diff --git a/examples/nD_perfect_reactor/case.py b/examples/nD_perfect_reactor/case.py index 9cd97d68af..c1b3b082b6 100644 --- a/examples/nD_perfect_reactor/case.py +++ b/examples/nD_perfect_reactor/case.py @@ -26,7 +26,7 @@ sol.TPX = 1_600, ct.one_atm, 'H2:0.04, O2:0.02, AR:0.94' -Nx = 25 * args.scale +Nx = int(25 * args.scale) Tend = 1e-4 s = 1e-2 dt = 1e-7 diff --git a/src/common/m_variables_conversion.fpp b/src/common/m_variables_conversion.fpp index ffc6e02ba6..f6fd7e5542 100644 --- a/src/common/m_variables_conversion.fpp +++ b/src/common/m_variables_conversion.fpp @@ -23,7 +23,7 @@ module m_variables_conversion use m_helper use m_thermochem, only: & - num_species, get_temperature, get_pressure, & + num_species, get_temperature, get_pressure, gas_constant, & get_mixture_molecular_weight, get_mixture_energy_mass ! ========================================================================== @@ -1114,7 +1114,7 @@ contains end do call get_mixture_molecular_weight(Ys, mix_mol_weight) - T = q_prim_vf(T_idx)%sf(j, k, l) + T = q_prim_vf(E_idx)%sf(j, k, l)*mix_mol_weight/(gas_constant*rho) call get_mixture_energy_mass(T, Ys, e_mix) q_cons_vf(E_idx)%sf(j, k, l) = & diff --git a/src/post_process/p_main.fpp b/src/post_process/p_main.fpp index e48bb80114..33a1729a8e 100644 --- a/src/post_process/p_main.fpp +++ b/src/post_process/p_main.fpp @@ -44,6 +44,13 @@ program p_main ! Time-Marching Loop ======================================================= do + ! If all time-steps are not ready to be post-processed and one rank is + ! faster than another, the slower rank processing the last available + ! step might be killed when the faster rank attempts to process the + ! first missing step, before the slower rank finishes writing the last + ! available step. To avoid this, we force synchronization here. + call s_mpi_barrier() + call s_perform_time_step(t_step) call s_save_data(t_step, varname, pres, c, H) diff --git a/src/simulation/m_chemistry.fpp b/src/simulation/m_chemistry.fpp index 14b6c3b8e8..27e2923e30 100644 --- a/src/simulation/m_chemistry.fpp +++ b/src/simulation/m_chemistry.fpp @@ -51,53 +51,6 @@ contains end subroutine s_finalize_chemistry_module - subroutine s_compute_chemistry_advection_flux(flux_n, rhs_vf) - - type(vector_field), dimension(:), intent(IN) :: flux_n - type(scalar_field), dimension(sys_size), intent(INOUT) :: rhs_vf - integer :: x, y, z - integer :: eqn - - real(kind(0d0)) :: flux_x, flux_y, flux_z - - #:for num_dims in range(1, 4) - if (num_dims == ${num_dims}$) then - !$acc parallel loop collapse(4) gang vector default(present) & - !$acc private(flux_x, flux_y, flux_z) - do z = idwint(3)%beg, idwint(3)%end - do y = idwint(2)%beg, idwint(2)%end - do x = idwint(1)%beg, idwint(1)%end - do eqn = chemxb, chemxe - ! \nabla \cdot (F) - flux_x = (flux_n(1)%vf(eqn)%sf(x - 1, y, z) - & - flux_n(1)%vf(eqn)%sf(x, y, z))/dx(x) - - #:if num_dims >= 2 - flux_y = (flux_n(2)%vf(eqn)%sf(x, y - 1, z) - & - flux_n(2)%vf(eqn)%sf(x, y, z))/dy(y) - #:else - flux_y = 0d0 - #:endif - - #:if num_dims == 3 - flux_z = (flux_n(3)%vf(eqn)%sf(x, y, z - 1) - & - flux_n(3)%vf(eqn)%sf(x, y, z))/dz(z) - #:else - flux_z = 0d0 - #:endif - - rhs_vf(eqn)%sf(x, y, z) = flux_x + flux_y + flux_z - end do - - rhs_vf(T_idx)%sf(x, y, z) = 0d0 - end do - end do - end do - end if - #:endfor - - end subroutine s_compute_chemistry_advection_flux - subroutine s_compute_chemistry_reaction_flux(rhs_vf, q_cons_qp, q_prim_qp) type(scalar_field), dimension(sys_size), intent(INOUT) :: rhs_vf, q_cons_qp, q_prim_qp diff --git a/src/simulation/m_rhs.fpp b/src/simulation/m_rhs.fpp index 389847dd75..0e5572b596 100644 --- a/src/simulation/m_rhs.fpp +++ b/src/simulation/m_rhs.fpp @@ -860,12 +860,6 @@ contains end do ! END: Dimensional Splitting Loop ================================= - if (chemistry) then - call nvtxStartRange("RHS-CHEM-ADVECTION") - call s_compute_chemistry_advection_flux(flux_n, rhs_vf) - call nvtxEndRange - end if - if (ib) then !$acc parallel loop collapse(3) gang vector default(present) do l = 0, p @@ -904,6 +898,10 @@ contains end if if (chemistry) then + !$acc kernels + rhs_vf(T_idx)%sf(:, :, :) = 0d0 + !$acc end kernels + if (chem_params%reactions) then call nvtxStartRange("RHS-CHEM-REACTIONS") call s_compute_chemistry_reaction_flux(rhs_vf, q_cons_qp%vf, q_prim_qp%vf) diff --git a/src/simulation/m_riemann_solvers.fpp b/src/simulation/m_riemann_solvers.fpp index 1b91bfc84c..7a9bdbb11d 100644 --- a/src/simulation/m_riemann_solvers.fpp +++ b/src/simulation/m_riemann_solvers.fpp @@ -797,8 +797,8 @@ contains Y_L = qL_prim_rs${XYZ}$_vf(j, k, l, i) Y_R = qR_prim_rs${XYZ}$_vf(j + 1, k, l, i) - flux_rs${XYZ}$_vf(j, k, l, i) = (s_M*Y_R*rho_R*vel_R(dir_idx(norm_dir)) & - - s_P*Y_L*rho_L*vel_L(dir_idx(norm_dir)) & + flux_rs${XYZ}$_vf(j, k, l, i) = (s_M*Y_R*rho_R*vel_R(dir_idx(1)) & + - s_P*Y_L*rho_L*vel_L(dir_idx(1)) & + s_M*s_P*(Y_L*rho_L - Y_R*rho_R)) & /(s_M - s_P) flux_src_rs${XYZ}$_vf(j, k, l, i) = 0d0 diff --git a/tests/1550B67E/golden-metadata.txt b/tests/1550B67E/golden-metadata.txt index 80b1d8d437..7c310baa65 100644 --- a/tests/1550B67E/golden-metadata.txt +++ b/tests/1550B67E/golden-metadata.txt @@ -1,142 +1,10 @@ -This file was created on 2024-11-04 03:00:13.019717. +This file was created on 2024-12-08 16:59:26.849495. mfc.sh: Invocation: test -o Chemistry -j 8 --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No - Git: 18210fc9afef597bbb753018bd39ceaf3ad1a11b on chemfc-up (dirty) - -post_process: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : ON - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/mFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /opt/homebrew/bin/gcc-14 - CXX : /opt/homebrew/bin/g++-14 - FC : /opt/homebrew/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 - -pre_process: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/MFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : gcc-14 - CXX : g++-14 - FC : gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 - -simulation: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/MFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : gcc-14 - CXX : g++-14 - FC : gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 - -syscheck: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/MFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : gcc-14 - CXX : g++-14 - FC : gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 + Git: 3db5a122b1f2318814c373b60db439005b2fad1a on chem-adv-fixes (dirty) CPU: diff --git a/tests/2BDE2018/golden-metadata.txt b/tests/2BDE2018/golden-metadata.txt index 3ec331160d..f9529e0467 100644 --- a/tests/2BDE2018/golden-metadata.txt +++ b/tests/2BDE2018/golden-metadata.txt @@ -1,142 +1,10 @@ -This file was created on 2024-11-04 03:00:12.789744. +This file was created on 2024-12-08 16:59:26.555770. mfc.sh: Invocation: test -o Chemistry -j 8 --generate Lock: mpi=Yes & gpu=No & debug=No & gcov=No & unified=No - Git: 18210fc9afef597bbb753018bd39ceaf3ad1a11b on chemfc-up (dirty) - -post_process: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : ON - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/mFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : /opt/homebrew/bin/gcc-14 - CXX : /opt/homebrew/bin/g++-14 - FC : /opt/homebrew/bin/gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 - -pre_process: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : ON - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/MFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : gcc-14 - CXX : g++-14 - FC : gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 - -simulation: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : ON - POST_PROCESS : OFF - SYSCHECK : OFF - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/MFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : gcc-14 - CXX : g++-14 - FC : gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 - -syscheck: - - CMake Configuration: - - CMake v3.30.5 on Henrys-Laptop.local - - C : GNU v14.2.0 (/opt/homebrew/bin/gcc-14) - Fortran : GNU v14.2.0 (/opt/homebrew/bin/gfortran-14) - - PRE_PROCESS : OFF - SIMULATION : OFF - POST_PROCESS : OFF - SYSCHECK : ON - DOCUMENTATION : OFF - ALL : OFF - - MPI : ON - OpenACC : OFF - - Fypp : /Users/henryleberre/dev/MFC/build/venv/bin/fypp - Doxygen : - - Build Type : Release - - Configuration Environment: - - CC : gcc-14 - CXX : g++-14 - FC : gfortran-14 - OMPI_CC : - OMPI_CXX : g++-14 - OMPI_FC : gfortran-14 + Git: 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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 diff --git a/toolchain/mfc/build.py b/toolchain/mfc/build.py index 5edd7b73e9..156842a910 100644 --- a/toolchain/mfc/build.py +++ b/toolchain/mfc/build.py @@ -243,15 +243,17 @@ def get_configured_targets(case: input.MFCInputFile) -> typing.List[MFCTarget]: return [ target for target in TARGETS if target.is_configured(case) ] -def __generate_header(step_name: str, targets: typing.List): - caseopt_info = "Generic Build" +def __generate_header(case: input.MFCInputFile, targets: typing.List): + feature_flags = [ + 'Build', + format_list_to_string([ t.name for t in get_targets(targets) ], 'magenta') + ] if ARG("case_optimization"): - caseopt_info = f"Case Optimized for [magenta]{ARG('input')}[/magenta]" + feature_flags.append(f"Case Optimized: [magenta]{ARG('input')}[/magenta]") + if case.params.get('chemistry', 'F') == 'T': + feature_flags.append(f"Chemistry: [magenta]{case.get_cantera_solution().source}[/magenta]") - targets = get_targets(targets) - target_list = format_list_to_string([ t.name for t in targets ], 'magenta') - - return f"[bold]{step_name} | {target_list} | {caseopt_info}[/bold]" + return f"[bold]{' | '.join(feature_flags or ['Generic'])}[/bold]" def build(targets = None, case: input.MFCInputFile = None, history: typing.Set[str] = None): @@ -267,7 +269,7 @@ def build(targets = None, case: input.MFCInputFile = None, history: typing.Set[s case.validate_params() if len(history) == 0: - cons.print(__generate_header("Build", targets)) + cons.print(__generate_header(case, targets)) cons.print(no_indent=True) for target in targets: