'num_fluids' : 1, + 'num_patches' : 1, + 'mpp_lim' : 'F', + 'mixture_err' : 'F', + 'time_stepper' : 3, + 'weno_order' : 5, + 'weno_eps' : 1E-16, + 'weno_avg' : 'F', + 'mapped_weno' : 'T', + 'mp_weno' : 'T', + 'riemann_solver' : 2, + 'wave_speeds' : 1, + 'avg_state' : 2, + 'bc_x%beg' :-1, + 'bc_x%end' :-1, + 'viscous' : 'F', + # ========================================================================== + + # Chemistry ================================================================ + 'chemistry' : 'T' if not args.chemistry else 'T', + 'chem_params%diffusion' : 'T', + 'chem_params%reactions' : 'F', + # ========================================================================== + + # Formatted Database Files Structure Parameters ============================ + 'format' : 1, + 'precision' : 2, + 'prim_vars_wrt' : 'T', + "chem_wrt_T" : "T", + # ========================================================================== + + # ========================================================================== + 'patch_icpp(1)%geometry' : 1, + 'patch_icpp(1)%x_centroid' : L/2, + 'patch_icpp(1)%length_x' : L, + 'patch_icpp(1)%vel(1)' : 1.0, + 'patch_icpp(1)%pres' : sol_L.P, + 'patch_icpp(1)%alpha(1)' : 1, + 'patch_icpp(1)%Y(1)' : '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142', + 'patch_icpp(1)%Y(2)' : '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1', + 'patch_icpp(1)%Y(3)' : '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0', + 'patch_icpp(1)%Y(4)' : '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758', + 'patch_icpp(1)%alpha_rho(1)' : '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', + # ========================================================================== + + # Fluids Physical Parameters =============================================== + 'fluid_pp(1)%gamma' : 1.0E+00/(1.9326E+00-1.0E+00), + 'fluid_pp(1)%pi_inf' : 0, + # 'fluid_pp(1)%Re(1)' : 20000000, + # ========================================================================== + + # Chemistry ================================================================ + 'cantera_file' : ctfile, + # ========================================================================== +} + +if args.chemistry: + for i in range(len(sol_L.Y)-4): + case[f"patch_icpp(1)%Y({i+5})"] = 0.0 +if __name__ == '__main__': + print(json.dumps(case)) + diff --git a/examples/1D_Multicomponent_Diffusion/grigri.yaml b/examples/1D_Multicomponent_Diffusion/grigri.yaml new file mode 100644 index 0000000000..fd811075e6 --- /dev/null +++ b/examples/1D_Multicomponent_Diffusion/grigri.yaml @@ -0,0 +1,108 @@ +description: |- + GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format + See README30 file at anonymous FTP site unix.sri.com, directory gri; + WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or + through http://www.gri.org , under 'Basic Research', + for additional information, contacts, and disclaimer + + Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html + +generator: ck2yaml +input-files: [gri30.inp, gri30_thermo.dat, gri30_tran.dat] +cantera-version: 2.5.0 +date: Wed, 11 Dec 2019 16:59:02 -0500 + +units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} + +phases: +- name: gri30 + thermo: ideal-gas + elements: [O, H, C, N] + species: [O2, H2O, CH4, N2] + kinetics: gas + transport: mixture-averaged + state: {T: 300.0, P: 1 atm} + +species: +- name: O2 + composition: {O: 2} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, + -1063.94356, 3.65767573] + - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14, + -1088.45772, 5.45323129] + note: TPIS89 + transport: + model: gas + geometry: linear + well-depth: 107.4 + diameter: 3.458 + polarizability: 1.6 + rotational-relaxation: 3.8 +- name: H2O + composition: {H: 2, O: 1} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12, + -3.02937267e+04, -0.849032208] + - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14, + -3.00042971e+04, 4.9667701] + note: L8/89 + transport: + model: gas + geometry: nonlinear + well-depth: 572.4 + diameter: 2.605 + dipole: 1.844 + rotational-relaxation: 4.0 +- name: CH4 + composition: {C: 1, H: 4} + thermo: + model: NASA7 + temperature-ranges: [200.0, 1000.0, 3500.0] + data: + - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11, + -1.02466476e+04, -4.64130376] + - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13, + -9468.34459, 18.437318] + note: L8/88 + transport: + model: gas + geometry: nonlinear + well-depth: 141.4 + diameter: 3.746 + polarizability: 2.6 + rotational-relaxation: 13.0 +- name: N2 + composition: {N: 2} + thermo: + model: NASA7 + temperature-ranges: [300.0, 1000.0, 5000.0] + data: + - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, + -1020.8999, 3.950372] + - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, + -922.7977, 5.980528] + note: '121286' + transport: + model: gas + geometry: linear + well-depth: 97.53 + diameter: 3.621 + polarizability: 1.76 + rotational-relaxation: 4.0 + +reactions: +- equation: CH4 <=> CH4 # Reaction 1 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: N2 <=> N2 # Reaction 2 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: H2O <=> H2O # Reaction 3 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} +- equation: O2 <=> O2 # Reaction 4 + rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index 426a46991b..756ad1e469 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -28,6 +28,9 @@ contains subroutine compute_viscosity_and_inversion(T_L, Ys_L, T_R, Ys_R, Re_L, Re_R) + $:GPU_ROUTINE(function_name='compute_viscosity_and_inversion',parallelism='[seq]', & + & cray_inline=True) + real(wp), intent(inout) :: T_L, T_R, Re_L, Re_R real(wp), dimension(num_species), intent(inout) :: Ys_R, Ys_L diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index cec6c52d57..6a6bcc214f 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -1559,6 +1559,7 @@ contains end do end do end do + end do end if if (chem_params%diffusion) then diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 7960484251..c676666021 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -649,7 +649,6 @@ contains if (chemistry) then call compute_viscosity_and_inversion(T_L, Ys_L, T_R, Ys_R, Re_L(1), Re_R(1)) end if - !$acc loop seq $:GPU_LOOP(parallelism='[seq]') do i = 1, 2 Re_avg_rs${XYZ}$_vf(j, k, l, i) = 2._wp/(1._wp/Re_L(i) + 1._wp/Re_R(i)) @@ -2602,7 +2601,6 @@ contains if (chemistry) then call compute_viscosity_and_inversion(T_L, Ys_L, T_R, Ys_R, Re_L(1), Re_R(1)) end if - !$acc loop seq $:GPU_LOOP(parallelism='[seq]') do i = 1, 2 Re_avg_rs${XYZ}$_vf(j, k, l, i) = 2._wp/(1._wp/Re_L(i) + 1._wp/Re_R(i)) From be3d5150c5063b210e7107f68d7a9cd9c54c0ee8 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 10 Jul 2025 12:50:23 -0400 Subject: [PATCH 28/43] Small Changes V2 --- src/common/m_chemistry.fpp | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index 756ad1e469..b6b4eb255f 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -180,11 +180,10 @@ contains offsets = 0 offsets(idir) = 1 - $:GPU_DECLARE(copyin='[offsets]') $:GPU_PARALLEL_LOOP(collapse=3, private='[Ys_L, Ys_R, Ys_cell, & & Xs_L, Xs_R, mass_diffusivities_mixavg1, mass_diffusivities_mixavg2, & & mass_diffusivities_mixavg_Cell, h_l, h_r, Xs_cell, h_k, & - & dXk_dxi,Mass_Diffu_Flux]') + & dXk_dxi,Mass_Diffu_Flux]', copyin='[offsets]') do z = isc3%beg, isc3%end do y = isc2%beg, isc2%end do x = isc1%beg, isc1%end From 6ef589fa253fe3498ab61aeea25b12aa31226ae4 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 10 Jul 2025 20:22:51 -0400 Subject: [PATCH 29/43] Replace tests/ directory with upstream version --- tests/54BEE3ED/golden-metadata.txt | 107 ++------------------------- tests/54BEE3ED/golden.txt | 112 ++++++++++++++--------------- 2 files changed, 60 insertions(+), 159 deletions(-) diff --git a/tests/54BEE3ED/golden-metadata.txt b/tests/54BEE3ED/golden-metadata.txt index e18adef48b..0845d82ba2 100644 --- a/tests/54BEE3ED/golden-metadata.txt +++ b/tests/54BEE3ED/golden-metadata.txt @@ -1,109 +1,10 @@ -This file was created on 2025-06-23 17:04:56.555265. +This file was created on 2025-07-10 20:20:15.899928. mfc.sh: - Invocation: test -o MultiComponent_Diffusion --generate - Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No - Git: 17b91944f46c4cfdca99897ff9b62a2c0089253f on Diffusion (dirty) - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Debug - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -simulation: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Debug - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Debug - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : + Invocation: test -o Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: be3d5150c5063b210e7107f68d7a9cd9c54c0ee8 on Diffusion (dirty) CPU: diff --git 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5689fd3873cdad67429804a9124646eddeac266a Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 10 Jul 2025 22:29:06 -0400 Subject: [PATCH 30/43] Final Changes --- Chemistry | 0 Inert | 486 ++++++++++++++++++ examples/1D_Multicomponent_Diffusion/case.py | 129 ----- .../1D_Multicomponent_Diffusion/grigri.yaml | 108 ---- examples/1D_Premixed_Flame/case.py | 93 ++++ src/common/m_chemistry.fpp | 6 +- src/simulation/m_rhs.fpp | 32 +- tests/140C353C/golden-metadata.txt | 50 ++ tests/140C353C/golden.txt | 56 ++ tests/2BDE2018/golden-metadata.txt | 132 +---- tests/2BDE2018/golden.txt | 52 +- tests/4D7D85B4/golden-metadata.txt | 132 +---- tests/4D7D85B4/golden.txt | 52 +- tests/54BEE3ED/golden-metadata.txt | 6 +- tests/54BEE3ED/golden.txt | 112 ++-- tests/5DCF300C/golden-metadata.txt | 132 +---- tests/6B3AE48F/golden-metadata.txt | 132 +---- tests/6B3AE48F/golden.txt | 52 +- tests/F8ADA51B/golden-metadata.txt | 132 +---- tests/F8ADA51B/golden.txt | 52 +- toolchain/mfc/test/cases.py | 43 +- 21 files changed, 969 insertions(+), 1020 deletions(-) create mode 100644 Chemistry create mode 100644 Inert delete mode 100644 examples/1D_Multicomponent_Diffusion/case.py delete mode 100644 examples/1D_Multicomponent_Diffusion/grigri.yaml create mode 100644 examples/1D_Premixed_Flame/case.py create mode 100644 tests/140C353C/golden-metadata.txt create mode 100644 tests/140C353C/golden.txt diff --git a/Chemistry b/Chemistry new file mode 100644 index 0000000000..e69de29bb2 diff --git a/Inert b/Inert new file mode 100644 index 0000000000..c825eed5b1 --- /dev/null +++ b/Inert @@ -0,0 +1,486 @@ +mfc: OK > (venv) Entered the Python 3.12.3 virtual environment (>= 3.9). + + .=++*: -+*+=. | pain@UchihaMadara [Linux] + :+ -*- == =* . | ------------------------- + :*+ == ++ .+- | + :*##-.....:*+ .#%+++=--+=:::. | --jobs 1 + -=-++-======#=--**+++==+*++=::-:. | --mpi --no-gpu --no-debug --no-gcov --no-unified --no-single + .:++=----------====+*= ==..:%..... | + .:-=++++===--==+=-+= +. := | + +#=::::::::=%=. -+: =+ *: | ---------------------------------------------------------- + .*=-=*=.. :=+*+: -...-- | $ ./mfc.sh (build, run, test, clean, count, packer) --help + + + Test pre_process and simulation | Only 1D, -, -, and Shocktube (0 tests) + + tests/UUID (s) Summary + + + + +Test Summary: 0 passed, 0 failed, 460 skipped. + + Skipped Cases + + 2D -> IBM -> STL + 3D -> IBM -> STL + 1D -> bc=-1 + 1D -> bc=-2 + 1D -> bc=-4 + 1D -> bc=-5 + 1D -> bc=-6 + 1D -> bc=-7 + 1D -> bc=-8 + 1D -> bc=-9 + 1D -> bc=-10 + 1D -> bc=-11 + 1D -> bc=-12 + 1D -> bc=-3 + 1D -> bc=-15 + 1D -> bc=-16 + 1D -> bc=-17 + 1D -> grcbc x + 1D -> weno_order=3 + 1D -> weno_order=3 -> wenoz=T + 1D -> weno_order=3 -> mapped_weno=T + 1D -> weno_order=5 + 1D -> weno_order=5 -> mp_weno=T + 1D -> weno_order=5 -> teno=T + 1D -> weno_order=5 -> wenoz=T + 1D -> weno_order=5 -> mapped_weno=T + 1D -> weno_order=7 + 1D -> weno_order=7 -> teno=T + 1D -> weno_order=7 -> wenoz=T + 1D -> weno_order=7 -> mapped_weno=T + 1D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err + 1D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 1D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err + 1D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 1D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 1D -> 1 Fluid(s) -> Viscous + 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux + 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 1D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err + 1D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 1D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 1D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim + 1D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err + 1D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed + 1D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim + 1D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 1D -> 2 Fluid(s) -> Viscous + 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux + 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 1D -> 2 MPI Ranks + 1D -> Acoustic Source -> Sine -> Frequency + 1D -> Acoustic Source -> Sine -> Wavelength + 1D -> Acoustic Source -> Sine -> Delay + 1D -> Acoustic Source -> Sine -> Number of Pulses + 1D -> Acoustic Source -> Square -> Frequency + 1D -> Acoustic Source -> Square -> Wavelength + 1D -> Acoustic Source -> Square -> Delay + 1D -> Acoustic Source -> Square -> Number of Pulses + 1D -> Acoustic Source -> Gaussian -> Sigma Time + 1D -> Acoustic Source -> Gaussian -> Sigma Dist + 1D -> Acoustic Source -> Gaussian -> Dipole + 1D -> Bubbles -> Polytropic -> bubble_model=3 + 1D -> Bubbles -> Polytropic -> bubble_model=2 + 1D -> Bubbles -> bubble_model=2 + 1D -> Bubbles -> nb=1 + 1D -> Bubbles -> adv_n=T + 1D -> Bubbles -> adv_n=T -> adap_dt=T + 1D -> Bubbles -> artificial_Ma + 1D -> Bubbles -> low_Mach=1 + 1D -> Bubbles -> low_Mach=2 + 1D -> Bubbles -> QBMM + 1D -> Bubbles -> QBMM -> Non-polytropic + 1D -> Bubbles -> QBMM -> bubble_model=3 + 1D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic + 1D -> Hypoelasticity -> 1 Fluid(s) + 1D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage + 1D -> Hypoelasticity -> 2 Fluid(s) + 1D -> Phase Change model 5 -> 2 Fluid(s) + 1D -> Phase Change model 5 -> 3 Fluid(s) + 1D -> Phase Change model 6 -> 2 Fluid(s) + 1D -> Phase Change model 6 -> 3 Fluid(s) + 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 + 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 + 1D -> Viscosity -> Bubbles -> bubble_model=2 + 1D -> Viscosity -> Bubbles -> nb=1 + 1D -> Viscosity -> Bubbles -> QBMM + 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 + 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T + 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T + 1D -> Smoothing + 1D -> Bodyforces + 1D -> Bodyforces -> cfl_adap_dt=T + 2D -> bc=-1 + 2D -> bc=-2 + 2D -> bc=-4 + 2D -> bc=-5 + 2D -> bc=-6 + 2D -> bc=-7 + 2D -> bc=-8 + 2D -> bc=-9 + 2D -> bc=-10 + 2D -> bc=-11 + 2D -> bc=-12 + 2D -> bc=-3 + 2D -> bc=-15 + 2D -> bc=-16 + 2D -> bc=-17 + 2D -> grcbc x + 2D -> grcbc y + 2D -> weno_order=3 + 2D -> weno_order=3 -> wenoz=T + 2D -> weno_order=3 -> mapped_weno=T + 2D -> weno_order=5 + 2D -> weno_order=5 -> mp_weno=T + 2D -> weno_order=5 -> teno=T + 2D -> weno_order=5 -> wenoz=T + 2D -> weno_order=5 -> mapped_weno=T + 2D -> weno_order=7 + 2D -> weno_order=7 -> teno=T + 2D -> weno_order=7 -> wenoz=T + 2D -> weno_order=7 -> mapped_weno=T + 2D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err + 2D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 2D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err + 2D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 2D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 2D -> 1 Fluid(s) -> IBM -> Rectangle -> slip + 2D -> 1 Fluid(s) -> IBM -> Circle -> slip + 2D -> 1 Fluid(s) -> IBM -> Rectangle + 2D -> 1 Fluid(s) -> IBM -> Circle + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle -> slip + 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle + 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 + 2D -> 1 Fluid(s) -> Viscous + 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux + 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 2D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 + 2D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err + 2D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 2D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 2D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim + 2D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err + 2D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed + 2D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim + 2D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 2D -> 2 Fluid(s) -> IBM -> Rectangle -> slip + 2D -> 2 Fluid(s) -> IBM -> Circle -> slip + 2D -> 2 Fluid(s) -> IBM -> Rectangle + 2D -> 2 Fluid(s) -> IBM -> Circle + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle -> slip + 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle + 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 + 2D -> 2 Fluid(s) -> Viscous + 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux + 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 2D -> Axisymmetric -> model_eqns=2 + 2D -> Axisymmetric -> model_eqns=3 + 2D -> Axisymmetric -> HLL + 2D -> Axisymmetric -> Viscous + 2D -> Axisymmetric -> Viscous -> weno_Re_flux + 2D -> Axisymmetric -> Viscous -> weno_Re_flux -> weno_avg + 2D -> 2 MPI Ranks + 2D -> Acoustic Source -> Planar -> support=2 + 2D -> Acoustic Source -> Planar -> support=2 -> Dipole + 2D -> Acoustic Source -> Transducer -> support=5 -> Sine + 2D -> Acoustic Source -> Transducer -> support=5 -> Gaussian + 2D -> Acoustic Source -> Transducer -> support=5 -> Delay + 2D -> Acoustic Source -> Transducer -> support=6 -> Sine + 2D -> Acoustic Source -> Transducer -> support=6 -> Gaussian + 2D -> Acoustic Source -> Transducer -> support=6 -> Delay + 2D -> Acoustic Source -> Transducer Array -> support=9 -> All Elements + 2D -> Acoustic Source -> Transducer Array -> support=9 -> One element + 2D -> Acoustic Source -> Transducer Array -> support=10 + 2D -> Bubbles -> Polytropic -> bubble_model=3 + 2D -> Bubbles -> Polytropic -> bubble_model=2 + 2D -> Bubbles -> bubble_model=2 + 2D -> Bubbles -> nb=1 + 2D -> Bubbles -> adv_n=T + 2D -> Bubbles -> adv_n=T -> adap_dt=T + 2D -> Bubbles -> artificial_Ma + 2D -> Bubbles -> low_Mach=1 + 2D -> Bubbles -> low_Mach=2 + 2D -> Bubbles -> QBMM + 2D -> Bubbles -> QBMM -> Non-polytropic + 2D -> Bubbles -> QBMM -> bubble_model=3 + 2D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic + 2D -> Hypoelasticity -> 1 Fluid(s) + 2D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage + 2D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 + 2D -> Hypoelasticity -> 1 Fluid(s) -> Axisymmetric + 2D -> Hypoelasticity -> 2 Fluid(s) + 2D -> Phase Change model 5 -> 2 Fluid(s) + 2D -> Phase Change model 5 -> 3 Fluid(s) + 2D -> Phase Change model 6 -> 3 Fluid(s) + 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 + 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 + 2D -> Viscosity -> Bubbles -> bubble_model=2 + 2D -> Viscosity -> Bubbles -> nb=1 + 2D -> Viscosity -> Bubbles -> QBMM + 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 + 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T + 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T + 2D -> Smoothing + 2D -> Bodyforces + 2D -> Bodyforces -> cfl_adap_dt=T + 2D -> BC Patches -> Line Segment -> X + 2D -> BC Patches -> Line Segment -> Y + 3D -> bc=-1 + 3D -> bc=-2 + 3D -> bc=-4 + 3D -> bc=-5 + 3D -> bc=-6 + 3D -> bc=-7 + 3D -> bc=-8 + 3D -> bc=-9 + 3D -> bc=-10 + 3D -> bc=-11 + 3D -> bc=-12 + 3D -> bc=-3 + 3D -> bc=-15 + 3D -> bc=-16 + 3D -> bc=-17 + 3D -> grcbc x + 3D -> grcbc y + 3D -> grcbc z + 3D -> weno_order=3 + 3D -> weno_order=3 -> wenoz=T + 3D -> weno_order=3 -> mapped_weno=T + 3D -> weno_order=5 + 3D -> weno_order=5 -> mp_weno=T + 3D -> weno_order=5 -> teno=T + 3D -> weno_order=5 -> wenoz=T + 3D -> weno_order=5 -> mapped_weno=T + 3D -> weno_order=7 + 3D -> weno_order=7 -> teno=T + 3D -> weno_order=7 -> wenoz=T + 3D -> weno_order=7 -> mapped_weno=T + 3D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err + 3D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 3D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err + 3D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 3D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 3D -> 1 Fluid(s) -> IBM -> Sphere -> slip + 3D -> 1 Fluid(s) -> IBM -> Cuboid -> slip + 3D -> 1 Fluid(s) -> IBM -> Cylinder -> slip + 3D -> 1 Fluid(s) -> IBM -> Sphere + 3D -> 1 Fluid(s) -> IBM -> Cuboid + 3D -> 1 Fluid(s) -> IBM -> Cylinder + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere -> slip + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder + 3D -> 1 Fluid(s) -> Viscous + 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux + 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 3D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 + 3D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err + 3D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 3D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 3D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim + 3D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err + 3D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed + 3D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim + 3D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 3D -> 2 Fluid(s) -> IBM -> Sphere -> slip + 3D -> 2 Fluid(s) -> IBM -> Cuboid -> slip + 3D -> 2 Fluid(s) -> IBM -> Cylinder -> slip + 3D -> 2 Fluid(s) -> IBM -> Sphere + 3D -> 2 Fluid(s) -> IBM -> Cuboid + 3D -> 2 Fluid(s) -> IBM -> Cylinder + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere -> slip + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder + 3D -> 2 Fluid(s) -> Viscous + 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux + 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 3D -> Cylindrical -> model_eqns=2 + 3D -> Cylindrical -> cfl_adap_dt=T + 3D -> Cylindrical -> Viscous + 3D -> Cylindrical -> Viscous -> weno_Re_flux + 3D -> Cylindrical -> Viscous -> weno_Re_flux -> weno_avg + 3D -> Lagrange Bubbles -> One-way Coupling + 3D -> Lagrange Bubbles -> Two-way Coupling + 3D -> Lagrange Bubbles -> One-way Coupling -> adap_dt=T + 3D -> Lagrange Bubbles -> Two-way Coupling -> adap_dt=T + 3D -> 2 MPI Ranks + 3D -> Acoustic Source -> Planar -> support=3 + 3D -> Acoustic Source -> Planar -> support=3 -> Dipole + 3D -> Acoustic Source -> Transducer -> support=7 + 3D -> Acoustic Source -> Transducer Array -> support=11 -> All Elements + 3D -> Acoustic Source -> Transducer Array -> support=11 -> One element + 3D -> Bubbles -> Polytropic -> bubble_model=3 + 3D -> Bubbles -> Polytropic -> bubble_model=2 + 3D -> Bubbles -> bubble_model=2 + 3D -> Bubbles -> nb=1 + 3D -> Bubbles -> adv_n=T + 3D -> Bubbles -> adv_n=T -> adap_dt=T + 3D -> Bubbles -> artificial_Ma + 3D -> Bubbles -> low_Mach=1 + 3D -> Bubbles -> low_Mach=2 + 3D -> Bubbles -> QBMM + 3D -> Bubbles -> QBMM -> Non-polytropic + 3D -> Bubbles -> QBMM -> bubble_model=3 + 3D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic + 3D -> Hypoelasticity -> 1 Fluid(s) + 3D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage + 3D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 + 3D -> Hypoelasticity -> 2 Fluid(s) + 3D -> Phase Change model 5 -> 2 Fluid(s) + 3D -> Phase Change model 5 -> 3 Fluid(s) + 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 + 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 + 3D -> Viscosity -> Bubbles -> bubble_model=2 + 3D -> Viscosity -> Bubbles -> nb=1 + 3D -> Viscosity -> Bubbles -> QBMM + 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 + 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T + 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T + 3D -> Smoothing + 3D -> Bodyforces + 3D -> Bodyforces -> cfl_adap_dt=T + 3D -> mixlayer_perturb + 3D -> BC Patches -> Circle -> X + 3D -> BC Patches -> Circle -> Y + 3D -> BC Patches -> Circle -> Z + 1D -> MHD -> HLL + 1D -> MHD -> HLLD + 1D -> RMHD + 2D -> MHD -> HLL + 2D -> MHD -> HLLD + 2D -> MHD -> Powell + 2D -> RMHD + 3D -> MHD + 3D -> RMHD + 2D -> Example -> shock_cloud_rmhd + 2D -> Example -> phasechange_bubble + 2D -> Example -> ibm + 3D -> Example -> acoustic_support3 + 1D -> Example -> impact + 3D -> Example -> phasechange_bubble + 1D -> Example -> hypo_2materials + 2D -> Example -> lid_driven_cavity + 3D -> Example -> acoustic_support11 + 2D -> Example -> acoustic_support10_axisym + 1D -> Example -> acoustic_sine_wavelength + 2D -> Example -> axisym_shockbubble + 1D -> Example -> bubblescreen + 1D -> Example -> cont_damage + 1D -> Example -> exp_bubscreen + 2D -> Example -> zero_circ_vortex + 3D -> Example -> TaylorGreenVortex + 1D -> Example -> brio_wu_rmhd + 2D -> Example -> acoustic_pulse + 2D -> Example -> rayleigh_taylor + 1D -> Example -> qbmm + 1D -> Example -> shuosher_old + 2D -> Example -> 5wave_quasi1D + 2D -> Example -> orszag_tang_powell + 2D -> Example -> whale_bubble_annulus + 2D -> Example -> isentropicvortex + 2D -> Example -> orszag_tang + 1D -> Example -> kapilashocktube + 1D -> Example -> acoustic_gauss_sigmadist + 1D -> Example -> laxshocktube + 1D -> Example -> poly_bubscreen + 3D -> Example -> recovering_sphere + 1D -> Example -> acoustic_gauss_sigmatime + 2D -> Example -> GreshoVortex + 2D -> Example -> lungwave + 1D -> Example -> vacuum_restart + 1D -> Example -> shuosher_wenojs5 + 3D -> Example -> ibm_stl_test + 2D -> Example -> acoustic_support6_axisym + 1D -> Example -> acoustic_dipole + 2D -> Example -> ibm_stl_test + 2D -> Example -> ibm_stl_MFCCharacter + 2D -> Example -> shockbubble + 2D -> Example -> shocktube_phasechange + 1D -> Example -> exp_tube_phasechange + 1D -> Example -> acoustic_sine_frequency + 3D -> Example -> acoustic_support7 + 1D -> Example -> vacuum + 1D -> Example -> shuosher_wenoz5 + 2D -> Example -> acoustic_support9 + 2D -> Example -> acoustic_support5 + 1D -> Example -> shuosher_teno7 + 3D -> Example -> shockdroplet + 3D -> Example -> lagrange_shbubcollapse + 1D -> Example -> shuosher_wenom5 + 2D -> Example -> jet + 1D -> Example -> dai_woodward + 1D -> Example -> shuosher_teno5 + 2D -> Example -> shockdroplet + 2D -> Example -> acoustic_support2 + 2D -> Example -> lungwave_horizontal + 2D -> Example -> ibm_airfoil + 1D -> Example -> brio_wu_hlld + 2D -> Example -> axisym_hypoelasticity + 2D -> Example -> TaylorGreenVortex + 2D -> Example -> axisym_shockwatercavity + 3D -> Example -> rayleigh_taylor + 2D -> Example -> cont_damage + 1D -> Example -> brio_wu + 1D -> Example -> titarevtorro + nD -> Example -> perfect_reactor + 1D -> Example -> sodshocktube + 2D -> Example -> shearlayer + 0D -> Example -> bubblecollapse_adap + 3D -> Example -> brio_wu + 2D -> Example -> riemann_test + 1D -> Example -> dai_woodward_hlld + 1D -> Chemistry -> Perfect Reactor + 2D -> Chemistry -> Perfect Reactor + 3D -> Chemistry -> Perfect Reactor + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 1 + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 2 + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 1 + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 2 + 1D -> Chemistry -> MultiComponent_Diffusion + +mfc: (venv) Exiting the Python virtual environment. diff --git a/examples/1D_Multicomponent_Diffusion/case.py b/examples/1D_Multicomponent_Diffusion/case.py deleted file mode 100644 index 1ffb69be15..0000000000 --- a/examples/1D_Multicomponent_Diffusion/case.py +++ /dev/null @@ -1,129 +0,0 @@ -#!/usr/bin/env python3 - -# References: -# + https://doi.org/10.1016/j.compfluid.2013.10.014: 4.3. Multi-component inert shock tube - -import json -import argparse -import math - -import cantera as ct - -parser = argparse.ArgumentParser( - prog="1D_MultiComponent_Diffusion", - formatter_class=argparse.ArgumentDefaultsHelpFormatter) - -parser.add_argument( - "--mfc", - type=json.loads, - default="{}", - metavar="DICT", - help="MFC's toolchain's internal state.", -) -parser.add_argument( - "--no-chem", - dest="chemistry", - default=True, - action="store_false", - help="Disable chemistry.", -) -parser.add_argument("--scale", type=float, default=1, help="Scale.") - -args = parser.parse_args() - -ctfile = 'grigri.yaml' -sol_L = ct.Solution(ctfile) -sol_L.TPX = 300, 101325, 'O2:2,N2:2,H2O:5' - -L = 0.05 -Nx = 400 -dx = L / Nx -dt = 0.1e-6 -Tend = 0.05 - -NT = int(Tend / dt) -SAVE_COUNT = 2000 -NS = 2000 -case = { - # Logistics ================================================================ - 'run_time_info' : 'T', - # ========================================================================== - - # Computational Domain Parameters ========================================== - 'x_domain%beg' : 0, - 'x_domain%end' : +L, - 'm' : Nx, - 'n' : 0, - 'p' : 0, - 'dt' : float(dt), - 't_step_start' : 0, - 't_step_stop' : NT, - 't_step_save' : NS, - 't_step_print' : NS, - 'parallel_io' : 'F', - # ========================================================================== - - # Simulation Algorithm Parameters ========================================== - 'model_eqns' : 2, - 'num_fluids' : 1, - 'num_patches' : 1, - 'mpp_lim' : 'F', - 'mixture_err' : 'F', - 'time_stepper' : 3, - 'weno_order' : 5, - 'weno_eps' : 1E-16, - 'weno_avg' : 'F', - 'mapped_weno' : 'T', - 'mp_weno' : 'T', - 'riemann_solver' : 2, - 'wave_speeds' : 1, - 'avg_state' : 2, - 'bc_x%beg' :-1, - 'bc_x%end' :-1, - 'viscous' : 'F', - # ========================================================================== - - # Chemistry ================================================================ - 'chemistry' : 'T' if not args.chemistry else 'T', - 'chem_params%diffusion' : 'T', - 'chem_params%reactions' : 'F', - # ========================================================================== - - # Formatted Database Files Structure Parameters ============================ - 'format' : 1, - 'precision' : 2, - 'prim_vars_wrt' : 'T', - "chem_wrt_T" : "T", - # ========================================================================== - - # ========================================================================== - 'patch_icpp(1)%geometry' : 1, - 'patch_icpp(1)%x_centroid' : L/2, - 'patch_icpp(1)%length_x' : L, - 'patch_icpp(1)%vel(1)' : 1.0, - 'patch_icpp(1)%pres' : sol_L.P, - 'patch_icpp(1)%alpha(1)' : 1, - 'patch_icpp(1)%Y(1)' : '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142', - 'patch_icpp(1)%Y(2)' : '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1', - 'patch_icpp(1)%Y(3)' : '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0', - 'patch_icpp(1)%Y(4)' : '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758', - 'patch_icpp(1)%alpha_rho(1)' : '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', - # ========================================================================== - - # Fluids Physical Parameters =============================================== - 'fluid_pp(1)%gamma' : 1.0E+00/(1.9326E+00-1.0E+00), - 'fluid_pp(1)%pi_inf' : 0, - # 'fluid_pp(1)%Re(1)' : 20000000, - # ========================================================================== - - # Chemistry ================================================================ - 'cantera_file' : ctfile, - # ========================================================================== -} - -if args.chemistry: - for i in range(len(sol_L.Y)-4): - case[f"patch_icpp(1)%Y({i+5})"] = 0.0 -if __name__ == '__main__': - print(json.dumps(case)) - diff --git a/examples/1D_Multicomponent_Diffusion/grigri.yaml b/examples/1D_Multicomponent_Diffusion/grigri.yaml deleted file mode 100644 index fd811075e6..0000000000 --- a/examples/1D_Multicomponent_Diffusion/grigri.yaml +++ /dev/null @@ -1,108 +0,0 @@ -description: |- - GRI-Mech Version 3.0 7/30/99 CHEMKIN-II format - See README30 file at anonymous FTP site unix.sri.com, directory gri; - WorldWideWeb home page http://www.me.berkeley.edu/gri_mech/ or - through http://www.gri.org , under 'Basic Research', - for additional information, contacts, and disclaimer - - Updated webpage at http://combustion.berkeley.edu/gri-mech/version30/text30.html - -generator: ck2yaml -input-files: [gri30.inp, gri30_thermo.dat, gri30_tran.dat] -cantera-version: 2.5.0 -date: Wed, 11 Dec 2019 16:59:02 -0500 - -units: {length: cm, time: s, quantity: mol, activation-energy: cal/mol} - -phases: -- name: gri30 - thermo: ideal-gas - elements: [O, H, C, N] - species: [O2, H2O, CH4, N2] - kinetics: gas - transport: mixture-averaged - state: {T: 300.0, P: 1 atm} - -species: -- name: O2 - composition: {O: 2} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [3.78245636, -2.99673416e-03, 9.84730201e-06, -9.68129509e-09, 3.24372837e-12, - -1063.94356, 3.65767573] - - [3.28253784, 1.48308754e-03, -7.57966669e-07, 2.09470555e-10, -2.16717794e-14, - -1088.45772, 5.45323129] - note: TPIS89 - transport: - model: gas - geometry: linear - well-depth: 107.4 - diameter: 3.458 - polarizability: 1.6 - rotational-relaxation: 3.8 -- name: H2O - composition: {H: 2, O: 1} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [4.19864056, -2.0364341e-03, 6.52040211e-06, -5.48797062e-09, 1.77197817e-12, - -3.02937267e+04, -0.849032208] - - [3.03399249, 2.17691804e-03, -1.64072518e-07, -9.7041987e-11, 1.68200992e-14, - -3.00042971e+04, 4.9667701] - note: L8/89 - transport: - model: gas - geometry: nonlinear - well-depth: 572.4 - diameter: 2.605 - dipole: 1.844 - rotational-relaxation: 4.0 -- name: CH4 - composition: {C: 1, H: 4} - thermo: - model: NASA7 - temperature-ranges: [200.0, 1000.0, 3500.0] - data: - - [5.14987613, -0.0136709788, 4.91800599e-05, -4.84743026e-08, 1.66693956e-11, - -1.02466476e+04, -4.64130376] - - [0.074851495, 0.0133909467, -5.73285809e-06, 1.22292535e-09, -1.0181523e-13, - -9468.34459, 18.437318] - note: L8/88 - transport: - model: gas - geometry: nonlinear - well-depth: 141.4 - diameter: 3.746 - polarizability: 2.6 - rotational-relaxation: 13.0 -- name: N2 - composition: {N: 2} - thermo: - model: NASA7 - temperature-ranges: [300.0, 1000.0, 5000.0] - data: - - [3.298677, 1.4082404e-03, -3.963222e-06, 5.641515e-09, -2.444854e-12, - -1020.8999, 3.950372] - - [2.92664, 1.4879768e-03, -5.68476e-07, 1.0097038e-10, -6.753351e-15, - -922.7977, 5.980528] - note: '121286' - transport: - model: gas - geometry: linear - well-depth: 97.53 - diameter: 3.621 - polarizability: 1.76 - rotational-relaxation: 4.0 - -reactions: -- equation: CH4 <=> CH4 # Reaction 1 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: N2 <=> N2 # Reaction 2 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: H2O <=> H2O # Reaction 3 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} -- equation: O2 <=> O2 # Reaction 4 - rate-constant: {A: 1.927e+13, b: -0.32, Ea: 0.0} diff --git a/examples/1D_Premixed_Flame/case.py b/examples/1D_Premixed_Flame/case.py new file mode 100644 index 0000000000..6f084d91c9 --- /dev/null +++ b/examples/1D_Premixed_Flame/case.py @@ -0,0 +1,93 @@ +#!/usr/bin/env python3 +import json +import argparse +import math + +import cantera as ct + +parser = argparse.ArgumentParser(prog="1D_Premixed_Flame", formatter_class=argparse.ArgumentDefaultsHelpFormatter) + +parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC's toolchain's internal state.") +parser.add_argument("--no-chem", dest="chemistry", default=True, action="store_false", help="Disable chemistry.") + +args = parser.parse_args() + +ctfile = "h2o2.yaml" +sol_L = ct.Solution(ctfile) +sol_L.TPX = 300, 8000, "O2:2,N2:2,H2O:5" + +L = 0.08 +Nx = 2000 +dx = L / Nx +dt = 0.25e-7 +Tend = 0.60e-2 + +NT = int(Tend / dt) +SAVE_COUNT = 2000 +NS = 2000 +case = { + "run_time_info": "T", + "x_domain%beg": 0, + "x_domain%end": +L, + "m": Nx, + "n": 0, + "p": 0, + "dt": float(dt), + "t_step_start": 0, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": NS, + "parallel_io": "F", + "model_eqns": 2, + "num_fluids": 1, + "num_patches": 1, + "mpp_lim": "F", + "mixture_err": "F", + "time_stepper": 3, + "weno_order": 5, + "weno_eps": 1e-16, + "weno_avg": "F", + "mapped_weno": "T", + "mp_weno": "T", + "riemann_solver": 2, + "wave_speeds": 2, + "avg_state": 1, + "bc_x%beg": -8, + "bc_x%end": -8, + "viscous": "T", + "chemistry": "T" if not args.chemistry else "T", + "chem_params%diffusion": "T", + "chem_params%reactions": "T", + "format": 1, + "precision": 2, + "prim_vars_wrt": "T", + "patch_icpp(1)%geometry": 1, + "patch_icpp(1)%x_centroid": L / 2, + "patch_icpp(1)%length_x": L, + "patch_icpp(1)%vel(1)": "0", + "patch_icpp(1)%pres": 1.01325e5, + "patch_icpp(1)%alpha(1)": 1, + "patch_icpp(1)%Y(1)": "(0.02851162527578208 + (1.882823170077901*10**(-5) - 0.02851162527578208) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(2)": "(0.0 + (3.3821733749391013*10**(-8) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(4)": "(0.22626859761271706 + (0.00013139577035943594 - 0.22626859761271706) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(3)": "(0.0 + (9.488275739032257*10**(-8) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(5)": "(0.0 + (3.868433894115635*10**(-5)- 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(7)": "(0.0 + (3.087047007163217*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(8)": "(0.0 + (1.7396153620760586*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(6)": "(0.0 + (0.2545911810163394 - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%Y(10)": "0.0", + "patch_icpp(1)%Y(10)": "(0.7452197771115008 + (0.7452197771115058 - 0.7452197771115008) * 0.5*(1-tanh(1250*(x-0.04))))", + "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(8.3144626d0*1000.0d0*(300 + (1600 - 300) * 0.5 * (1 - tanh(1250 * (x - 0.04))))* " + + "((0.02851162527578208 + (1.882823170077901*10**(-5) - 0.02851162527578208) * 0.5*(1-tanh(1250*(x-0.04))))/2.016 + ( 3.3821733749391013*10**(-8) * 0.5*(1-tanh(1250*(x-0.04))))/1.008 + " + + "(0.22626859761271706 + (0.00013139577035943594 - 0.22626859761271706) * 0.5*(1-tanh(1250*(x-0.04))))/31.998 + (9.488275739032257*10**(-8) * 0.5*(1-tanh(1250*(x-0.04))))/16.00 + " + + "(0.0 + (3.868433894115635*10**(-5)- 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/17.007 + (0.0 + (3.087047007163217*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/33.006 + " + + " (0.0 + (1.7396153620760586*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/34.014+ (0.0 + (0.2545911810163394 - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/18.015 + " + + "(0.7452197771115008 + (0.7452197771115058 - 0.7452197771115008) * 0.5*(1-tanh(1250*(x-0.04))))/28.014)) ", + "fluid_pp(1)%gamma": 1.0e00 / (1.9326e00 - 1.0e00), + "fluid_pp(1)%pi_inf": 0, + "fluid_pp(1)%Re(1)": 20000000, + "cantera_file": ctfile, +} + +if __name__ == "__main__": + print(json.dumps(case)) diff --git a/src/common/m_chemistry.fpp b/src/common/m_chemistry.fpp index b6b4eb255f..dd462d77f6 100644 --- a/src/common/m_chemistry.fpp +++ b/src/common/m_chemistry.fpp @@ -28,8 +28,8 @@ contains subroutine compute_viscosity_and_inversion(T_L, Ys_L, T_R, Ys_R, Re_L, Re_R) - $:GPU_ROUTINE(function_name='compute_viscosity_and_inversion',parallelism='[seq]', & - & cray_inline=True) + $:GPU_ROUTINE(function_name='compute_viscosity_and_inversion',parallelism='[seq]', & + & cray_inline=True) real(wp), intent(inout) :: T_L, T_R, Re_L, Re_R real(wp), dimension(num_species), intent(inout) :: Ys_R, Ys_L @@ -172,7 +172,7 @@ contains integer, dimension(3) :: offsets isc1 = irx; isc2 = iry; isc3 = irz - + $:GPU_UPDATE(device='[isc1,isc2,isc3]') if (chemistry) then diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 6a6bcc214f..fc805bbdc2 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -1447,11 +1447,11 @@ contains rhs_vf(i)%sf(j, k, l) = & rhs_vf(i)%sf(j, k, l) + 1._wp/dx(j)* & (flux_src_n(i)%sf(j - 1, k, l) & - - flux_src_n(i)%sf(j, k, l)) + - flux_src_n(i)%sf(j, k, l)) end do end do end do - end do + end do end if if (chem_params%diffusion) then @@ -1545,7 +1545,7 @@ contains else - if (viscous .or. surface_tension) then + if (viscous .or. surface_tension) then $:GPU_PARALLEL_LOOP(collapse=3) do l = 0, p do k = 0, n @@ -1555,14 +1555,14 @@ contains rhs_vf(i)%sf(j, k, l) = & rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & (flux_src_n(i)%sf(j, k - 1, l) & - - flux_src_n(i)%sf(j, k, l)) + - flux_src_n(i)%sf(j, k, l)) end do end do end do end do end if - if (chem_params%diffusion) then + if (chem_params%diffusion) then $:GPU_PARALLEL_LOOP(collapse=3) do l = 0, p do k = 0, n @@ -1570,20 +1570,20 @@ contains $:GPU_LOOP(parallelism='[seq]') do i = chemxb, chemxe rhs_vf(i)%sf(j, k, l) = & - rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & - (flux_src_n(i)%sf(j, k - 1, l) & - - flux_src_n(i)%sf(j, k, l)) + rhs_vf(i)%sf(j, k, l) + 1._wp/dy(k)* & + (flux_src_n(i)%sf(j, k - 1, l) & + - flux_src_n(i)%sf(j, k, l)) end do - if (.not. viscous) then - rhs_vf(E_idx)%sf(j, k, l) = & - rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dy(k)* & - (flux_src_n(E_idx)%sf(j, k - 1, l) & - - flux_src_n(E_idx)%sf(j, k, l)) - end if + if (.not. viscous) then + rhs_vf(E_idx)%sf(j, k, l) = & + rhs_vf(E_idx)%sf(j, k, l) + 1._wp/dy(k)* & + (flux_src_n(E_idx)%sf(j, k - 1, l) & + - flux_src_n(E_idx)%sf(j, k, l)) + end if end do end do end do - end if + end if end if ! Applying the geometrical viscous Riemann source fluxes calculated as average @@ -1666,7 +1666,7 @@ contains rhs_vf(i)%sf(j, k, l) = & rhs_vf(i)%sf(j, k, l) + 1._wp/dz(l)* & (flux_src_n(i)%sf(j, k, l - 1) & - - flux_src_n(i)%sf(j, k, l)) + - flux_src_n(i)%sf(j, k, l)) end do end do end do diff --git a/tests/140C353C/golden-metadata.txt b/tests/140C353C/golden-metadata.txt new file mode 100644 index 0000000000..aeb4525886 --- /dev/null +++ b/tests/140C353C/golden-metadata.txt @@ -0,0 +1,50 @@ +This file was created on 2025-07-10 22:23:10.956799. + +mfc.sh: + + Invocation: test -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) + +CPU: + + CPU Info: + From lscpu + Architecture: x86_64 + CPU op-mode(s): 32-bit, 64-bit + Address sizes: 39 bits physical, 48 bits virtual + Byte Order: Little Endian + CPU(s): 20 + On-line CPU(s) list: 0-19 + Vendor ID: GenuineIntel + Model name: 12th Gen Intel(R) Core(TM) i7-12700H + CPU family: 6 + Model: 154 + Thread(s) per core: 2 + Core(s) per socket: 10 + Socket(s): 1 + Stepping: 3 + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities + Virtualization: VT-x + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) + L3 cache: 24 MiB (1 instance) + Vulnerability Gather data sampling: Not affected + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Not affected + Vulnerability Reg file data sampling: Mitigation; Clear Register File + Vulnerability Retbleed: Mitigation; Enhanced IBRS + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S + Vulnerability Srbds: Not affected + Vulnerability Tsx async abort: Not affected + diff --git a/tests/140C353C/golden.txt b/tests/140C353C/golden.txt new file 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CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : + Invocation: test -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) CPU: @@ -116,25 +17,22 @@ CPU: CPU(s): 20 On-line CPU(s) list: 0-19 Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i9-12900HK + Model name: 12th Gen Intel(R) Core(TM) i7-12700H CPU family: 6 Model: 154 Thread(s) per core: 2 - Core(s) per socket: 14 + Core(s) per socket: 10 Socket(s): 1 Stepping: 3 - CPU(s) scaling MHz: 24% - CPU max MHz: 5000.0000 - CPU min MHz: 400.0000 - BogoMIPS: 5836.80 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf tsc_known_freq pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb intel_pt sha_ni xsaveopt xsavec xgetbv1 xsaves split_lock_detect user_shstk avx_vnni dtherm ida arat pln pts hwp hwp_notify hwp_act_window hwp_epp hwp_pkg_req hfi vnmi umip pku ospke waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize arch_lbr ibt flush_l1d arch_capabilities + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities Virtualization: VT-x - L1d cache: 544 KiB (14 instances) - L1i cache: 704 KiB (14 instances) - L2 cache: 11.5 MiB (8 instances) + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) L3 cache: 24 MiB (1 instance) - NUMA node(s): 1 - NUMA node0 CPU(s): 0-19 Vulnerability Gather data sampling: Not affected Vulnerability Itlb multihit: Not affected Vulnerability L1tf: Not affected @@ -142,9 +40,9 @@ CPU: Vulnerability Meltdown: Not affected Vulnerability Mmio stale data: Not affected Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Not affected + Vulnerability Retbleed: Mitigation; Enhanced IBRS Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S Vulnerability Srbds: Not affected diff --git a/tests/2BDE2018/golden.txt b/tests/2BDE2018/golden.txt index 0ca87e275e..e0180b5c89 100644 --- a/tests/2BDE2018/golden.txt +++ b/tests/2BDE2018/golden.txt @@ -1,56 +1,56 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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a/tests/4D7D85B4/golden-metadata.txt b/tests/4D7D85B4/golden-metadata.txt index 69f860fd74..7823c05b68 100644 --- a/tests/4D7D85B4/golden-metadata.txt +++ b/tests/4D7D85B4/golden-metadata.txt @@ -1,109 +1,10 @@ -This file was created on 2024-12-16 01:13:15.630552. +This file was created on 2025-07-10 22:22:54.126601. mfc.sh: - Invocation: test -o Chemistry --add-new-variables -j 20 - Lock: mpi=No & gpu=No & debug=No & gcov=No & unified=No - Git: 1da141a2a7ad5508845243ca0c8ccce8bb4b770f on qtsf-merge (dirty) - -simulation: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : + Invocation: test -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) CPU: @@ -116,25 +17,22 @@ CPU: CPU(s): 20 On-line CPU(s) list: 0-19 Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i9-12900HK + Model name: 12th Gen Intel(R) Core(TM) i7-12700H CPU family: 6 Model: 154 Thread(s) per core: 2 - Core(s) per socket: 14 + Core(s) per socket: 10 Socket(s): 1 Stepping: 3 - CPU(s) scaling MHz: 29% - CPU max MHz: 5000.0000 - CPU min MHz: 400.0000 - BogoMIPS: 5836.80 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf tsc_known_freq pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb intel_pt sha_ni xsaveopt xsavec xgetbv1 xsaves split_lock_detect user_shstk avx_vnni dtherm ida arat pln pts hwp hwp_notify hwp_act_window hwp_epp hwp_pkg_req hfi vnmi umip pku ospke waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize arch_lbr ibt flush_l1d arch_capabilities + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities Virtualization: VT-x - L1d cache: 544 KiB (14 instances) - L1i cache: 704 KiB (14 instances) - L2 cache: 11.5 MiB (8 instances) + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) L3 cache: 24 MiB (1 instance) - NUMA node(s): 1 - NUMA node0 CPU(s): 0-19 Vulnerability Gather data sampling: Not affected Vulnerability Itlb multihit: Not affected Vulnerability L1tf: Not affected @@ -142,9 +40,9 @@ CPU: Vulnerability Meltdown: Not affected Vulnerability Mmio stale data: Not affected Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Not affected + Vulnerability Retbleed: Mitigation; Enhanced IBRS Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S Vulnerability Srbds: Not affected diff --git a/tests/4D7D85B4/golden.txt b/tests/4D7D85B4/golden.txt index 4936acccd1..0bc4f29dd7 100644 --- a/tests/4D7D85B4/golden.txt +++ b/tests/4D7D85B4/golden.txt @@ -1,56 +1,56 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : + Invocation: test -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) CPU: @@ -116,25 +17,22 @@ CPU: CPU(s): 20 On-line CPU(s) list: 0-19 Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i9-12900HK + Model name: 12th Gen Intel(R) Core(TM) i7-12700H CPU family: 6 Model: 154 Thread(s) per core: 2 - Core(s) per socket: 14 + Core(s) per socket: 10 Socket(s): 1 Stepping: 3 - CPU(s) scaling MHz: 38% - CPU max MHz: 5000.0000 - CPU min MHz: 400.0000 - BogoMIPS: 5836.80 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf tsc_known_freq pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb intel_pt sha_ni xsaveopt xsavec xgetbv1 xsaves split_lock_detect user_shstk avx_vnni dtherm ida arat pln pts hwp hwp_notify hwp_act_window hwp_epp hwp_pkg_req hfi vnmi umip pku ospke waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize arch_lbr ibt flush_l1d arch_capabilities + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities Virtualization: VT-x - L1d cache: 544 KiB (14 instances) - L1i cache: 704 KiB (14 instances) - L2 cache: 11.5 MiB (8 instances) + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) L3 cache: 24 MiB (1 instance) - NUMA node(s): 1 - NUMA node0 CPU(s): 0-19 Vulnerability Gather data sampling: Not affected Vulnerability Itlb multihit: Not affected Vulnerability L1tf: Not affected @@ -142,9 +40,9 @@ CPU: Vulnerability Meltdown: Not affected Vulnerability Mmio stale data: Not affected Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Not affected + Vulnerability Retbleed: Mitigation; Enhanced IBRS Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S Vulnerability Srbds: Not affected diff --git a/tests/6B3AE48F/golden-metadata.txt b/tests/6B3AE48F/golden-metadata.txt index 238fde2c16..8734a4e9ce 100644 --- a/tests/6B3AE48F/golden-metadata.txt +++ b/tests/6B3AE48F/golden-metadata.txt @@ -1,109 +1,10 @@ -This file was created on 2024-12-16 01:13:15.571698. +This file was created on 2025-07-10 22:23:00.292326. mfc.sh: - Invocation: test -o Chemistry --add-new-variables -j 20 - Lock: mpi=No & gpu=No & debug=No & gcov=No & unified=No - Git: 1da141a2a7ad5508845243ca0c8ccce8bb4b770f on qtsf-merge (dirty) - -simulation: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : + Invocation: test -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) CPU: @@ -116,25 +17,22 @@ CPU: CPU(s): 20 On-line CPU(s) list: 0-19 Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i9-12900HK + Model name: 12th Gen Intel(R) Core(TM) i7-12700H CPU family: 6 Model: 154 Thread(s) per core: 2 - Core(s) per socket: 14 + Core(s) per socket: 10 Socket(s): 1 Stepping: 3 - CPU(s) scaling MHz: 25% - CPU max MHz: 5000.0000 - CPU min MHz: 400.0000 - BogoMIPS: 5836.80 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf tsc_known_freq pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb intel_pt sha_ni xsaveopt xsavec xgetbv1 xsaves split_lock_detect user_shstk avx_vnni dtherm ida arat pln pts hwp hwp_notify hwp_act_window hwp_epp hwp_pkg_req hfi vnmi umip pku ospke waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize arch_lbr ibt flush_l1d arch_capabilities + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities Virtualization: VT-x - L1d cache: 544 KiB (14 instances) - L1i cache: 704 KiB (14 instances) - L2 cache: 11.5 MiB (8 instances) + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) L3 cache: 24 MiB (1 instance) - NUMA node(s): 1 - NUMA node0 CPU(s): 0-19 Vulnerability Gather data sampling: Not affected Vulnerability Itlb multihit: Not affected Vulnerability L1tf: Not affected @@ -142,9 +40,9 @@ CPU: Vulnerability Meltdown: Not affected Vulnerability Mmio stale data: Not affected Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Not affected + Vulnerability Retbleed: Mitigation; Enhanced IBRS Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S Vulnerability Srbds: Not affected diff --git a/tests/6B3AE48F/golden.txt b/tests/6B3AE48F/golden.txt index 5afdd47d26..7e54f71e35 100644 --- a/tests/6B3AE48F/golden.txt +++ b/tests/6B3AE48F/golden.txt @@ -1,56 +1,56 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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+This file was created on 2025-07-10 22:23:03.197339. mfc.sh: - Invocation: test -o Chemistry --add-new-variables -j 20 - Lock: mpi=No & gpu=No & debug=No & gcov=No & unified=No - Git: 1da141a2a7ad5508845243ca0c8ccce8bb4b770f on qtsf-merge (dirty) - -simulation: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on henry-XPS-15-9520 - - C : GNU v13.2.0 (/usr/bin/cc) - Fortran : GNU v13.2.0 (/usr/bin/gfortran) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : OFF - OpenACC : OFF - - Fypp : /home/henry/dev/ChemMFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /usr/bin/cc - CXX : /usr/bin/c++ - FC : /usr/bin/gfortran - OMPI_CC : - OMPI_CXX : - OMPI_FC : + Invocation: test -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) CPU: @@ -116,25 +17,22 @@ CPU: CPU(s): 20 On-line CPU(s) list: 0-19 Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i9-12900HK + Model name: 12th Gen Intel(R) Core(TM) i7-12700H CPU family: 6 Model: 154 Thread(s) per core: 2 - Core(s) per socket: 14 + Core(s) per socket: 10 Socket(s): 1 Stepping: 3 - CPU(s) scaling MHz: 35% - CPU max MHz: 5000.0000 - CPU min MHz: 400.0000 - BogoMIPS: 5836.80 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx pdpe1gb rdtscp lm constant_tsc art arch_perfmon pebs bts rep_good nopl xtopology nonstop_tsc cpuid aperfmperf tsc_known_freq pni pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 sdbg fma cx16 xtpr pdcm pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand lahf_lm abm 3dnowprefetch cpuid_fault epb ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow flexpriority ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb intel_pt sha_ni xsaveopt xsavec xgetbv1 xsaves split_lock_detect user_shstk avx_vnni dtherm ida arat pln pts hwp hwp_notify hwp_act_window hwp_epp hwp_pkg_req hfi vnmi umip pku ospke waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize arch_lbr ibt flush_l1d arch_capabilities + BogoMIPS: 5375.99 + Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities Virtualization: VT-x - L1d cache: 544 KiB (14 instances) - L1i cache: 704 KiB (14 instances) - L2 cache: 11.5 MiB (8 instances) + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) L3 cache: 24 MiB (1 instance) - NUMA node(s): 1 - NUMA node0 CPU(s): 0-19 Vulnerability Gather data sampling: Not affected Vulnerability Itlb multihit: Not affected Vulnerability L1tf: Not affected @@ -142,9 +40,9 @@ CPU: Vulnerability Meltdown: Not affected Vulnerability Mmio stale data: Not affected Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Not affected + Vulnerability Retbleed: Mitigation; Enhanced IBRS Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S Vulnerability Srbds: Not affected diff --git a/tests/F8ADA51B/golden.txt b/tests/F8ADA51B/golden.txt index f1aff10f20..dc9feb7eda 100644 --- a/tests/F8ADA51B/golden.txt +++ b/tests/F8ADA51B/golden.txt @@ -1,56 +1,56 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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'bc_x%beg': -1, 'bc_x%end': -1, "weno_order": 5,"weno_eps": 1e-16, "weno_avg": "F", - "mapped_weno": "T", "mp_weno": "T",'weno_Re_flux': 'F', "riemann_solver": 2, "wave_speeds": 2, - "avg_state": 1,"chemistry": "T", "chem_params%diffusion": "T","chem_params%reactions": "F", "chem_wrt_T" : "T", - "patch_icpp(1)%geometry": 1, "patch_icpp(1)%x_centroid": 0.05 / 2, "patch_icpp(1)%length_x": 0.05, - "patch_icpp(1)%vel(1)": "0", "patch_icpp(1)%pres": 1.01325e5, "patch_icpp(1)%alpha(1)": 1, - "patch_icpp(1)%Y(1)": "(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142", - "patch_icpp(1)%Y(2)": "(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1", - "patch_icpp(1)%Y(3)": "(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0", - "patch_icpp(1)%Y(4)": "(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758", - "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))", - "fluid_pp(1)%gamma": 1.0e00 / (1.9326e00 - 1.0e00), "fluid_pp(1)%pi_inf": 0, "cantera_file": "h2o2.yaml", 't_step_start': 0, 't_step_stop': 400, 't_step_save': 400 + + stack.push(f'1D -> Chemistry -> MultiComponent_Diffusion', {'m': 200, + 'dt': 0.1e-06, 'num_patches': 1, 'num_fluids': 1, 'x_domain%beg': 0.0, 'x_domain%end': 0.05, + 'num_fluids': 1, 'bc_x%beg': -1, 'bc_x%end': -1, 'weno_order': 5,'weno_eps': 1e-16, 'weno_avg': 'F', + 'mapped_weno': 'T', 'mp_weno': 'T','weno_Re_flux': 'F', 'riemann_solver': 2, 'wave_speeds': 1, + 'avg_state': 1,'chemistry': 'T', 'chem_params%diffusion': 'T','chem_params%reactions': 'F', 'chem_wrt_T' : 'T', + 'patch_icpp(1)%geometry': 1, 'patch_icpp(1)%x_centroid': 0.05 / 2, 'patch_icpp(1)%length_x': 0.05, + 'patch_icpp(1)%vel(1)': '0', 'patch_icpp(1)%pres': 1.01325e5, 'patch_icpp(1)%alpha(1)': 1, + 'patch_icpp(1)%Y(1)': '(0.195-0.142)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142', + 'patch_icpp(1)%Y(2)': '(0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1', + 'patch_icpp(1)%Y(3)': '(0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0', + 'patch_icpp(1)%Y(4)': '(0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758', + 'patch_icpp(1)%alpha_rho(1)': '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', + 'fluid_pp(1)%gamma': 1.0e00 / (1.9326e00 - 1.0e00), 'fluid_pp(1)%pi_inf': 0, 'cantera_file': 'h2o2.yaml', 't_step_start': 0, 't_step_stop': 50, 't_step_save': 50 }) - cases.append(define_case_d(stack, '', {})) + cases.append(define_case_d(stack, '', {},override_tol=10**(-10))) + + cases.append(define_case_f( + f'1D -> Chemistry -> Premixed Flame', + 'examples/1D_Premixed_Flame/case.py', + mods={ + 't_step_stop': 100, 't_step_save': 100, 'm': 200 + }, + override_tol=10**(-10) + )) stack.pop() From 71ea1f2b4c8ee8a58293b38e1ff439b1fcb506cf Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 10 Jul 2025 22:31:01 -0400 Subject: [PATCH 31/43] Final Changes v2 --- Inert | 486 ---------------------------------------------------------- 1 file changed, 486 deletions(-) delete mode 100644 Inert diff --git a/Inert b/Inert deleted file mode 100644 index c825eed5b1..0000000000 --- a/Inert +++ /dev/null @@ -1,486 +0,0 @@ -mfc: OK > (venv) Entered the Python 3.12.3 virtual environment (>= 3.9). - - .=++*: -+*+=. | pain@UchihaMadara [Linux] - :+ -*- == =* . | ------------------------- - :*+ == ++ .+- | - :*##-.....:*+ .#%+++=--+=:::. | --jobs 1 - -=-++-======#=--**+++==+*++=::-:. | --mpi --no-gpu --no-debug --no-gcov --no-unified --no-single - .:++=----------====+*= ==..:%..... | - .:-=++++===--==+=-+= +. := | - +#=::::::::=%=. -+: =+ *: | ---------------------------------------------------------- - .*=-=*=.. :=+*+: -...-- | $ ./mfc.sh (build, run, test, clean, count, packer) --help - - - Test pre_process and simulation | Only 1D, -, -, and Shocktube (0 tests) - - tests/UUID (s) Summary - - - - -Test Summary: 0 passed, 0 failed, 460 skipped. - - Skipped Cases - - 2D -> IBM -> STL - 3D -> IBM -> STL - 1D -> bc=-1 - 1D -> bc=-2 - 1D -> bc=-4 - 1D -> bc=-5 - 1D -> bc=-6 - 1D -> bc=-7 - 1D -> bc=-8 - 1D -> bc=-9 - 1D -> bc=-10 - 1D -> bc=-11 - 1D -> bc=-12 - 1D -> bc=-3 - 1D -> bc=-15 - 1D -> bc=-16 - 1D -> bc=-17 - 1D -> grcbc x - 1D -> weno_order=3 - 1D -> weno_order=3 -> wenoz=T - 1D -> weno_order=3 -> mapped_weno=T - 1D -> weno_order=5 - 1D -> weno_order=5 -> mp_weno=T - 1D -> weno_order=5 -> teno=T - 1D -> weno_order=5 -> wenoz=T - 1D -> weno_order=5 -> mapped_weno=T - 1D -> weno_order=7 - 1D -> weno_order=7 -> teno=T - 1D -> weno_order=7 -> wenoz=T - 1D -> weno_order=7 -> mapped_weno=T - 1D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err - 1D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 1D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err - 1D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 1D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 1D -> 1 Fluid(s) -> Viscous - 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux - 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 1D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err - 1D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 1D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 1D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim - 1D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err - 1D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed - 1D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim - 1D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 1D -> 2 Fluid(s) -> Viscous - 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux - 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 1D -> 2 MPI Ranks - 1D -> Acoustic Source -> Sine -> Frequency - 1D -> Acoustic Source -> Sine -> Wavelength - 1D -> Acoustic Source -> Sine -> Delay - 1D -> Acoustic Source -> Sine -> Number of Pulses - 1D -> Acoustic Source -> Square -> Frequency - 1D -> Acoustic Source -> Square -> Wavelength - 1D -> Acoustic Source -> Square -> Delay - 1D -> Acoustic Source -> Square -> Number of Pulses - 1D -> Acoustic Source -> Gaussian -> Sigma Time - 1D -> Acoustic Source -> Gaussian -> Sigma Dist - 1D -> Acoustic Source -> Gaussian -> Dipole - 1D -> Bubbles -> Polytropic -> bubble_model=3 - 1D -> Bubbles -> Polytropic -> bubble_model=2 - 1D -> Bubbles -> bubble_model=2 - 1D -> Bubbles -> nb=1 - 1D -> Bubbles -> adv_n=T - 1D -> Bubbles -> adv_n=T -> adap_dt=T - 1D -> Bubbles -> artificial_Ma - 1D -> Bubbles -> low_Mach=1 - 1D -> Bubbles -> low_Mach=2 - 1D -> Bubbles -> QBMM - 1D -> Bubbles -> QBMM -> Non-polytropic - 1D -> Bubbles -> QBMM -> bubble_model=3 - 1D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic - 1D -> Hypoelasticity -> 1 Fluid(s) - 1D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage - 1D -> Hypoelasticity -> 2 Fluid(s) - 1D -> Phase Change model 5 -> 2 Fluid(s) - 1D -> Phase Change model 5 -> 3 Fluid(s) - 1D -> Phase Change model 6 -> 2 Fluid(s) - 1D -> Phase Change model 6 -> 3 Fluid(s) - 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 - 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 - 1D -> Viscosity -> Bubbles -> bubble_model=2 - 1D -> Viscosity -> Bubbles -> nb=1 - 1D -> Viscosity -> Bubbles -> QBMM - 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 - 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T - 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T - 1D -> Smoothing - 1D -> Bodyforces - 1D -> Bodyforces -> cfl_adap_dt=T - 2D -> bc=-1 - 2D -> bc=-2 - 2D -> bc=-4 - 2D -> bc=-5 - 2D -> bc=-6 - 2D -> bc=-7 - 2D -> bc=-8 - 2D -> bc=-9 - 2D -> bc=-10 - 2D -> bc=-11 - 2D -> bc=-12 - 2D -> bc=-3 - 2D -> bc=-15 - 2D -> bc=-16 - 2D -> bc=-17 - 2D -> grcbc x - 2D -> grcbc y - 2D -> weno_order=3 - 2D -> weno_order=3 -> wenoz=T - 2D -> weno_order=3 -> mapped_weno=T - 2D -> weno_order=5 - 2D -> weno_order=5 -> mp_weno=T - 2D -> weno_order=5 -> teno=T - 2D -> weno_order=5 -> wenoz=T - 2D -> weno_order=5 -> mapped_weno=T - 2D -> weno_order=7 - 2D -> weno_order=7 -> teno=T - 2D -> weno_order=7 -> wenoz=T - 2D -> weno_order=7 -> mapped_weno=T - 2D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err - 2D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 2D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err - 2D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 2D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 2D -> 1 Fluid(s) -> IBM -> Rectangle -> slip - 2D -> 1 Fluid(s) -> IBM -> Circle -> slip - 2D -> 1 Fluid(s) -> IBM -> Rectangle - 2D -> 1 Fluid(s) -> IBM -> Circle - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle -> slip - 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle - 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 - 2D -> 1 Fluid(s) -> Viscous - 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux - 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 2D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 - 2D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err - 2D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 2D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 2D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim - 2D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err - 2D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed - 2D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim - 2D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 2D -> 2 Fluid(s) -> IBM -> Rectangle -> slip - 2D -> 2 Fluid(s) -> IBM -> Circle -> slip - 2D -> 2 Fluid(s) -> IBM -> Rectangle - 2D -> 2 Fluid(s) -> IBM -> Circle - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle -> slip - 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle - 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 - 2D -> 2 Fluid(s) -> Viscous - 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux - 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 2D -> Axisymmetric -> model_eqns=2 - 2D -> Axisymmetric -> model_eqns=3 - 2D -> Axisymmetric -> HLL - 2D -> Axisymmetric -> Viscous - 2D -> Axisymmetric -> Viscous -> weno_Re_flux - 2D -> Axisymmetric -> Viscous -> weno_Re_flux -> weno_avg - 2D -> 2 MPI Ranks - 2D -> Acoustic Source -> Planar -> support=2 - 2D -> Acoustic Source -> Planar -> support=2 -> Dipole - 2D -> Acoustic Source -> Transducer -> support=5 -> Sine - 2D -> Acoustic Source -> Transducer -> support=5 -> Gaussian - 2D -> Acoustic Source -> Transducer -> support=5 -> Delay - 2D -> Acoustic Source -> Transducer -> support=6 -> Sine - 2D -> Acoustic Source -> Transducer -> support=6 -> Gaussian - 2D -> Acoustic Source -> Transducer -> support=6 -> Delay - 2D -> Acoustic Source -> Transducer Array -> support=9 -> All Elements - 2D -> Acoustic Source -> Transducer Array -> support=9 -> One element - 2D -> Acoustic Source -> Transducer Array -> support=10 - 2D -> Bubbles -> Polytropic -> bubble_model=3 - 2D -> Bubbles -> Polytropic -> bubble_model=2 - 2D -> Bubbles -> bubble_model=2 - 2D -> Bubbles -> nb=1 - 2D -> Bubbles -> adv_n=T - 2D -> Bubbles -> adv_n=T -> adap_dt=T - 2D -> Bubbles -> artificial_Ma - 2D -> Bubbles -> low_Mach=1 - 2D -> Bubbles -> low_Mach=2 - 2D -> Bubbles -> QBMM - 2D -> Bubbles -> QBMM -> Non-polytropic - 2D -> Bubbles -> QBMM -> bubble_model=3 - 2D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic - 2D -> Hypoelasticity -> 1 Fluid(s) - 2D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage - 2D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 - 2D -> Hypoelasticity -> 1 Fluid(s) -> Axisymmetric - 2D -> Hypoelasticity -> 2 Fluid(s) - 2D -> Phase Change model 5 -> 2 Fluid(s) - 2D -> Phase Change model 5 -> 3 Fluid(s) - 2D -> Phase Change model 6 -> 3 Fluid(s) - 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 - 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 - 2D -> Viscosity -> Bubbles -> bubble_model=2 - 2D -> Viscosity -> Bubbles -> nb=1 - 2D -> Viscosity -> Bubbles -> QBMM - 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 - 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T - 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T - 2D -> Smoothing - 2D -> Bodyforces - 2D -> Bodyforces -> cfl_adap_dt=T - 2D -> BC Patches -> Line Segment -> X - 2D -> BC Patches -> Line Segment -> Y - 3D -> bc=-1 - 3D -> bc=-2 - 3D -> bc=-4 - 3D -> bc=-5 - 3D -> bc=-6 - 3D -> bc=-7 - 3D -> bc=-8 - 3D -> bc=-9 - 3D -> bc=-10 - 3D -> bc=-11 - 3D -> bc=-12 - 3D -> bc=-3 - 3D -> bc=-15 - 3D -> bc=-16 - 3D -> bc=-17 - 3D -> grcbc x - 3D -> grcbc y - 3D -> grcbc z - 3D -> weno_order=3 - 3D -> weno_order=3 -> wenoz=T - 3D -> weno_order=3 -> mapped_weno=T - 3D -> weno_order=5 - 3D -> weno_order=5 -> mp_weno=T - 3D -> weno_order=5 -> teno=T - 3D -> weno_order=5 -> wenoz=T - 3D -> weno_order=5 -> mapped_weno=T - 3D -> weno_order=7 - 3D -> weno_order=7 -> teno=T - 3D -> weno_order=7 -> wenoz=T - 3D -> weno_order=7 -> mapped_weno=T - 3D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err - 3D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 3D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err - 3D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 3D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 3D -> 1 Fluid(s) -> IBM -> Sphere -> slip - 3D -> 1 Fluid(s) -> IBM -> Cuboid -> slip - 3D -> 1 Fluid(s) -> IBM -> Cylinder -> slip - 3D -> 1 Fluid(s) -> IBM -> Sphere - 3D -> 1 Fluid(s) -> IBM -> Cuboid - 3D -> 1 Fluid(s) -> IBM -> Cylinder - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere -> slip - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder - 3D -> 1 Fluid(s) -> Viscous - 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux - 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 3D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 - 3D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err - 3D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 3D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 3D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim - 3D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err - 3D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed - 3D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim - 3D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 3D -> 2 Fluid(s) -> IBM -> Sphere -> slip - 3D -> 2 Fluid(s) -> IBM -> Cuboid -> slip - 3D -> 2 Fluid(s) -> IBM -> Cylinder -> slip - 3D -> 2 Fluid(s) -> IBM -> Sphere - 3D -> 2 Fluid(s) -> IBM -> Cuboid - 3D -> 2 Fluid(s) -> IBM -> Cylinder - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere -> slip - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder - 3D -> 2 Fluid(s) -> Viscous - 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux - 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 3D -> Cylindrical -> model_eqns=2 - 3D -> Cylindrical -> cfl_adap_dt=T - 3D -> Cylindrical -> Viscous - 3D -> Cylindrical -> Viscous -> weno_Re_flux - 3D -> Cylindrical -> Viscous -> weno_Re_flux -> weno_avg - 3D -> Lagrange Bubbles -> One-way Coupling - 3D -> Lagrange Bubbles -> Two-way Coupling - 3D -> Lagrange Bubbles -> One-way Coupling -> adap_dt=T - 3D -> Lagrange Bubbles -> Two-way Coupling -> adap_dt=T - 3D -> 2 MPI Ranks - 3D -> Acoustic Source -> Planar -> support=3 - 3D -> Acoustic Source -> Planar -> support=3 -> Dipole - 3D -> Acoustic Source -> Transducer -> support=7 - 3D -> Acoustic Source -> Transducer Array -> support=11 -> All Elements - 3D -> Acoustic Source -> Transducer Array -> support=11 -> One element - 3D -> Bubbles -> Polytropic -> bubble_model=3 - 3D -> Bubbles -> Polytropic -> bubble_model=2 - 3D -> Bubbles -> bubble_model=2 - 3D -> Bubbles -> nb=1 - 3D -> Bubbles -> adv_n=T - 3D -> Bubbles -> adv_n=T -> adap_dt=T - 3D -> Bubbles -> artificial_Ma - 3D -> Bubbles -> low_Mach=1 - 3D -> Bubbles -> low_Mach=2 - 3D -> Bubbles -> QBMM - 3D -> Bubbles -> QBMM -> Non-polytropic - 3D -> Bubbles -> QBMM -> bubble_model=3 - 3D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic - 3D -> Hypoelasticity -> 1 Fluid(s) - 3D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage - 3D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 - 3D -> Hypoelasticity -> 2 Fluid(s) - 3D -> Phase Change model 5 -> 2 Fluid(s) - 3D -> Phase Change model 5 -> 3 Fluid(s) - 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 - 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 - 3D -> Viscosity -> Bubbles -> bubble_model=2 - 3D -> Viscosity -> Bubbles -> nb=1 - 3D -> Viscosity -> Bubbles -> QBMM - 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 - 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T - 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T - 3D -> Smoothing - 3D -> Bodyforces - 3D -> Bodyforces -> cfl_adap_dt=T - 3D -> mixlayer_perturb - 3D -> BC Patches -> Circle -> X - 3D -> BC Patches -> Circle -> Y - 3D -> BC Patches -> Circle -> Z - 1D -> MHD -> HLL - 1D -> MHD -> HLLD - 1D -> RMHD - 2D -> MHD -> HLL - 2D -> MHD -> HLLD - 2D -> MHD -> Powell - 2D -> RMHD - 3D -> MHD - 3D -> RMHD - 2D -> Example -> shock_cloud_rmhd - 2D -> Example -> phasechange_bubble - 2D -> Example -> ibm - 3D -> Example -> acoustic_support3 - 1D -> Example -> impact - 3D -> Example -> phasechange_bubble - 1D -> Example -> hypo_2materials - 2D -> Example -> lid_driven_cavity - 3D -> Example -> acoustic_support11 - 2D -> Example -> acoustic_support10_axisym - 1D -> Example -> acoustic_sine_wavelength - 2D -> Example -> axisym_shockbubble - 1D -> Example -> bubblescreen - 1D -> Example -> cont_damage - 1D -> Example -> exp_bubscreen - 2D -> Example -> zero_circ_vortex - 3D -> Example -> TaylorGreenVortex - 1D -> Example -> brio_wu_rmhd - 2D -> Example -> acoustic_pulse - 2D -> Example -> rayleigh_taylor - 1D -> Example -> qbmm - 1D -> Example -> shuosher_old - 2D -> Example -> 5wave_quasi1D - 2D -> Example -> orszag_tang_powell - 2D -> Example -> whale_bubble_annulus - 2D -> Example -> isentropicvortex - 2D -> Example -> orszag_tang - 1D -> Example -> kapilashocktube - 1D -> Example -> acoustic_gauss_sigmadist - 1D -> Example -> laxshocktube - 1D -> Example -> poly_bubscreen - 3D -> Example -> recovering_sphere - 1D -> Example -> acoustic_gauss_sigmatime - 2D -> Example -> GreshoVortex - 2D -> Example -> lungwave - 1D -> Example -> vacuum_restart - 1D -> Example -> shuosher_wenojs5 - 3D -> Example -> ibm_stl_test - 2D -> Example -> acoustic_support6_axisym - 1D -> Example -> acoustic_dipole - 2D -> Example -> ibm_stl_test - 2D -> Example -> ibm_stl_MFCCharacter - 2D -> Example -> shockbubble - 2D -> Example -> shocktube_phasechange - 1D -> Example -> exp_tube_phasechange - 1D -> Example -> acoustic_sine_frequency - 3D -> Example -> acoustic_support7 - 1D -> Example -> vacuum - 1D -> Example -> shuosher_wenoz5 - 2D -> Example -> acoustic_support9 - 2D -> Example -> acoustic_support5 - 1D -> Example -> shuosher_teno7 - 3D -> Example -> shockdroplet - 3D -> Example -> lagrange_shbubcollapse - 1D -> Example -> shuosher_wenom5 - 2D -> Example -> jet - 1D -> Example -> dai_woodward - 1D -> Example -> shuosher_teno5 - 2D -> Example -> shockdroplet - 2D -> Example -> acoustic_support2 - 2D -> Example -> lungwave_horizontal - 2D -> Example -> ibm_airfoil - 1D -> Example -> brio_wu_hlld - 2D -> Example -> axisym_hypoelasticity - 2D -> Example -> TaylorGreenVortex - 2D -> Example -> axisym_shockwatercavity - 3D -> Example -> rayleigh_taylor - 2D -> Example -> cont_damage - 1D -> Example -> brio_wu - 1D -> Example -> titarevtorro - nD -> Example -> perfect_reactor - 1D -> Example -> sodshocktube - 2D -> Example -> shearlayer - 0D -> Example -> bubblecollapse_adap - 3D -> Example -> brio_wu - 2D -> Example -> riemann_test - 1D -> Example -> dai_woodward_hlld - 1D -> Chemistry -> Perfect Reactor - 2D -> Chemistry -> Perfect Reactor - 3D -> Chemistry -> Perfect Reactor - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 1 - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 2 - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 1 - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 2 - 1D -> Chemistry -> MultiComponent_Diffusion - -mfc: (venv) Exiting the Python virtual environment. From 7d16c6c90658ae4e42f2564df6f1698be3f21108 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 10 Jul 2025 22:31:29 -0400 Subject: [PATCH 32/43] Final Changes v3 --- Chemistry | 0 1 file changed, 0 insertions(+), 0 deletions(-) delete mode 100644 Chemistry diff --git a/Chemistry b/Chemistry deleted file mode 100644 index e69de29bb2..0000000000 From 61b88eedd1d3c5031dbf3c917842f72f4496b7b4 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Thu, 10 Jul 2025 22:36:20 -0400 Subject: [PATCH 33/43] Final Changes v4 --- examples/1D_reactive_shocktube/case.py | 18 +++++++----------- 1 file changed, 7 insertions(+), 11 deletions(-) diff --git a/examples/1D_reactive_shocktube/case.py b/examples/1D_reactive_shocktube/case.py index 65fe802767..8a8edce66d 100644 --- a/examples/1D_reactive_shocktube/case.py +++ b/examples/1D_reactive_shocktube/case.py @@ -37,7 +37,7 @@ u_r = -487.34 L = 0.12 -Nx = 100 * args.scale +Nx = 400 * args.scale dx = L / Nx dt = dx / abs(u_r) * 0.02 Tend = 230e-6 @@ -50,20 +50,16 @@ # Logistics "run_time_info": "T", # Computational Domain Parameters - "x_domain%beg": -L / 2, - "x_domain%end": L / 2, - "stretch_x": "T", - "a_x": 20, - "x_a": -L / 8, - "x_b": L / 8, + "x_domain%beg": 0, + "x_domain%end": L, "m": Nx, "n": 0, "p": 0, "dt": float(dt), "t_step_start": 0, - "t_step_stop": 1, - "t_step_save": 1, - "t_step_print": 1, + "t_step_stop": NT, + "t_step_save": NS, + "t_step_print": NS, "parallel_io": "F" if args.mfc.get("mpi", True) else "F", # Simulation Algorithm Parameters "model_eqns": 2, @@ -100,7 +96,7 @@ "patch_icpp(1)%alpha(1)": 1, "patch_icpp(1)%alpha_rho(1)": sol_L.density, "patch_icpp(2)%geometry": 1, - "patch_icpp(2)%x_centroid": -L / 4, + "patch_icpp(2)%x_centroid": 3 * L / 4, "patch_icpp(2)%length_x": L / 2, "patch_icpp(2)%vel(1)": u_r, "patch_icpp(2)%pres": sol_R.P, From 42e8f58326caef379e6996ba43d3be7efb097757 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sat, 12 Jul 2025 11:20:08 -0400 Subject: [PATCH 34/43] Small Stuff --- toolchain/mfc/test/cases.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 4c6cca7821..372b6441a1 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -991,7 +991,7 @@ def chemistry_cases(): stack.push(f'1D -> Chemistry -> MultiComponent_Diffusion', {'m': 200, 'dt': 0.1e-06, 'num_patches': 1, 'num_fluids': 1, 'x_domain%beg': 0.0, 'x_domain%end': 0.05, - 'num_fluids': 1, 'bc_x%beg': -1, 'bc_x%end': -1, 'weno_order': 5,'weno_eps': 1e-16, 'weno_avg': 'F', + 'bc_x%beg': -1, 'bc_x%end': -1, 'weno_order': 5,'weno_eps': 1e-16, 'weno_avg': 'F', 'mapped_weno': 'T', 'mp_weno': 'T','weno_Re_flux': 'F', 'riemann_solver': 2, 'wave_speeds': 1, 'avg_state': 1,'chemistry': 'T', 'chem_params%diffusion': 'T','chem_params%reactions': 'F', 'chem_wrt_T' : 'T', 'patch_icpp(1)%geometry': 1, 'patch_icpp(1)%x_centroid': 0.05 / 2, 'patch_icpp(1)%length_x': 0.05, From 86ed9845e5de73f7b779c9f59e1f3ca43a9862b6 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sat, 12 Jul 2025 11:24:06 -0400 Subject: [PATCH 35/43] Small v3 --- toolchain/mfc/test/cases.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 372b6441a1..9334aa5346 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -936,7 +936,7 @@ def foreach_example(): continue # # List of currently broken examples -> currently attempting to fix! - brokenCases = ["2D_ibm_cfl_dt", "1D_sodHypo", "2D_viscous", "2D_laplace_pressure_jump", "2D_bubbly_steady_shock", "2D_advection", "2D_hardcodied_ic", "2D_ibm_multiphase", "2D_acoustic_broadband", "1D_inert_shocktube", "1D_reactive_shocktube", "2D_ibm_steady_shock", "3D_performance_test", "3D_ibm_stl_ellipsoid", "3D_sphbubcollapse", "2D_ibm_stl_wedge", "3D_ibm_stl_pyramid", "3D_ibm_bowshock", "3D_turb_mixing", "2D_mixing_artificial_Ma", "2D_lagrange_bubblescreen", "3D_lagrange_bubblescreen", "2D_triple_point"] + brokenCases = ["2D_ibm_cfl_dt", "1D_sodHypo", "2D_viscous", "2D_laplace_pressure_jump", "2D_bubbly_steady_shock", "2D_advection", "2D_hardcodied_ic", "2D_ibm_multiphase", "2D_acoustic_broadband", "1D_inert_shocktube", "1D_reactive_shocktube", "1D_Premixed_Flame", "2D_ibm_steady_shock", "3D_performance_test", "3D_ibm_stl_ellipsoid", "3D_sphbubcollapse", "2D_ibm_stl_wedge", "3D_ibm_stl_pyramid", "3D_ibm_bowshock", "3D_turb_mixing", "2D_mixing_artificial_Ma", "2D_lagrange_bubblescreen", "3D_lagrange_bubblescreen", "2D_triple_point"] if path in brokenCases: continue name = f"{path.split('_')[0]} -> Example -> {'_'.join(path.split('_')[1:])}" From c794936534801b1c02dca2b17c2c2169797d5954 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 13 Jul 2025 13:05:42 -0400 Subject: [PATCH 36/43] WhiteSpace --- toolchain/mfc/test/cases.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 9334aa5346..d5d9f97a41 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -988,7 +988,7 @@ def chemistry_cases(): }, override_tol=10**(-11) )) - + stack.push(f'1D -> Chemistry -> MultiComponent_Diffusion', {'m': 200, 'dt': 0.1e-06, 'num_patches': 1, 'num_fluids': 1, 'x_domain%beg': 0.0, 'x_domain%end': 0.05, 'bc_x%beg': -1, 'bc_x%end': -1, 'weno_order': 5,'weno_eps': 1e-16, 'weno_avg': 'F', @@ -1004,7 +1004,7 @@ def chemistry_cases(): 'fluid_pp(1)%gamma': 1.0e00 / (1.9326e00 - 1.0e00), 'fluid_pp(1)%pi_inf': 0, 'cantera_file': 'h2o2.yaml', 't_step_start': 0, 't_step_stop': 50, 't_step_save': 50 }) cases.append(define_case_d(stack, '', {},override_tol=10**(-10))) - + cases.append(define_case_f( f'1D -> Chemistry -> Premixed Flame', 'examples/1D_Premixed_Flame/case.py', From d4453573dc6e2f9701b3181f219fb5ceb22674ec Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 13 Jul 2025 13:21:29 -0400 Subject: [PATCH 37/43] Small Stuff --- examples/1D_Premixed_Flame/case.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/1D_Premixed_Flame/case.py b/examples/1D_Premixed_Flame/case.py index 6f084d91c9..c23639451b 100644 --- a/examples/1D_Premixed_Flame/case.py +++ b/examples/1D_Premixed_Flame/case.py @@ -75,7 +75,7 @@ "patch_icpp(1)%Y(7)": "(0.0 + (3.087047007163217*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", "patch_icpp(1)%Y(8)": "(0.0 + (1.7396153620760586*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", "patch_icpp(1)%Y(6)": "(0.0 + (0.2545911810163394 - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(10)": "0.0", + "patch_icpp(1)%Y(9)": "0.0", "patch_icpp(1)%Y(10)": "(0.7452197771115008 + (0.7452197771115058 - 0.7452197771115008) * 0.5*(1-tanh(1250*(x-0.04))))", "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(8.3144626d0*1000.0d0*(300 + (1600 - 300) * 0.5 * (1 - tanh(1250 * (x - 0.04))))* " + "((0.02851162527578208 + (1.882823170077901*10**(-5) - 0.02851162527578208) * 0.5*(1-tanh(1250*(x-0.04))))/2.016 + ( 3.3821733749391013*10**(-8) * 0.5*(1-tanh(1250*(x-0.04))))/1.008 + " From ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 13 Jul 2025 20:49:52 -0400 Subject: [PATCH 38/43] .. --- tests/2BDE2018/golden-metadata.txt | 6 +++--- tests/2BDE2018/golden.txt | 18 ++++++++--------- tests/4D7D85B4/golden-metadata.txt | 6 +++--- tests/4D7D85B4/golden.txt | 16 +++++++-------- tests/54BEE3ED/golden-metadata.txt | 6 +++--- tests/54BEE3ED/golden.txt | 32 +++++++++++++++--------------- tests/5DCF300C/golden-metadata.txt | 6 +++--- tests/5DCF300C/golden.txt | 6 +++--- tests/6B3AE48F/golden-metadata.txt | 6 +++--- tests/6B3AE48F/golden.txt | 14 ++++++------- tests/F8ADA51B/golden-metadata.txt | 6 +++--- tests/F8ADA51B/golden.txt | 18 ++++++++--------- 12 files changed, 70 insertions(+), 70 deletions(-) diff --git a/tests/2BDE2018/golden-metadata.txt b/tests/2BDE2018/golden-metadata.txt index c60faa6fe4..d14b21d08f 100644 --- a/tests/2BDE2018/golden-metadata.txt +++ b/tests/2BDE2018/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-10 22:22:57.216960. +This file was created on 2025-07-13 20:48:21.955534. mfc.sh: Invocation: test -o 1D Chemistry --generate - Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) + Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No + Git: d4453573dc6e2f9701b3181f219fb5ceb22674ec on Diffusion (dirty) CPU: diff --git a/tests/2BDE2018/golden.txt b/tests/2BDE2018/golden.txt index e0180b5c89..1c455b2ecd 100644 --- a/tests/2BDE2018/golden.txt +++ b/tests/2BDE2018/golden.txt @@ -1,5 +1,5 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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0.0 0.0 0.0 diff --git a/tests/4D7D85B4/golden-metadata.txt b/tests/4D7D85B4/golden-metadata.txt index 7823c05b68..9a0ae90eab 100644 --- a/tests/4D7D85B4/golden-metadata.txt +++ b/tests/4D7D85B4/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-10 22:22:54.126601. +This file was created on 2025-07-13 20:48:16.038227. mfc.sh: Invocation: test -o 1D Chemistry --generate - Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) + Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No + Git: d4453573dc6e2f9701b3181f219fb5ceb22674ec on Diffusion (dirty) CPU: diff --git a/tests/4D7D85B4/golden.txt b/tests/4D7D85B4/golden.txt index 0bc4f29dd7..59a9c8aaae 100644 --- a/tests/4D7D85B4/golden.txt +++ b/tests/4D7D85B4/golden.txt @@ -1,5 +1,5 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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0.01277242777496 0.01277242777496 diff --git a/tests/F8ADA51B/golden-metadata.txt b/tests/F8ADA51B/golden-metadata.txt index 800318f7c5..fe2874d84c 100644 --- a/tests/F8ADA51B/golden-metadata.txt +++ b/tests/F8ADA51B/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-10 22:23:03.197339. +This file was created on 2025-07-13 20:48:37.039484. mfc.sh: Invocation: test -o 1D Chemistry --generate - Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) + Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No + Git: d4453573dc6e2f9701b3181f219fb5ceb22674ec on Diffusion (dirty) CPU: diff --git a/tests/F8ADA51B/golden.txt b/tests/F8ADA51B/golden.txt index dc9feb7eda..43290e6fc4 100644 --- a/tests/F8ADA51B/golden.txt +++ b/tests/F8ADA51B/golden.txt @@ -1,5 +1,5 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 From a73b502a850517a394d30694c0876219a559c252 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 13 Jul 2025 22:20:05 -0400 Subject: [PATCH 39/43] Changing case.py for Premixed FLame --- Chemistry | 0 Premixed | 487 +++++++++++++++++++++++++++++ examples/1D_Premixed_Flame/case.py | 4 +- tests/140C353C/golden-metadata.txt | 6 +- tests/2BDE2018/golden-metadata.txt | 8 +- tests/2BDE2018/golden.txt | 18 +- tests/41AD0140/golden-metadata.txt | 50 +++ tests/41AD0140/golden.txt | 56 ++++ tests/4D7D85B4/golden-metadata.txt | 8 +- tests/4D7D85B4/golden.txt | 16 +- tests/54BEE3ED/golden-metadata.txt | 6 +- tests/5DCF300C/golden-metadata.txt | 8 +- tests/5DCF300C/golden.txt | 6 +- tests/6B3AE48F/golden-metadata.txt | 8 +- tests/6B3AE48F/golden.txt | 14 +- tests/F8ADA51B/golden-metadata.txt | 8 +- tests/F8ADA51B/golden.txt | 18 +- toolchain/mfc/test/cases.py | 6 +- 18 files changed, 660 insertions(+), 67 deletions(-) create mode 100644 Chemistry create mode 100644 Premixed create mode 100644 tests/41AD0140/golden-metadata.txt create mode 100644 tests/41AD0140/golden.txt diff --git a/Chemistry b/Chemistry new file mode 100644 index 0000000000..e69de29bb2 diff --git a/Premixed b/Premixed new file mode 100644 index 0000000000..8afc23f962 --- /dev/null +++ b/Premixed @@ -0,0 +1,487 @@ +mfc: OK > (venv) Entered the Python 3.12.3 virtual environment (>= 3.9). + + .=++*: -+*+=. | pain@UchihaMadara [Linux] + :+ -*- == =* . | ------------------------- + :*+ == ++ .+- | + :*##-.....:*+ .#%+++=--+=:::. | --jobs 1 + -=-++-======#=--**+++==+*++=::-:. | --mpi --no-gpu --debug --no-gcov --no-unified --no-single + .:++=----------====+*= ==..:%..... | + .:-=++++===--==+=-+= +. := | + +#=::::::::=%=. -+: =+ *: | ---------------------------------------------------------- + .*=-=*=.. :=+*+: -...-- | $ ./mfc.sh (build, run, test, clean, count, packer) --help + + + Test pre_process and simulation | Only 1D, -, -, and Flame (0 tests) + + tests/UUID (s) Summary + + + + +Test Summary: 0 passed, 0 failed, 461 skipped. + + Skipped Cases + + 2D -> IBM -> STL + 3D -> IBM -> STL + 1D -> bc=-1 + 1D -> bc=-2 + 1D -> bc=-4 + 1D -> bc=-5 + 1D -> bc=-6 + 1D -> bc=-7 + 1D -> bc=-8 + 1D -> bc=-9 + 1D -> bc=-10 + 1D -> bc=-11 + 1D -> bc=-12 + 1D -> bc=-3 + 1D -> bc=-15 + 1D -> bc=-16 + 1D -> bc=-17 + 1D -> grcbc x + 1D -> weno_order=3 + 1D -> weno_order=3 -> wenoz=T + 1D -> weno_order=3 -> mapped_weno=T + 1D -> weno_order=5 + 1D -> weno_order=5 -> mp_weno=T + 1D -> weno_order=5 -> teno=T + 1D -> weno_order=5 -> wenoz=T + 1D -> weno_order=5 -> mapped_weno=T + 1D -> weno_order=7 + 1D -> weno_order=7 -> teno=T + 1D -> weno_order=7 -> wenoz=T + 1D -> weno_order=7 -> mapped_weno=T + 1D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err + 1D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 1D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err + 1D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 1D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 1D -> 1 Fluid(s) -> Viscous + 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux + 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 1D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err + 1D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 1D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 1D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim + 1D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err + 1D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed + 1D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim + 1D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 1D -> 2 Fluid(s) -> Viscous + 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux + 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 1D -> 2 MPI Ranks + 1D -> Acoustic Source -> Sine -> Frequency + 1D -> Acoustic Source -> Sine -> Wavelength + 1D -> Acoustic Source -> Sine -> Delay + 1D -> Acoustic Source -> Sine -> Number of Pulses + 1D -> Acoustic Source -> Square -> Frequency + 1D -> Acoustic Source -> Square -> Wavelength + 1D -> Acoustic Source -> Square -> Delay + 1D -> Acoustic Source -> Square -> Number of Pulses + 1D -> Acoustic Source -> Gaussian -> Sigma Time + 1D -> Acoustic Source -> Gaussian -> Sigma Dist + 1D -> Acoustic Source -> Gaussian -> Dipole + 1D -> Bubbles -> Polytropic -> bubble_model=3 + 1D -> Bubbles -> Polytropic -> bubble_model=2 + 1D -> Bubbles -> bubble_model=2 + 1D -> Bubbles -> nb=1 + 1D -> Bubbles -> adv_n=T + 1D -> Bubbles -> adv_n=T -> adap_dt=T + 1D -> Bubbles -> artificial_Ma + 1D -> Bubbles -> low_Mach=1 + 1D -> Bubbles -> low_Mach=2 + 1D -> Bubbles -> QBMM + 1D -> Bubbles -> QBMM -> Non-polytropic + 1D -> Bubbles -> QBMM -> bubble_model=3 + 1D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic + 1D -> Hypoelasticity -> 1 Fluid(s) + 1D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage + 1D -> Hypoelasticity -> 2 Fluid(s) + 1D -> Phase Change model 5 -> 2 Fluid(s) + 1D -> Phase Change model 5 -> 3 Fluid(s) + 1D -> Phase Change model 6 -> 2 Fluid(s) + 1D -> Phase Change model 6 -> 3 Fluid(s) + 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 + 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 + 1D -> Viscosity -> Bubbles -> bubble_model=2 + 1D -> Viscosity -> Bubbles -> nb=1 + 1D -> Viscosity -> Bubbles -> QBMM + 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 + 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T + 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T + 1D -> Smoothing + 1D -> Bodyforces + 1D -> Bodyforces -> cfl_adap_dt=T + 2D -> bc=-1 + 2D -> bc=-2 + 2D -> bc=-4 + 2D -> bc=-5 + 2D -> bc=-6 + 2D -> bc=-7 + 2D -> bc=-8 + 2D -> bc=-9 + 2D -> bc=-10 + 2D -> bc=-11 + 2D -> bc=-12 + 2D -> bc=-3 + 2D -> bc=-15 + 2D -> bc=-16 + 2D -> bc=-17 + 2D -> grcbc x + 2D -> grcbc y + 2D -> weno_order=3 + 2D -> weno_order=3 -> wenoz=T + 2D -> weno_order=3 -> mapped_weno=T + 2D -> weno_order=5 + 2D -> weno_order=5 -> mp_weno=T + 2D -> weno_order=5 -> teno=T + 2D -> weno_order=5 -> wenoz=T + 2D -> weno_order=5 -> mapped_weno=T + 2D -> weno_order=7 + 2D -> weno_order=7 -> teno=T + 2D -> weno_order=7 -> wenoz=T + 2D -> weno_order=7 -> mapped_weno=T + 2D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err + 2D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 2D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err + 2D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 2D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 2D -> 1 Fluid(s) -> IBM -> Rectangle -> slip + 2D -> 1 Fluid(s) -> IBM -> Circle -> slip + 2D -> 1 Fluid(s) -> IBM -> Rectangle + 2D -> 1 Fluid(s) -> IBM -> Circle + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle -> slip + 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle + 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle + 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 + 2D -> 1 Fluid(s) -> Viscous + 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux + 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 2D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 + 2D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err + 2D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 2D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 2D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim + 2D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err + 2D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed + 2D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim + 2D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 2D -> 2 Fluid(s) -> IBM -> Rectangle -> slip + 2D -> 2 Fluid(s) -> IBM -> Circle -> slip + 2D -> 2 Fluid(s) -> IBM -> Rectangle + 2D -> 2 Fluid(s) -> IBM -> Circle + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle -> slip + 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle + 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle + 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 + 2D -> 2 Fluid(s) -> Viscous + 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux + 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 2D -> Axisymmetric -> model_eqns=2 + 2D -> Axisymmetric -> model_eqns=3 + 2D -> Axisymmetric -> HLL + 2D -> Axisymmetric -> Viscous + 2D -> Axisymmetric -> Viscous -> weno_Re_flux + 2D -> Axisymmetric -> Viscous -> weno_Re_flux -> weno_avg + 2D -> 2 MPI Ranks + 2D -> Acoustic Source -> Planar -> support=2 + 2D -> Acoustic Source -> Planar -> support=2 -> Dipole + 2D -> Acoustic Source -> Transducer -> support=5 -> Sine + 2D -> Acoustic Source -> Transducer -> support=5 -> Gaussian + 2D -> Acoustic Source -> Transducer -> support=5 -> Delay + 2D -> Acoustic Source -> Transducer -> support=6 -> Sine + 2D -> Acoustic Source -> Transducer -> support=6 -> Gaussian + 2D -> Acoustic Source -> Transducer -> support=6 -> Delay + 2D -> Acoustic Source -> Transducer Array -> support=9 -> All Elements + 2D -> Acoustic Source -> Transducer Array -> support=9 -> One element + 2D -> Acoustic Source -> Transducer Array -> support=10 + 2D -> Bubbles -> Polytropic -> bubble_model=3 + 2D -> Bubbles -> Polytropic -> bubble_model=2 + 2D -> Bubbles -> bubble_model=2 + 2D -> Bubbles -> nb=1 + 2D -> Bubbles -> adv_n=T + 2D -> Bubbles -> adv_n=T -> adap_dt=T + 2D -> Bubbles -> artificial_Ma + 2D -> Bubbles -> low_Mach=1 + 2D -> Bubbles -> low_Mach=2 + 2D -> Bubbles -> QBMM + 2D -> Bubbles -> QBMM -> Non-polytropic + 2D -> Bubbles -> QBMM -> bubble_model=3 + 2D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic + 2D -> Hypoelasticity -> 1 Fluid(s) + 2D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage + 2D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 + 2D -> Hypoelasticity -> 1 Fluid(s) -> Axisymmetric + 2D -> Hypoelasticity -> 2 Fluid(s) + 2D -> Phase Change model 5 -> 2 Fluid(s) + 2D -> Phase Change model 5 -> 3 Fluid(s) + 2D -> Phase Change model 6 -> 3 Fluid(s) + 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 + 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 + 2D -> Viscosity -> Bubbles -> bubble_model=2 + 2D -> Viscosity -> Bubbles -> nb=1 + 2D -> Viscosity -> Bubbles -> QBMM + 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 + 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T + 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T + 2D -> Smoothing + 2D -> Bodyforces + 2D -> Bodyforces -> cfl_adap_dt=T + 2D -> BC Patches -> Line Segment -> X + 2D -> BC Patches -> Line Segment -> Y + 3D -> bc=-1 + 3D -> bc=-2 + 3D -> bc=-4 + 3D -> bc=-5 + 3D -> bc=-6 + 3D -> bc=-7 + 3D -> bc=-8 + 3D -> bc=-9 + 3D -> bc=-10 + 3D -> bc=-11 + 3D -> bc=-12 + 3D -> bc=-3 + 3D -> bc=-15 + 3D -> bc=-16 + 3D -> bc=-17 + 3D -> grcbc x + 3D -> grcbc y + 3D -> grcbc z + 3D -> weno_order=3 + 3D -> weno_order=3 -> wenoz=T + 3D -> weno_order=3 -> mapped_weno=T + 3D -> weno_order=5 + 3D -> weno_order=5 -> mp_weno=T + 3D -> weno_order=5 -> teno=T + 3D -> weno_order=5 -> wenoz=T + 3D -> weno_order=5 -> mapped_weno=T + 3D -> weno_order=7 + 3D -> weno_order=7 -> teno=T + 3D -> weno_order=7 -> wenoz=T + 3D -> weno_order=7 -> mapped_weno=T + 3D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err + 3D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 3D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err + 3D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 3D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 3D -> 1 Fluid(s) -> IBM -> Sphere -> slip + 3D -> 1 Fluid(s) -> IBM -> Cuboid -> slip + 3D -> 1 Fluid(s) -> IBM -> Cylinder -> slip + 3D -> 1 Fluid(s) -> IBM -> Sphere + 3D -> 1 Fluid(s) -> IBM -> Cuboid + 3D -> 1 Fluid(s) -> IBM -> Cylinder + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere -> slip + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid + 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder + 3D -> 1 Fluid(s) -> Viscous + 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux + 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 3D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 + 3D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err + 3D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 + 3D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 + 3D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim + 3D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err + 3D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed + 3D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim + 3D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 + 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 + 3D -> 2 Fluid(s) -> IBM -> Sphere -> slip + 3D -> 2 Fluid(s) -> IBM -> Cuboid -> slip + 3D -> 2 Fluid(s) -> IBM -> Cylinder -> slip + 3D -> 2 Fluid(s) -> IBM -> Sphere + 3D -> 2 Fluid(s) -> IBM -> Cuboid + 3D -> 2 Fluid(s) -> IBM -> Cylinder + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere -> slip + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid + 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder + 3D -> 2 Fluid(s) -> Viscous + 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux + 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg + 3D -> Cylindrical -> model_eqns=2 + 3D -> Cylindrical -> cfl_adap_dt=T + 3D -> Cylindrical -> Viscous + 3D -> Cylindrical -> Viscous -> weno_Re_flux + 3D -> Cylindrical -> Viscous -> weno_Re_flux -> weno_avg + 3D -> Lagrange Bubbles -> One-way Coupling + 3D -> Lagrange Bubbles -> Two-way Coupling + 3D -> Lagrange Bubbles -> One-way Coupling -> adap_dt=T + 3D -> Lagrange Bubbles -> Two-way Coupling -> adap_dt=T + 3D -> 2 MPI Ranks + 3D -> Acoustic Source -> Planar -> support=3 + 3D -> Acoustic Source -> Planar -> support=3 -> Dipole + 3D -> Acoustic Source -> Transducer -> support=7 + 3D -> Acoustic Source -> Transducer Array -> support=11 -> All Elements + 3D -> Acoustic Source -> Transducer Array -> support=11 -> One element + 3D -> Bubbles -> Polytropic -> bubble_model=3 + 3D -> Bubbles -> Polytropic -> bubble_model=2 + 3D -> Bubbles -> bubble_model=2 + 3D -> Bubbles -> nb=1 + 3D -> Bubbles -> adv_n=T + 3D -> Bubbles -> adv_n=T -> adap_dt=T + 3D -> Bubbles -> artificial_Ma + 3D -> Bubbles -> low_Mach=1 + 3D -> Bubbles -> low_Mach=2 + 3D -> Bubbles -> QBMM + 3D -> Bubbles -> QBMM -> Non-polytropic + 3D -> Bubbles -> QBMM -> bubble_model=3 + 3D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic + 3D -> Hypoelasticity -> 1 Fluid(s) + 3D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage + 3D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 + 3D -> Hypoelasticity -> 2 Fluid(s) + 3D -> Phase Change model 5 -> 2 Fluid(s) + 3D -> Phase Change model 5 -> 3 Fluid(s) + 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 + 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 + 3D -> Viscosity -> Bubbles -> bubble_model=2 + 3D -> Viscosity -> Bubbles -> nb=1 + 3D -> Viscosity -> Bubbles -> QBMM + 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 + 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T + 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T + 3D -> Smoothing + 3D -> Bodyforces + 3D -> Bodyforces -> cfl_adap_dt=T + 3D -> mixlayer_perturb + 3D -> BC Patches -> Circle -> X + 3D -> BC Patches -> Circle -> Y + 3D -> BC Patches -> Circle -> Z + 1D -> MHD -> HLL + 1D -> MHD -> HLLD + 1D -> RMHD + 2D -> MHD -> HLL + 2D -> MHD -> HLLD + 2D -> MHD -> Powell + 2D -> RMHD + 3D -> MHD + 3D -> RMHD + 2D -> Example -> shock_cloud_rmhd + 2D -> Example -> phasechange_bubble + 2D -> Example -> ibm + 3D -> Example -> acoustic_support3 + 1D -> Example -> impact + 3D -> Example -> phasechange_bubble + 1D -> Example -> hypo_2materials + 2D -> Example -> lid_driven_cavity + 3D -> Example -> acoustic_support11 + 2D -> Example -> acoustic_support10_axisym + 1D -> Example -> acoustic_sine_wavelength + 2D -> Example -> axisym_shockbubble + 1D -> Example -> bubblescreen + 1D -> Example -> cont_damage + 1D -> Example -> exp_bubscreen + 2D -> Example -> zero_circ_vortex + 3D -> Example -> TaylorGreenVortex + 1D -> Example -> brio_wu_rmhd + 2D -> Example -> acoustic_pulse + 2D -> Example -> rayleigh_taylor + 1D -> Example -> qbmm + 1D -> Example -> shuosher_old + 2D -> Example -> 5wave_quasi1D + 2D -> Example -> orszag_tang_powell + 2D -> Example -> whale_bubble_annulus + 2D -> Example -> isentropicvortex + 2D -> Example -> orszag_tang + 1D -> Example -> kapilashocktube + 1D -> Example -> acoustic_gauss_sigmadist + 1D -> Example -> laxshocktube + 1D -> Example -> poly_bubscreen + 3D -> Example -> recovering_sphere + 1D -> Example -> acoustic_gauss_sigmatime + 2D -> Example -> GreshoVortex + 2D -> Example -> lungwave + 1D -> Example -> vacuum_restart + 1D -> Example -> shuosher_wenojs5 + 3D -> Example -> ibm_stl_test + 2D -> Example -> acoustic_support6_axisym + 1D -> Example -> acoustic_dipole + 2D -> Example -> ibm_stl_test + 2D -> Example -> ibm_stl_MFCCharacter + 2D -> Example -> shockbubble + 2D -> Example -> shocktube_phasechange + 1D -> Example -> exp_tube_phasechange + 1D -> Example -> acoustic_sine_frequency + 3D -> Example -> acoustic_support7 + 1D -> Example -> vacuum + 1D -> Example -> shuosher_wenoz5 + 2D -> Example -> acoustic_support9 + 2D -> Example -> acoustic_support5 + 1D -> Example -> shuosher_teno7 + 3D -> Example -> shockdroplet + 3D -> Example -> lagrange_shbubcollapse + 1D -> Example -> shuosher_wenom5 + 2D -> Example -> jet + 1D -> Example -> dai_woodward + 1D -> Example -> shuosher_teno5 + 2D -> Example -> shockdroplet + 2D -> Example -> acoustic_support2 + 2D -> Example -> lungwave_horizontal + 2D -> Example -> ibm_airfoil + 1D -> Example -> brio_wu_hlld + 2D -> Example -> axisym_hypoelasticity + 2D -> Example -> TaylorGreenVortex + 2D -> Example -> axisym_shockwatercavity + 3D -> Example -> rayleigh_taylor + 2D -> Example -> cont_damage + 1D -> Example -> brio_wu + 1D -> Example -> titarevtorro + nD -> Example -> perfect_reactor + 1D -> Example -> sodshocktube + 2D -> Example -> shearlayer + 0D -> Example -> bubblecollapse_adap + 3D -> Example -> brio_wu + 2D -> Example -> riemann_test + 1D -> Example -> dai_woodward_hlld + 1D -> Chemistry -> Perfect Reactor + 2D -> Chemistry -> Perfect Reactor + 3D -> Chemistry -> Perfect Reactor + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 1 + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 2 + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 1 + 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 2 + 1D -> Chemistry -> MultiComponent_Diffusion + 1D -> Chemistry -> Premixed Flame + +mfc: (venv) Exiting the Python virtual environment. diff --git a/examples/1D_Premixed_Flame/case.py b/examples/1D_Premixed_Flame/case.py index c23639451b..96d3e3b6f9 100644 --- a/examples/1D_Premixed_Flame/case.py +++ b/examples/1D_Premixed_Flame/case.py @@ -64,7 +64,7 @@ "patch_icpp(1)%geometry": 1, "patch_icpp(1)%x_centroid": L / 2, "patch_icpp(1)%length_x": L, - "patch_icpp(1)%vel(1)": "0", + "patch_icpp(1)%vel(1)": 0.0, "patch_icpp(1)%pres": 1.01325e5, "patch_icpp(1)%alpha(1)": 1, "patch_icpp(1)%Y(1)": "(0.02851162527578208 + (1.882823170077901*10**(-5) - 0.02851162527578208) * 0.5*(1-tanh(1250*(x-0.04))))", @@ -75,7 +75,7 @@ "patch_icpp(1)%Y(7)": "(0.0 + (3.087047007163217*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", "patch_icpp(1)%Y(8)": "(0.0 + (1.7396153620760586*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", "patch_icpp(1)%Y(6)": "(0.0 + (0.2545911810163394 - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(9)": "0.0", + "patch_icpp(1)%Y(9)": 0.0, "patch_icpp(1)%Y(10)": "(0.7452197771115008 + (0.7452197771115058 - 0.7452197771115008) * 0.5*(1-tanh(1250*(x-0.04))))", "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(8.3144626d0*1000.0d0*(300 + (1600 - 300) * 0.5 * (1 - tanh(1250 * (x - 0.04))))* " + "((0.02851162527578208 + (1.882823170077901*10**(-5) - 0.02851162527578208) * 0.5*(1-tanh(1250*(x-0.04))))/2.016 + ( 3.3821733749391013*10**(-8) * 0.5*(1-tanh(1250*(x-0.04))))/1.008 + " diff --git a/tests/140C353C/golden-metadata.txt b/tests/140C353C/golden-metadata.txt index aeb4525886..28c1af9be3 100644 --- a/tests/140C353C/golden-metadata.txt +++ b/tests/140C353C/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-10 22:23:10.956799. +This file was created on 2025-07-13 22:18:13.153130. mfc.sh: - Invocation: test -o 1D Chemistry --generate + Invocation: test -j10 -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 6ef589fa253fe3498ab61aeea25b12aa31226ae4 on Diffusion (dirty) + Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) CPU: diff --git a/tests/2BDE2018/golden-metadata.txt b/tests/2BDE2018/golden-metadata.txt index d14b21d08f..9a69b3f4f0 100644 --- a/tests/2BDE2018/golden-metadata.txt +++ b/tests/2BDE2018/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 20:48:21.955534. +This file was created on 2025-07-13 22:18:12.968153. mfc.sh: - Invocation: test -o 1D Chemistry --generate - Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No - Git: d4453573dc6e2f9701b3181f219fb5ceb22674ec on Diffusion (dirty) + Invocation: test -j10 -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) CPU: diff --git a/tests/2BDE2018/golden.txt b/tests/2BDE2018/golden.txt index 1c455b2ecd..e0180b5c89 100644 --- a/tests/2BDE2018/golden.txt +++ b/tests/2BDE2018/golden.txt @@ -1,5 +1,5 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities + Virtualization: VT-x + Hypervisor vendor: Microsoft + Virtualization type: full + L1d cache: 480 KiB (10 instances) + L1i cache: 320 KiB (10 instances) + L2 cache: 12.5 MiB (10 instances) + L3 cache: 24 MiB (1 instance) + Vulnerability Gather data sampling: Not affected + Vulnerability Itlb multihit: Not affected + Vulnerability L1tf: Not affected + Vulnerability Mds: Not affected + Vulnerability Meltdown: Not affected + Vulnerability Mmio stale data: Not affected + Vulnerability Reg file data sampling: Mitigation; Clear Register File + Vulnerability Retbleed: Mitigation; Enhanced IBRS + Vulnerability Spec rstack overflow: Not affected + Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp + Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization + Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S + Vulnerability Srbds: Not affected + Vulnerability Tsx async abort: Not affected + diff --git a/tests/41AD0140/golden.txt b/tests/41AD0140/golden.txt new file mode 100644 index 0000000000..13df67141b --- /dev/null +++ b/tests/41AD0140/golden.txt @@ -0,0 +1,56 @@ +D/cons.1.00.000000.dat 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 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9a0ae90eab..3f985037a9 100644 --- a/tests/4D7D85B4/golden-metadata.txt +++ b/tests/4D7D85B4/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 20:48:16.038227. +This file was created on 2025-07-13 22:18:13.127679. mfc.sh: - Invocation: test -o 1D Chemistry --generate - Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No - Git: d4453573dc6e2f9701b3181f219fb5ceb22674ec on Diffusion (dirty) + Invocation: test -j10 -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) CPU: diff --git a/tests/4D7D85B4/golden.txt b/tests/4D7D85B4/golden.txt index 59a9c8aaae..0bc4f29dd7 100644 --- a/tests/4D7D85B4/golden.txt +++ b/tests/4D7D85B4/golden.txt @@ -1,5 +1,5 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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20:48:10.224271. +This file was created on 2025-07-13 22:18:12.257932. mfc.sh: - Invocation: test -o 1D Chemistry --generate - Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No - Git: d4453573dc6e2f9701b3181f219fb5ceb22674ec on Diffusion (dirty) + Invocation: test -j10 -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) CPU: diff --git a/tests/5DCF300C/golden.txt b/tests/5DCF300C/golden.txt index 7f714933e5..08431f17c1 100644 --- a/tests/5DCF300C/golden.txt +++ b/tests/5DCF300C/golden.txt @@ -12,8 +12,8 @@ D/cons.14.00.000000.dat 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 D/cons.14.00.000050.dat 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 D/cons.2.00.000000.dat 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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unified=No & single=No - Git: d4453573dc6e2f9701b3181f219fb5ceb22674ec on Diffusion (dirty) + Invocation: test -j10 -o 1D Chemistry --generate + Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No + Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) CPU: diff --git a/tests/F8ADA51B/golden.txt b/tests/F8ADA51B/golden.txt index 43290e6fc4..dc9feb7eda 100644 --- a/tests/F8ADA51B/golden.txt +++ b/tests/F8ADA51B/golden.txt @@ -1,5 +1,5 @@ D/cons.1.00.000000.dat 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 0.07593515407978 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0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 0.01277242777496 diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index d5d9f97a41..250bc1e252 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -989,7 +989,7 @@ def chemistry_cases(): override_tol=10**(-11) )) - stack.push(f'1D -> Chemistry -> MultiComponent_Diffusion', {'m': 200, + stack.push(f'1D -> Chemistry -> MultiComponent Diffusion', {'m': 200, 'dt': 0.1e-06, 'num_patches': 1, 'num_fluids': 1, 'x_domain%beg': 0.0, 'x_domain%end': 0.05, 'bc_x%beg': -1, 'bc_x%end': -1, 'weno_order': 5,'weno_eps': 1e-16, 'weno_avg': 'F', 'mapped_weno': 'T', 'mp_weno': 'T','weno_Re_flux': 'F', 'riemann_solver': 2, 'wave_speeds': 1, @@ -1005,6 +1005,8 @@ def chemistry_cases(): }) cases.append(define_case_d(stack, '', {},override_tol=10**(-10))) + stack.pop() + cases.append(define_case_f( f'1D -> Chemistry -> Premixed Flame', 'examples/1D_Premixed_Flame/case.py', @@ -1014,8 +1016,6 @@ def chemistry_cases(): override_tol=10**(-10) )) - stack.pop() - foreach_dimension() mhd_cases() From c792713d7da258436dabc3f3d7ee588acefe73bf Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 13 Jul 2025 22:23:29 -0400 Subject: [PATCH 40/43] .. --- Chemistry | 0 Premixed | 487 ------------------------------------------------------ 2 files changed, 487 deletions(-) delete mode 100644 Chemistry delete mode 100644 Premixed diff --git a/Chemistry b/Chemistry deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/Premixed b/Premixed deleted file mode 100644 index 8afc23f962..0000000000 --- a/Premixed +++ /dev/null @@ -1,487 +0,0 @@ -mfc: OK > (venv) Entered the Python 3.12.3 virtual environment (>= 3.9). - - .=++*: -+*+=. | pain@UchihaMadara [Linux] - :+ -*- == =* . | ------------------------- - :*+ == ++ .+- | - :*##-.....:*+ .#%+++=--+=:::. | --jobs 1 - -=-++-======#=--**+++==+*++=::-:. | --mpi --no-gpu --debug --no-gcov --no-unified --no-single - .:++=----------====+*= ==..:%..... | - .:-=++++===--==+=-+= +. := | - +#=::::::::=%=. -+: =+ *: | ---------------------------------------------------------- - .*=-=*=.. :=+*+: -...-- | $ ./mfc.sh (build, run, test, clean, count, packer) --help - - - Test pre_process and simulation | Only 1D, -, -, and Flame (0 tests) - - tests/UUID (s) Summary - - - - -Test Summary: 0 passed, 0 failed, 461 skipped. - - Skipped Cases - - 2D -> IBM -> STL - 3D -> IBM -> STL - 1D -> bc=-1 - 1D -> bc=-2 - 1D -> bc=-4 - 1D -> bc=-5 - 1D -> bc=-6 - 1D -> bc=-7 - 1D -> bc=-8 - 1D -> bc=-9 - 1D -> bc=-10 - 1D -> bc=-11 - 1D -> bc=-12 - 1D -> bc=-3 - 1D -> bc=-15 - 1D -> bc=-16 - 1D -> bc=-17 - 1D -> grcbc x - 1D -> weno_order=3 - 1D -> weno_order=3 -> wenoz=T - 1D -> weno_order=3 -> mapped_weno=T - 1D -> weno_order=5 - 1D -> weno_order=5 -> mp_weno=T - 1D -> weno_order=5 -> teno=T - 1D -> weno_order=5 -> wenoz=T - 1D -> weno_order=5 -> mapped_weno=T - 1D -> weno_order=7 - 1D -> weno_order=7 -> teno=T - 1D -> weno_order=7 -> wenoz=T - 1D -> weno_order=7 -> mapped_weno=T - 1D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err - 1D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 1D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err - 1D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 1D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 1D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 1D -> 1 Fluid(s) -> Viscous - 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux - 1D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 1D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err - 1D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 1D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 1D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim - 1D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err - 1D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed - 1D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim - 1D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 1D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 1D -> 2 Fluid(s) -> Viscous - 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux - 1D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 1D -> 2 MPI Ranks - 1D -> Acoustic Source -> Sine -> Frequency - 1D -> Acoustic Source -> Sine -> Wavelength - 1D -> Acoustic Source -> Sine -> Delay - 1D -> Acoustic Source -> Sine -> Number of Pulses - 1D -> Acoustic Source -> Square -> Frequency - 1D -> Acoustic Source -> Square -> Wavelength - 1D -> Acoustic Source -> Square -> Delay - 1D -> Acoustic Source -> Square -> Number of Pulses - 1D -> Acoustic Source -> Gaussian -> Sigma Time - 1D -> Acoustic Source -> Gaussian -> Sigma Dist - 1D -> Acoustic Source -> Gaussian -> Dipole - 1D -> Bubbles -> Polytropic -> bubble_model=3 - 1D -> Bubbles -> Polytropic -> bubble_model=2 - 1D -> Bubbles -> bubble_model=2 - 1D -> Bubbles -> nb=1 - 1D -> Bubbles -> adv_n=T - 1D -> Bubbles -> adv_n=T -> adap_dt=T - 1D -> Bubbles -> artificial_Ma - 1D -> Bubbles -> low_Mach=1 - 1D -> Bubbles -> low_Mach=2 - 1D -> Bubbles -> QBMM - 1D -> Bubbles -> QBMM -> Non-polytropic - 1D -> Bubbles -> QBMM -> bubble_model=3 - 1D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic - 1D -> Hypoelasticity -> 1 Fluid(s) - 1D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage - 1D -> Hypoelasticity -> 2 Fluid(s) - 1D -> Phase Change model 5 -> 2 Fluid(s) - 1D -> Phase Change model 5 -> 3 Fluid(s) - 1D -> Phase Change model 6 -> 2 Fluid(s) - 1D -> Phase Change model 6 -> 3 Fluid(s) - 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 - 1D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 - 1D -> Viscosity -> Bubbles -> bubble_model=2 - 1D -> Viscosity -> Bubbles -> nb=1 - 1D -> Viscosity -> Bubbles -> QBMM - 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 - 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T - 1D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T - 1D -> Smoothing - 1D -> Bodyforces - 1D -> Bodyforces -> cfl_adap_dt=T - 2D -> bc=-1 - 2D -> bc=-2 - 2D -> bc=-4 - 2D -> bc=-5 - 2D -> bc=-6 - 2D -> bc=-7 - 2D -> bc=-8 - 2D -> bc=-9 - 2D -> bc=-10 - 2D -> bc=-11 - 2D -> bc=-12 - 2D -> bc=-3 - 2D -> bc=-15 - 2D -> bc=-16 - 2D -> bc=-17 - 2D -> grcbc x - 2D -> grcbc y - 2D -> weno_order=3 - 2D -> weno_order=3 -> wenoz=T - 2D -> weno_order=3 -> mapped_weno=T - 2D -> weno_order=5 - 2D -> weno_order=5 -> mp_weno=T - 2D -> weno_order=5 -> teno=T - 2D -> weno_order=5 -> wenoz=T - 2D -> weno_order=5 -> mapped_weno=T - 2D -> weno_order=7 - 2D -> weno_order=7 -> teno=T - 2D -> weno_order=7 -> wenoz=T - 2D -> weno_order=7 -> mapped_weno=T - 2D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err - 2D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 2D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err - 2D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 2D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 2D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 2D -> 1 Fluid(s) -> IBM -> Rectangle -> slip - 2D -> 1 Fluid(s) -> IBM -> Circle -> slip - 2D -> 1 Fluid(s) -> IBM -> Rectangle - 2D -> 1 Fluid(s) -> IBM -> Circle - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle -> slip - 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Rectangle - 2D -> 1 Fluid(s) -> Viscous -> IBM -> Circle - 2D -> 1 Fluid(s) -> Viscous -> IBM -> model_eqns=3 - 2D -> 1 Fluid(s) -> Viscous - 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux - 2D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 2D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 - 2D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err - 2D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 2D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 2D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim - 2D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err - 2D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed - 2D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim - 2D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 2D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 2D -> 2 Fluid(s) -> IBM -> Rectangle -> slip - 2D -> 2 Fluid(s) -> IBM -> Circle -> slip - 2D -> 2 Fluid(s) -> IBM -> Rectangle - 2D -> 2 Fluid(s) -> IBM -> Circle - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle -> slip - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle -> slip - 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 -> slip - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Rectangle - 2D -> 2 Fluid(s) -> Viscous -> IBM -> Circle - 2D -> 2 Fluid(s) -> Viscous -> IBM -> model_eqns=3 - 2D -> 2 Fluid(s) -> Viscous - 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux - 2D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 2D -> Axisymmetric -> model_eqns=2 - 2D -> Axisymmetric -> model_eqns=3 - 2D -> Axisymmetric -> HLL - 2D -> Axisymmetric -> Viscous - 2D -> Axisymmetric -> Viscous -> weno_Re_flux - 2D -> Axisymmetric -> Viscous -> weno_Re_flux -> weno_avg - 2D -> 2 MPI Ranks - 2D -> Acoustic Source -> Planar -> support=2 - 2D -> Acoustic Source -> Planar -> support=2 -> Dipole - 2D -> Acoustic Source -> Transducer -> support=5 -> Sine - 2D -> Acoustic Source -> Transducer -> support=5 -> Gaussian - 2D -> Acoustic Source -> Transducer -> support=5 -> Delay - 2D -> Acoustic Source -> Transducer -> support=6 -> Sine - 2D -> Acoustic Source -> Transducer -> support=6 -> Gaussian - 2D -> Acoustic Source -> Transducer -> support=6 -> Delay - 2D -> Acoustic Source -> Transducer Array -> support=9 -> All Elements - 2D -> Acoustic Source -> Transducer Array -> support=9 -> One element - 2D -> Acoustic Source -> Transducer Array -> support=10 - 2D -> Bubbles -> Polytropic -> bubble_model=3 - 2D -> Bubbles -> Polytropic -> bubble_model=2 - 2D -> Bubbles -> bubble_model=2 - 2D -> Bubbles -> nb=1 - 2D -> Bubbles -> adv_n=T - 2D -> Bubbles -> adv_n=T -> adap_dt=T - 2D -> Bubbles -> artificial_Ma - 2D -> Bubbles -> low_Mach=1 - 2D -> Bubbles -> low_Mach=2 - 2D -> Bubbles -> QBMM - 2D -> Bubbles -> QBMM -> Non-polytropic - 2D -> Bubbles -> QBMM -> bubble_model=3 - 2D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic - 2D -> Hypoelasticity -> 1 Fluid(s) - 2D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage - 2D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 - 2D -> Hypoelasticity -> 1 Fluid(s) -> Axisymmetric - 2D -> Hypoelasticity -> 2 Fluid(s) - 2D -> Phase Change model 5 -> 2 Fluid(s) - 2D -> Phase Change model 5 -> 3 Fluid(s) - 2D -> Phase Change model 6 -> 3 Fluid(s) - 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 - 2D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 - 2D -> Viscosity -> Bubbles -> bubble_model=2 - 2D -> Viscosity -> Bubbles -> nb=1 - 2D -> Viscosity -> Bubbles -> QBMM - 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 - 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T - 2D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T - 2D -> Smoothing - 2D -> Bodyforces - 2D -> Bodyforces -> cfl_adap_dt=T - 2D -> BC Patches -> Line Segment -> X - 2D -> BC Patches -> Line Segment -> Y - 3D -> bc=-1 - 3D -> bc=-2 - 3D -> bc=-4 - 3D -> bc=-5 - 3D -> bc=-6 - 3D -> bc=-7 - 3D -> bc=-8 - 3D -> bc=-9 - 3D -> bc=-10 - 3D -> bc=-11 - 3D -> bc=-12 - 3D -> bc=-3 - 3D -> bc=-15 - 3D -> bc=-16 - 3D -> bc=-17 - 3D -> grcbc x - 3D -> grcbc y - 3D -> grcbc z - 3D -> weno_order=3 - 3D -> weno_order=3 -> wenoz=T - 3D -> weno_order=3 -> mapped_weno=T - 3D -> weno_order=5 - 3D -> weno_order=5 -> mp_weno=T - 3D -> weno_order=5 -> teno=T - 3D -> weno_order=5 -> wenoz=T - 3D -> weno_order=5 -> mapped_weno=T - 3D -> weno_order=7 - 3D -> weno_order=7 -> teno=T - 3D -> weno_order=7 -> wenoz=T - 3D -> weno_order=7 -> mapped_weno=T - 3D -> 1 Fluid(s) -> riemann_solver=1 -> mixture_err - 3D -> 1 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 3D -> 1 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> mixture_err - 3D -> 1 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 3D -> 1 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 3D -> 1 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 3D -> 1 Fluid(s) -> IBM -> Sphere -> slip - 3D -> 1 Fluid(s) -> IBM -> Cuboid -> slip - 3D -> 1 Fluid(s) -> IBM -> Cylinder -> slip - 3D -> 1 Fluid(s) -> IBM -> Sphere - 3D -> 1 Fluid(s) -> IBM -> Cuboid - 3D -> 1 Fluid(s) -> IBM -> Cylinder - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere -> slip - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Sphere - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cuboid - 3D -> 1 Fluid(s) -> Viscous -> IBM -> Cylinder - 3D -> 1 Fluid(s) -> Viscous - 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux - 3D -> 1 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 3D -> 2 Fluid(s) -> capillary=T -> model_eqns=3 - 3D -> 2 Fluid(s) -> riemann_solver=1 -> mixture_err - 3D -> 2 Fluid(s) -> riemann_solver=1 -> avg_state=1 - 3D -> 2 Fluid(s) -> riemann_solver=1 -> wave_speeds=2 - 3D -> 2 Fluid(s) -> riemann_solver=1 -> mpp_lim - 3D -> 2 Fluid(s) -> riemann_solver=2 -> mixture_err - 3D -> 2 Fluid(s) -> riemann_solver=2 -> avg_state=1 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> wave_speeds=2 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> model_eqns=3 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> alt_soundspeed - 3D -> 2 Fluid(s) -> riemann_solver=2 -> mpp_lim - 3D -> 2 Fluid(s) -> riemann_solver=1 -> low_Mach=1 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=1 - 3D -> 2 Fluid(s) -> riemann_solver=2 -> low_Mach=2 - 3D -> 2 Fluid(s) -> IBM -> Sphere -> slip - 3D -> 2 Fluid(s) -> IBM -> Cuboid -> slip - 3D -> 2 Fluid(s) -> IBM -> Cylinder -> slip - 3D -> 2 Fluid(s) -> IBM -> Sphere - 3D -> 2 Fluid(s) -> IBM -> Cuboid - 3D -> 2 Fluid(s) -> IBM -> Cylinder - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere -> slip - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid -> slip - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder -> slip - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Sphere - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cuboid - 3D -> 2 Fluid(s) -> Viscous -> IBM -> Cylinder - 3D -> 2 Fluid(s) -> Viscous - 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux - 3D -> 2 Fluid(s) -> Viscous -> weno_Re_flux -> weno_avg - 3D -> Cylindrical -> model_eqns=2 - 3D -> Cylindrical -> cfl_adap_dt=T - 3D -> Cylindrical -> Viscous - 3D -> Cylindrical -> Viscous -> weno_Re_flux - 3D -> Cylindrical -> Viscous -> weno_Re_flux -> weno_avg - 3D -> Lagrange Bubbles -> One-way Coupling - 3D -> Lagrange Bubbles -> Two-way Coupling - 3D -> Lagrange Bubbles -> One-way Coupling -> adap_dt=T - 3D -> Lagrange Bubbles -> Two-way Coupling -> adap_dt=T - 3D -> 2 MPI Ranks - 3D -> Acoustic Source -> Planar -> support=3 - 3D -> Acoustic Source -> Planar -> support=3 -> Dipole - 3D -> Acoustic Source -> Transducer -> support=7 - 3D -> Acoustic Source -> Transducer Array -> support=11 -> All Elements - 3D -> Acoustic Source -> Transducer Array -> support=11 -> One element - 3D -> Bubbles -> Polytropic -> bubble_model=3 - 3D -> Bubbles -> Polytropic -> bubble_model=2 - 3D -> Bubbles -> bubble_model=2 - 3D -> Bubbles -> nb=1 - 3D -> Bubbles -> adv_n=T - 3D -> Bubbles -> adv_n=T -> adap_dt=T - 3D -> Bubbles -> artificial_Ma - 3D -> Bubbles -> low_Mach=1 - 3D -> Bubbles -> low_Mach=2 - 3D -> Bubbles -> QBMM - 3D -> Bubbles -> QBMM -> Non-polytropic - 3D -> Bubbles -> QBMM -> bubble_model=3 - 3D -> Bubbles -> QBMM -> bubble_model=3 -> Non-polytropic - 3D -> Hypoelasticity -> 1 Fluid(s) - 3D -> Hypoelasticity -> 1 Fluid(s) -> cont_damage - 3D -> Hypoelasticity -> 1 Fluid(s) -> bc=-2 - 3D -> Hypoelasticity -> 2 Fluid(s) - 3D -> Phase Change model 5 -> 2 Fluid(s) - 3D -> Phase Change model 5 -> 3 Fluid(s) - 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=3 - 3D -> Viscosity -> Bubbles -> Polytropic -> bubble_model=2 - 3D -> Viscosity -> Bubbles -> bubble_model=2 - 3D -> Viscosity -> Bubbles -> nb=1 - 3D -> Viscosity -> Bubbles -> QBMM - 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 - 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_adap_dt=T - 3D -> Viscosity -> Bubbles -> QBMM -> bubble_model=3 -> cfl_const_dt=T - 3D -> Smoothing - 3D -> Bodyforces - 3D -> Bodyforces -> cfl_adap_dt=T - 3D -> mixlayer_perturb - 3D -> BC Patches -> Circle -> X - 3D -> BC Patches -> Circle -> Y - 3D -> BC Patches -> Circle -> Z - 1D -> MHD -> HLL - 1D -> MHD -> HLLD - 1D -> RMHD - 2D -> MHD -> HLL - 2D -> MHD -> HLLD - 2D -> MHD -> Powell - 2D -> RMHD - 3D -> MHD - 3D -> RMHD - 2D -> Example -> shock_cloud_rmhd - 2D -> Example -> phasechange_bubble - 2D -> Example -> ibm - 3D -> Example -> acoustic_support3 - 1D -> Example -> impact - 3D -> Example -> phasechange_bubble - 1D -> Example -> hypo_2materials - 2D -> Example -> lid_driven_cavity - 3D -> Example -> acoustic_support11 - 2D -> Example -> acoustic_support10_axisym - 1D -> Example -> acoustic_sine_wavelength - 2D -> Example -> axisym_shockbubble - 1D -> Example -> bubblescreen - 1D -> Example -> cont_damage - 1D -> Example -> exp_bubscreen - 2D -> Example -> zero_circ_vortex - 3D -> Example -> TaylorGreenVortex - 1D -> Example -> brio_wu_rmhd - 2D -> Example -> acoustic_pulse - 2D -> Example -> rayleigh_taylor - 1D -> Example -> qbmm - 1D -> Example -> shuosher_old - 2D -> Example -> 5wave_quasi1D - 2D -> Example -> orszag_tang_powell - 2D -> Example -> whale_bubble_annulus - 2D -> Example -> isentropicvortex - 2D -> Example -> orszag_tang - 1D -> Example -> kapilashocktube - 1D -> Example -> acoustic_gauss_sigmadist - 1D -> Example -> laxshocktube - 1D -> Example -> poly_bubscreen - 3D -> Example -> recovering_sphere - 1D -> Example -> acoustic_gauss_sigmatime - 2D -> Example -> GreshoVortex - 2D -> Example -> lungwave - 1D -> Example -> vacuum_restart - 1D -> Example -> shuosher_wenojs5 - 3D -> Example -> ibm_stl_test - 2D -> Example -> acoustic_support6_axisym - 1D -> Example -> acoustic_dipole - 2D -> Example -> ibm_stl_test - 2D -> Example -> ibm_stl_MFCCharacter - 2D -> Example -> shockbubble - 2D -> Example -> shocktube_phasechange - 1D -> Example -> exp_tube_phasechange - 1D -> Example -> acoustic_sine_frequency - 3D -> Example -> acoustic_support7 - 1D -> Example -> vacuum - 1D -> Example -> shuosher_wenoz5 - 2D -> Example -> acoustic_support9 - 2D -> Example -> acoustic_support5 - 1D -> Example -> shuosher_teno7 - 3D -> Example -> shockdroplet - 3D -> Example -> lagrange_shbubcollapse - 1D -> Example -> shuosher_wenom5 - 2D -> Example -> jet - 1D -> Example -> dai_woodward - 1D -> Example -> shuosher_teno5 - 2D -> Example -> shockdroplet - 2D -> Example -> acoustic_support2 - 2D -> Example -> lungwave_horizontal - 2D -> Example -> ibm_airfoil - 1D -> Example -> brio_wu_hlld - 2D -> Example -> axisym_hypoelasticity - 2D -> Example -> TaylorGreenVortex - 2D -> Example -> axisym_shockwatercavity - 3D -> Example -> rayleigh_taylor - 2D -> Example -> cont_damage - 1D -> Example -> brio_wu - 1D -> Example -> titarevtorro - nD -> Example -> perfect_reactor - 1D -> Example -> sodshocktube - 2D -> Example -> shearlayer - 0D -> Example -> bubblecollapse_adap - 3D -> Example -> brio_wu - 2D -> Example -> riemann_test - 1D -> Example -> dai_woodward_hlld - 1D -> Chemistry -> Perfect Reactor - 2D -> Chemistry -> Perfect Reactor - 3D -> Chemistry -> Perfect Reactor - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 1 - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 1 -> Gamma Method 2 - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 1 - 1D -> Chemistry -> Inert Shocktube -> Riemann Solver 2 -> Gamma Method 2 - 1D -> Chemistry -> MultiComponent_Diffusion - 1D -> Chemistry -> Premixed Flame - -mfc: (venv) Exiting the Python virtual environment. From 222c7ccc65c1ebb35b38e66c35532a47cf9b9166 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Sun, 13 Jul 2025 22:31:43 -0400 Subject: [PATCH 41/43] Remove duplicate test cases --- tests/140C353C/golden-metadata.txt | 6 +- tests/2BDE2018/golden-metadata.txt | 6 +- tests/41AD0140/golden-metadata.txt | 6 +- tests/4D7D85B4/golden-metadata.txt | 6 +- tests/54BEE3ED/golden-metadata.txt | 50 ---------- tests/54BEE3ED/golden.txt | 56 ----------- tests/5DCF300C/golden-metadata.txt | 6 +- tests/6B3AE48F/golden-metadata.txt | 6 +- tests/A745163D/golden-metadata.txt | 50 ---------- tests/A745163D/golden.txt | 32 ------- tests/D54F258B/golden-metadata.txt | 149 ----------------------------- tests/D54F258B/golden.txt | 56 ----------- tests/F8ADA51B/golden-metadata.txt | 6 +- 13 files changed, 21 insertions(+), 414 deletions(-) delete mode 100644 tests/54BEE3ED/golden-metadata.txt delete mode 100644 tests/54BEE3ED/golden.txt delete mode 100644 tests/A745163D/golden-metadata.txt delete mode 100644 tests/A745163D/golden.txt delete mode 100644 tests/D54F258B/golden-metadata.txt delete mode 100644 tests/D54F258B/golden.txt diff --git a/tests/140C353C/golden-metadata.txt b/tests/140C353C/golden-metadata.txt index 28c1af9be3..194f645cf3 100644 --- a/tests/140C353C/golden-metadata.txt +++ b/tests/140C353C/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:18:13.153130. +This file was created on 2025-07-13 22:30:45.002768. mfc.sh: - Invocation: test -j10 -o 1D Chemistry --generate + Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) + Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) CPU: diff --git a/tests/2BDE2018/golden-metadata.txt b/tests/2BDE2018/golden-metadata.txt index 9a69b3f4f0..b840a41c06 100644 --- a/tests/2BDE2018/golden-metadata.txt +++ b/tests/2BDE2018/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:18:12.968153. +This file was created on 2025-07-13 22:30:26.575583. mfc.sh: - Invocation: test -j10 -o 1D Chemistry --generate + Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) + Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) CPU: diff --git a/tests/41AD0140/golden-metadata.txt b/tests/41AD0140/golden-metadata.txt index 12b5145d67..77b816a5dd 100644 --- a/tests/41AD0140/golden-metadata.txt +++ b/tests/41AD0140/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:18:12.767402. +This file was created on 2025-07-13 22:30:40.635112. mfc.sh: - Invocation: test -j10 -o 1D Chemistry --generate + Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) + Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) CPU: diff --git a/tests/4D7D85B4/golden-metadata.txt b/tests/4D7D85B4/golden-metadata.txt index 3f985037a9..5f2b2babee 100644 --- a/tests/4D7D85B4/golden-metadata.txt +++ b/tests/4D7D85B4/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:18:13.127679. +This file was created on 2025-07-13 22:30:22.514177. mfc.sh: - Invocation: test -j10 -o 1D Chemistry --generate + Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) + Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) CPU: diff --git a/tests/54BEE3ED/golden-metadata.txt b/tests/54BEE3ED/golden-metadata.txt deleted file mode 100644 index 698e8b3d8f..0000000000 --- a/tests/54BEE3ED/golden-metadata.txt +++ /dev/null @@ -1,50 +0,0 @@ -This file was created on 2025-07-13 21:52:49.050316. - -mfc.sh: - - Invocation: test -o MultiComponent_Diffusion --generate - Lock: mpi=Yes & gpu=No & debug=Yes & gcov=No & unified=No & single=No - Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) - -CPU: - - CPU Info: - From lscpu - Architecture: x86_64 - CPU op-mode(s): 32-bit, 64-bit - Address sizes: 39 bits physical, 48 bits virtual - Byte Order: Little Endian - CPU(s): 20 - On-line CPU(s) list: 0-19 - Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i7-12700H - CPU family: 6 - Model: 154 - Thread(s) per core: 2 - Core(s) per socket: 10 - Socket(s): 1 - Stepping: 3 - BogoMIPS: 5375.99 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities - Virtualization: VT-x - Hypervisor vendor: Microsoft - Virtualization type: full - L1d cache: 480 KiB (10 instances) - L1i cache: 320 KiB (10 instances) - L2 cache: 12.5 MiB (10 instances) - L3 cache: 24 MiB (1 instance) - Vulnerability Gather data sampling: Not affected - Vulnerability Itlb multihit: Not affected - Vulnerability L1tf: Not affected - Vulnerability Mds: Not affected - Vulnerability Meltdown: Not affected - Vulnerability Mmio stale data: Not affected - Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Mitigation; Enhanced IBRS - Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp - Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization - Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S - Vulnerability Srbds: Not affected - Vulnerability Tsx async abort: Not affected - diff --git a/tests/54BEE3ED/golden.txt b/tests/54BEE3ED/golden.txt deleted file mode 100644 index 8474b361fa..0000000000 --- a/tests/54BEE3ED/golden.txt +++ /dev/null @@ -1,56 +0,0 @@ -D/cons.1.00.000000.dat 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 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22:18:13.068414. +This file was created on 2025-07-13 22:30:31.187441. mfc.sh: - Invocation: test -j10 -o 1D Chemistry --generate + Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) + Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) CPU: diff --git a/tests/A745163D/golden-metadata.txt b/tests/A745163D/golden-metadata.txt deleted file mode 100644 index 20d7cbb59e..0000000000 --- a/tests/A745163D/golden-metadata.txt +++ /dev/null @@ -1,50 +0,0 @@ -This file was created on 2025-06-21 21:24:14.754636. - -mfc.sh: - - Invocation: test -o MultiComponent_Diffusion --generate - Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: 2ccbc6dccae0b2424bb2d0e06ab46b5b99a3c93f on Diffusion (clean) - -CPU: - - CPU Info: - From lscpu - Architecture: x86_64 - CPU op-mode(s): 32-bit, 64-bit - Address sizes: 39 bits physical, 48 bits virtual - Byte Order: Little Endian - CPU(s): 20 - On-line CPU(s) list: 0-19 - Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i7-12700H - CPU family: 6 - Model: 154 - Thread(s) per core: 2 - Core(s) per socket: 10 - Socket(s): 1 - Stepping: 3 - BogoMIPS: 5375.99 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities - Virtualization: VT-x - Hypervisor vendor: Microsoft - Virtualization type: full - L1d cache: 480 KiB (10 instances) - L1i cache: 320 KiB (10 instances) - L2 cache: 12.5 MiB (10 instances) - L3 cache: 24 MiB (1 instance) - Vulnerability Gather data sampling: Not affected - Vulnerability Itlb multihit: Not affected - Vulnerability L1tf: Not affected - Vulnerability Mds: Not affected - Vulnerability Meltdown: Not affected - Vulnerability Mmio stale data: Not affected - Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Mitigation; Enhanced IBRS - Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp - Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization - Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S - Vulnerability Srbds: Not affected - Vulnerability Tsx async abort: Not affected - diff --git a/tests/A745163D/golden.txt b/tests/A745163D/golden.txt deleted file mode 100644 index d252ca5093..0000000000 --- a/tests/A745163D/golden.txt +++ /dev/null @@ -1,32 +0,0 @@ -D/cons.1.00.000000.dat 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.9396116591574 0.93961165915734 0.93961165915684 0.93961165915288 0.93961165912395 0.93961165892891 0.93961165771445 0.93961165073221 0.93961161367455 0.93961143214133 0.93961061153159 0.93960718928045 0.93959402635489 0.93954735008907 0.93939483193361 0.93893596409738 0.93766655551522 0.93444579117139 0.92698636241092 0.91134610795856 0.88204089045751 0.83380381989336 0.76525197095658 0.68201678006764 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Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -syscheck: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /home/pain/MFC-Adam/build/venv/bin/fypp - Doxygen : - - Build Type : Debug - - Configuration Environment: - - CC : /usr/bin/gcc-14 - CXX : /usr/bin/g++-14 - FC : /usr/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : - OMPI_FC : - -pre_process: - - CMake Configuration: - - CMake v3.28.3 on UchihaMadara - - C : GNU v14.2.0 (/usr/bin/gcc-14) - Fortran : GNU v14.2.0 (/usr/bin/gfortran-14) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : 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ffbbcdf6e8f0416d792ffdd893758b3cf5e271f8 on Diffusion (dirty) + Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) CPU: From 742a84ba77870606d320949d0c95d485ce6b7955 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Mon, 14 Jul 2025 12:12:47 -0400 Subject: [PATCH 42/43] Small Changes --- examples/1D_Premixed_Flame/case.py | 93 ------------------------------ tests/140C353C/golden-metadata.txt | 50 ---------------- tests/140C353C/golden.txt | 56 ------------------ tests/2BDE2018/golden-metadata.txt | 4 +- tests/41AD0140/golden-metadata.txt | 4 +- tests/4D7D85B4/golden-metadata.txt | 4 +- tests/5DCF300C/golden-metadata.txt | 4 +- tests/6B3AE48F/golden-metadata.txt | 4 +- tests/F8ADA51B/golden-metadata.txt | 4 +- toolchain/mfc/test/cases.py | 11 +--- 10 files changed, 13 insertions(+), 221 deletions(-) delete mode 100644 examples/1D_Premixed_Flame/case.py delete mode 100644 tests/140C353C/golden-metadata.txt delete mode 100644 tests/140C353C/golden.txt diff --git a/examples/1D_Premixed_Flame/case.py b/examples/1D_Premixed_Flame/case.py deleted file mode 100644 index 96d3e3b6f9..0000000000 --- a/examples/1D_Premixed_Flame/case.py +++ /dev/null @@ -1,93 +0,0 @@ -#!/usr/bin/env python3 -import json -import argparse -import math - -import cantera as ct - -parser = argparse.ArgumentParser(prog="1D_Premixed_Flame", formatter_class=argparse.ArgumentDefaultsHelpFormatter) - -parser.add_argument("--mfc", type=json.loads, default="{}", metavar="DICT", help="MFC's toolchain's internal state.") -parser.add_argument("--no-chem", dest="chemistry", default=True, action="store_false", help="Disable chemistry.") - -args = parser.parse_args() - -ctfile = "h2o2.yaml" -sol_L = ct.Solution(ctfile) -sol_L.TPX = 300, 8000, "O2:2,N2:2,H2O:5" - -L = 0.08 -Nx = 2000 -dx = L / Nx -dt = 0.25e-7 -Tend = 0.60e-2 - -NT = int(Tend / dt) -SAVE_COUNT = 2000 -NS = 2000 -case = { - "run_time_info": "T", - "x_domain%beg": 0, - "x_domain%end": +L, - "m": Nx, - "n": 0, - "p": 0, - "dt": float(dt), - "t_step_start": 0, - "t_step_stop": NT, - "t_step_save": NS, - "t_step_print": NS, - "parallel_io": "F", - "model_eqns": 2, - "num_fluids": 1, - "num_patches": 1, - "mpp_lim": "F", - "mixture_err": "F", - "time_stepper": 3, - "weno_order": 5, - "weno_eps": 1e-16, - "weno_avg": "F", - "mapped_weno": "T", - "mp_weno": "T", - "riemann_solver": 2, - "wave_speeds": 2, - "avg_state": 1, - "bc_x%beg": -8, - "bc_x%end": -8, - "viscous": "T", - "chemistry": "T" if not args.chemistry else "T", - "chem_params%diffusion": "T", - "chem_params%reactions": "T", - "format": 1, - "precision": 2, - "prim_vars_wrt": "T", - "patch_icpp(1)%geometry": 1, - "patch_icpp(1)%x_centroid": L / 2, - "patch_icpp(1)%length_x": L, - "patch_icpp(1)%vel(1)": 0.0, - "patch_icpp(1)%pres": 1.01325e5, - "patch_icpp(1)%alpha(1)": 1, - "patch_icpp(1)%Y(1)": "(0.02851162527578208 + (1.882823170077901*10**(-5) - 0.02851162527578208) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(2)": "(0.0 + (3.3821733749391013*10**(-8) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(4)": "(0.22626859761271706 + (0.00013139577035943594 - 0.22626859761271706) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(3)": "(0.0 + (9.488275739032257*10**(-8) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(5)": "(0.0 + (3.868433894115635*10**(-5)- 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(7)": "(0.0 + (3.087047007163217*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(8)": "(0.0 + (1.7396153620760586*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(6)": "(0.0 + (0.2545911810163394 - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%Y(9)": 0.0, - "patch_icpp(1)%Y(10)": "(0.7452197771115008 + (0.7452197771115058 - 0.7452197771115008) * 0.5*(1-tanh(1250*(x-0.04))))", - "patch_icpp(1)%alpha_rho(1)": "1.01325d0*10.0d0**(5.0d0)/(8.3144626d0*1000.0d0*(300 + (1600 - 300) * 0.5 * (1 - tanh(1250 * (x - 0.04))))* " - + "((0.02851162527578208 + (1.882823170077901*10**(-5) - 0.02851162527578208) * 0.5*(1-tanh(1250*(x-0.04))))/2.016 + ( 3.3821733749391013*10**(-8) * 0.5*(1-tanh(1250*(x-0.04))))/1.008 + " - + "(0.22626859761271706 + (0.00013139577035943594 - 0.22626859761271706) * 0.5*(1-tanh(1250*(x-0.04))))/31.998 + (9.488275739032257*10**(-8) * 0.5*(1-tanh(1250*(x-0.04))))/16.00 + " - + "(0.0 + (3.868433894115635*10**(-5)- 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/17.007 + (0.0 + (3.087047007163217*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/33.006 + " - + " (0.0 + (1.7396153620760586*10**(-9) - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/34.014+ (0.0 + (0.2545911810163394 - 0.0) * 0.5*(1-tanh(1250*(x-0.04))))/18.015 + " - + "(0.7452197771115008 + (0.7452197771115058 - 0.7452197771115008) * 0.5*(1-tanh(1250*(x-0.04))))/28.014)) ", - "fluid_pp(1)%gamma": 1.0e00 / (1.9326e00 - 1.0e00), - "fluid_pp(1)%pi_inf": 0, - "fluid_pp(1)%Re(1)": 20000000, - "cantera_file": ctfile, -} - -if __name__ == "__main__": - print(json.dumps(case)) diff --git a/tests/140C353C/golden-metadata.txt b/tests/140C353C/golden-metadata.txt deleted file mode 100644 index 194f645cf3..0000000000 --- a/tests/140C353C/golden-metadata.txt +++ /dev/null @@ -1,50 +0,0 @@ -This file was created on 2025-07-13 22:30:45.002768. - -mfc.sh: - - Invocation: test -o 1D Chemistry --generate - Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) - -CPU: - - CPU Info: - From lscpu - Architecture: x86_64 - CPU op-mode(s): 32-bit, 64-bit - Address sizes: 39 bits physical, 48 bits virtual - Byte Order: Little Endian - CPU(s): 20 - On-line CPU(s) list: 0-19 - Vendor ID: GenuineIntel - Model name: 12th Gen Intel(R) Core(TM) i7-12700H - CPU family: 6 - Model: 154 - Thread(s) per core: 2 - Core(s) per socket: 10 - Socket(s): 1 - Stepping: 3 - BogoMIPS: 5375.99 - Flags: fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush mmx fxsr sse sse2 ss ht syscall nx pdpe1gb rdtscp lm constant_tsc rep_good nopl xtopology tsc_reliable nonstop_tsc cpuid pni pclmulqdq vmx ssse3 fma cx16 pcid sse4_1 sse4_2 x2apic movbe popcnt tsc_deadline_timer aes xsave avx f16c rdrand hypervisor lahf_lm abm 3dnowprefetch invpcid_single ssbd ibrs ibpb stibp ibrs_enhanced tpr_shadow vnmi ept vpid ept_ad fsgsbase tsc_adjust bmi1 avx2 smep bmi2 erms invpcid rdseed adx smap clflushopt clwb sha_ni xsaveopt xsavec xgetbv1 xsaves avx_vnni umip waitpkg gfni vaes vpclmulqdq rdpid movdiri movdir64b fsrm md_clear serialize flush_l1d arch_capabilities - Virtualization: VT-x - Hypervisor vendor: Microsoft - Virtualization type: full - L1d cache: 480 KiB (10 instances) - L1i cache: 320 KiB (10 instances) - L2 cache: 12.5 MiB (10 instances) - L3 cache: 24 MiB (1 instance) - Vulnerability Gather data sampling: Not affected - Vulnerability Itlb multihit: Not affected - Vulnerability L1tf: Not affected - Vulnerability Mds: Not affected - Vulnerability Meltdown: Not affected - Vulnerability Mmio stale data: Not affected - Vulnerability Reg file data sampling: Mitigation; Clear Register File - Vulnerability Retbleed: Mitigation; Enhanced IBRS - Vulnerability Spec rstack overflow: Not affected - Vulnerability Spec store bypass: Mitigation; Speculative Store Bypass disabled via prctl and seccomp - Vulnerability Spectre v1: Mitigation; usercopy/swapgs barriers and __user pointer sanitization - Vulnerability Spectre v2: Mitigation; Enhanced / Automatic IBRS; IBPB conditional; RSB filling; PBRSB-eIBRS SW sequence; BHI BHI_DIS_S - Vulnerability Srbds: Not affected - Vulnerability Tsx async abort: Not affected - diff --git a/tests/140C353C/golden.txt b/tests/140C353C/golden.txt deleted file mode 100644 index fc32e242e6..0000000000 --- a/tests/140C353C/golden.txt +++ /dev/null @@ -1,56 +0,0 @@ -D/cons.1.00.000000.dat 0.18696616117581 0.18696616117581 0.18696616117581 0.18696616117581 0.18696616117581 0.18696616117581 0.18696616117581 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0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 \ No newline at end of file diff --git a/tests/2BDE2018/golden-metadata.txt b/tests/2BDE2018/golden-metadata.txt index b840a41c06..738dc0f211 100644 --- a/tests/2BDE2018/golden-metadata.txt +++ b/tests/2BDE2018/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:30:26.575583. +This file was created on 2025-07-14 12:10:05.065100. mfc.sh: Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) + Git: 222c7ccc65c1ebb35b38e66c35532a47cf9b9166 on Diffusion (dirty) CPU: diff --git a/tests/41AD0140/golden-metadata.txt b/tests/41AD0140/golden-metadata.txt index 77b816a5dd..d7010e4c07 100644 --- a/tests/41AD0140/golden-metadata.txt +++ b/tests/41AD0140/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:30:40.635112. +This file was created on 2025-07-14 12:10:13.377577. mfc.sh: Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) + Git: 222c7ccc65c1ebb35b38e66c35532a47cf9b9166 on Diffusion (dirty) CPU: diff --git a/tests/4D7D85B4/golden-metadata.txt b/tests/4D7D85B4/golden-metadata.txt index 5f2b2babee..2cca94b85c 100644 --- a/tests/4D7D85B4/golden-metadata.txt +++ b/tests/4D7D85B4/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:30:22.514177. +This file was created on 2025-07-14 12:10:02.879751. mfc.sh: Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) + Git: 222c7ccc65c1ebb35b38e66c35532a47cf9b9166 on Diffusion (dirty) CPU: diff --git a/tests/5DCF300C/golden-metadata.txt b/tests/5DCF300C/golden-metadata.txt index 242a2fe84a..74248c0a82 100644 --- a/tests/5DCF300C/golden-metadata.txt +++ b/tests/5DCF300C/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:30:15.046276. +This file was created on 2025-07-14 12:10:00.616477. mfc.sh: Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) + Git: 222c7ccc65c1ebb35b38e66c35532a47cf9b9166 on Diffusion (dirty) CPU: diff --git a/tests/6B3AE48F/golden-metadata.txt b/tests/6B3AE48F/golden-metadata.txt index b74626d29a..0496b8cc08 100644 --- a/tests/6B3AE48F/golden-metadata.txt +++ b/tests/6B3AE48F/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:30:31.187441. +This file was created on 2025-07-14 12:10:07.299427. mfc.sh: Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) + Git: 222c7ccc65c1ebb35b38e66c35532a47cf9b9166 on Diffusion (dirty) CPU: diff --git a/tests/F8ADA51B/golden-metadata.txt b/tests/F8ADA51B/golden-metadata.txt index 14b357d1bb..0a02f0c2c9 100644 --- a/tests/F8ADA51B/golden-metadata.txt +++ b/tests/F8ADA51B/golden-metadata.txt @@ -1,10 +1,10 @@ -This file was created on 2025-07-13 22:30:35.744607. +This file was created on 2025-07-14 12:10:09.546959. mfc.sh: Invocation: test -o 1D Chemistry --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No & single=No - Git: c792713d7da258436dabc3f3d7ee588acefe73bf on Diffusion (dirty) + Git: 222c7ccc65c1ebb35b38e66c35532a47cf9b9166 on Diffusion (dirty) CPU: diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 250bc1e252..93946d5995 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -936,7 +936,7 @@ def foreach_example(): continue # # List of currently broken examples -> currently attempting to fix! - brokenCases = ["2D_ibm_cfl_dt", "1D_sodHypo", "2D_viscous", "2D_laplace_pressure_jump", "2D_bubbly_steady_shock", "2D_advection", "2D_hardcodied_ic", "2D_ibm_multiphase", "2D_acoustic_broadband", "1D_inert_shocktube", "1D_reactive_shocktube", "1D_Premixed_Flame", "2D_ibm_steady_shock", "3D_performance_test", "3D_ibm_stl_ellipsoid", "3D_sphbubcollapse", "2D_ibm_stl_wedge", "3D_ibm_stl_pyramid", "3D_ibm_bowshock", "3D_turb_mixing", "2D_mixing_artificial_Ma", "2D_lagrange_bubblescreen", "3D_lagrange_bubblescreen", "2D_triple_point"] + brokenCases = ["2D_ibm_cfl_dt", "1D_sodHypo", "2D_viscous", "2D_laplace_pressure_jump", "2D_bubbly_steady_shock", "2D_advection", "2D_hardcodied_ic", "2D_ibm_multiphase", "2D_acoustic_broadband", "1D_inert_shocktube", "1D_reactive_shocktube", "2D_ibm_steady_shock", "3D_performance_test", "3D_ibm_stl_ellipsoid", "3D_sphbubcollapse", "2D_ibm_stl_wedge", "3D_ibm_stl_pyramid", "3D_ibm_bowshock", "3D_turb_mixing", "2D_mixing_artificial_Ma", "2D_lagrange_bubblescreen", "3D_lagrange_bubblescreen", "2D_triple_point"] if path in brokenCases: continue name = f"{path.split('_')[0]} -> Example -> {'_'.join(path.split('_')[1:])}" @@ -1007,15 +1007,6 @@ def chemistry_cases(): stack.pop() - cases.append(define_case_f( - f'1D -> Chemistry -> Premixed Flame', - 'examples/1D_Premixed_Flame/case.py', - mods={ - 't_step_stop': 100, 't_step_save': 100, 'm': 200 - }, - override_tol=10**(-10) - )) - foreach_dimension() mhd_cases() From 5e5cd04c4e87748b0138879a9df10731a2bb4b63 Mon Sep 17 00:00:00 2001 From: Dimitrios Adam Date: Tue, 15 Jul 2025 14:23:14 -0400 Subject: [PATCH 43/43] Tolerances --- toolchain/mfc/test/cases.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py index 93946d5995..b6f23492b3 100644 --- a/toolchain/mfc/test/cases.py +++ b/toolchain/mfc/test/cases.py @@ -986,7 +986,7 @@ def chemistry_cases(): 'chem_params%gamma_method': gamma_method, 'weno_order': 3, "mapped_weno": 'F', 'mp_weno': 'F' }, - override_tol=10**(-11) + override_tol=10**(-10) )) stack.push(f'1D -> Chemistry -> MultiComponent Diffusion', {'m': 200, @@ -1003,7 +1003,7 @@ def chemistry_cases(): 'patch_icpp(1)%alpha_rho(1)': '1.01325d0*10.0d0**(5.0d0)/(((320.0d0-1350.0d0)*(1.0d0-0.50d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+1350.0d0)*8.3144626d0*1000.0d0*( ((0.195d0-0.142d0)*(1.0d0-0.5d0*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.142d0)/31.998d0 +((0.0-0.1)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.1)/18.01508d0+ ((0.214-0.0)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.0)/16.04256 + ((0.591-0.758)*(1-0.5*exp(-(x-0.05d0/2.0d0)**2/(2.5d0*10.0d0**(-3.0d0))**2))+0.758)/28.0134))', 'fluid_pp(1)%gamma': 1.0e00 / (1.9326e00 - 1.0e00), 'fluid_pp(1)%pi_inf': 0, 'cantera_file': 'h2o2.yaml', 't_step_start': 0, 't_step_stop': 50, 't_step_save': 50 }) - cases.append(define_case_d(stack, '', {},override_tol=10**(-10))) + cases.append(define_case_d(stack, '', {},override_tol=10**(-9))) stack.pop()