diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index dae19cc6f..e98c8c034 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -273,6 +273,7 @@ jobs: -DPELEC_ENABLE_MPI:BOOL=ON \ -DPELEC_ENABLE_FCOMPARE_FOR_TESTS:BOOL=OFF \ -DPELEC_ENABLE_MASA:BOOL=ON \ + -DPELEC_EXCLUDE_BUILD_IN_CI:BOOL=ON \ -DMASA_ROOT:PATH=${{runner.workspace}}/deps/install/MASA \ -DCMAKE_CXX_COMPILER_LAUNCHER:STRING=ccache \ ${{github.workspace}}; \ @@ -365,6 +366,7 @@ jobs: -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON \ -DPELEC_ENABLE_MPI:BOOL=OFF \ -DPELEC_ENABLE_CUDA:BOOL=ON \ + -DPELEC_EXCLUDE_BUILD_IN_CI:BOOL=ON \ -DAMReX_CUDA_ERROR_CAPTURE_THIS:BOOL=ON \ -DCMAKE_CUDA_ARCHITECTURES:STRING=70 \ -DCMAKE_CUDA_COMPILER_LAUNCHER:STRING=ccache \ @@ -430,6 +432,7 @@ jobs: -DCMAKE_CXX_STANDARD:STRING=17 \ -DPELEC_ENABLE_MPI:BOOL=OFF \ -DPELEC_ENABLE_HIP:BOOL=ON \ + -DPELEC_EXCLUDE_BUILD_IN_CI:BOOL=ON \ -DAMReX_AMD_ARCH:STRING=gfx90a \ -DCMAKE_HIP_ARCHITECTURES:STRING=gfx90a \ -DAMDGPU_TARGETS:STRING=gfx90a \ @@ -502,6 +505,7 @@ jobs: -DPELEC_ENABLE_MASA:BOOL=OFF \ -DPELEC_ENABLE_FCOMPARE_FOR_TESTS:BOOL=OFF \ -DPELEC_ENABLE_SYCL:BOOL=ON \ + -DPELEC_EXCLUDE_BUILD_IN_CI:BOOL=ON \ -DCMAKE_CXX_COMPILER_LAUNCHER:STRING=ccache \ ${{github.workspace}} - name: Build @@ -589,6 +593,7 @@ jobs: -DPELEC_ENABLE_FCOMPARE_FOR_TESTS:BOOL=OFF \ -DPELEC_ENABLE_MASA:BOOL=OFF \ -DPELEC_ENABLE_CLANG_TIDY:BOOL=ON \ + -DPELEC_EXCLUDE_BUILD_IN_CI:BOOL=ON \ -DCMAKE_CXX_COMPILER_LAUNCHER:STRING=ccache \ ${{github.workspace}} - name: Check @@ -638,6 +643,7 @@ jobs: -DPELEC_ENABLE_MPI:BOOL=OFF \ -DPELEC_ENABLE_FCOMPARE_FOR_TESTS:BOOL=OFF \ -DPELEC_ENABLE_MASA:BOOL=OFF \ + -DPELEC_EXCLUDE_BUILD_IN_CI:BOOL=ON \ -DPELEC_ENABLE_CLANG_TIDY:BOOL=OFF \ ${{github.workspace}} - name: Build diff --git a/CMakeLists.txt b/CMakeLists.txt index 1f5f5bd8d..e0231e14d 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -24,6 +24,7 @@ option(PELEC_ENABLE_TINY_PROFILE "Enable tiny profiler in AMReX" OFF) option(PELEC_ENABLE_HDF5 "Enable plot file output using HDF5" OFF) option(PELEC_ENABLE_HDF5_ZFP "Enable ZFP compression in HDF5" OFF) option(PELEC_ENABLE_ASCENT "Enable Ascent in-situ visualization" OFF) +option(PELEC_EXCLUDE_BUILD_IN_CI "Exclude some builds when running in the CI" OFF) set(PELEC_PRECISION "DOUBLE" CACHE STRING "Floating point precision SINGLE or DOUBLE") #Options for performance diff --git a/Exec/RegTests/CMakeLists.txt b/Exec/RegTests/CMakeLists.txt index 3d4f1d831..81aa85bcb 100644 --- a/Exec/RegTests/CMakeLists.txt +++ b/Exec/RegTests/CMakeLists.txt @@ -12,6 +12,14 @@ add_subdirectory(MassCons) if(PELEC_ENABLE_AMREX_PARTICLES) add_subdirectory(Spray-Conv) + if(NOT PELEC_EXCLUDE_BUILD_IN_CI) + add_subdirectory(Spray-A-Wbreakup) + add_subdirectory(Spray-EB) + add_subdirectory(Spray-Evaporation) + add_subdirectory(Spray-Jet) + add_subdirectory(Spray-Multijet) + add_subdirectory(Spray-TG) + endif() endif() add_subdirectory(EB-C3) @@ -22,7 +30,10 @@ add_subdirectory(EB-C11) add_subdirectory(EB-C12) #add_subdirectory(EB-C14) add_subdirectory(EB-ConvergingNozzle) -add_subdirectory(Soot-Flame) +add_subdirectory(Soot-ZeroD) +if(NOT PELEC_EXCLUDE_BUILD_IN_CI) + add_subdirectory(Soot-Flame) +endif() if(PELEC_DIM GREATER 2) add_subdirectory(EB-C7) add_subdirectory(EB-C8) diff --git a/Exec/RegTests/Soot-Flame/GNUmakefile b/Exec/RegTests/Soot-Flame/GNUmakefile index 2976999df..d8fb4c728 100644 --- a/Exec/RegTests/Soot-Flame/GNUmakefile +++ b/Exec/RegTests/Soot-Flame/GNUmakefile @@ -5,7 +5,7 @@ PRECISION = DOUBLE # Profiling PROFILE = FALSE -TINY_PROFILE = TRUE +TINY_PROFILE = FALSE COMM_PROFILE = FALSE TRACE_PROFILE = FALSE MEM_PROFILE = FALSE @@ -16,6 +16,7 @@ USE_MPI = FALSE USE_OMP = FALSE USE_CUDA = FALSE USE_HIP = FALSE +USE_SYCL = FALSE # Debugging DEBUG = FALSE @@ -32,7 +33,6 @@ Transport_Model := Simple # Soot USE_SOOT = TRUE -# If this is changed, must run a make clean and rerun make NUM_SOOT_MOMENTS = 3 #NUM_SOOT_MOMENTS = 6 diff --git a/Exec/RegTests/Soot-Flame/soot-flame.inp b/Exec/RegTests/Soot-Flame/soot-flame.inp index 2e86042bd..fa7995f29 100644 --- a/Exec/RegTests/Soot-Flame/soot-flame.inp +++ b/Exec/RegTests/Soot-Flame/soot-flame.inp @@ -25,7 +25,6 @@ pelec.diffuse_spec = 1 pelec.do_react = 1 pelec.chem_integrator = "ReactorCvode" pelec.do_mol = 0 -pelec.do_grav = 0 pelec.allow_negative_energy = 1 # TIME STEP CONTROL @@ -61,7 +60,6 @@ amr.plot_file = plt # root name of plotfile # SOOT MODELING soot.incept_pah = A2 # Soot inception species soot.v = 0 -soot.max_dt_rate = 0.01 soot.num_subcycles = 1 soot.temp_cutoff = 350. soot.conserve_mass = false diff --git a/Exec/RegTests/Soot-ZeroD/CMakeLists.txt b/Exec/RegTests/Soot-ZeroD/CMakeLists.txt new file mode 100644 index 000000000..a5ab4ce69 --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/CMakeLists.txt @@ -0,0 +1,7 @@ +set(PELEC_ENABLE_PARTICLES OFF) +set(PELEC_ENABLE_SOOT ON) +set(PELE_NUM_SOOT_MOMENTS 3) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL SootReaction) +set(PELEC_TRANSPORT_MODEL Simple) +include(BuildExeAndLib) diff --git a/Exec/RegTests/Soot-ZeroD/GNUmakefile b/Exec/RegTests/Soot-ZeroD/GNUmakefile new file mode 100644 index 000000000..d8fb4c728 --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/GNUmakefile @@ -0,0 +1,43 @@ +# AMReX +DIM = 2 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_SYCL = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +PELE_CVODE_FORCE_YCORDER = FALSE +PELE_USE_MAGMA = FALSE +PELE_COMPILE_AJACOBIAN = FALSE +Eos_Model := Fuego +Chemistry_Model := SootReaction +Transport_Model := Simple + +# Soot +USE_SOOT = TRUE +NUM_SOOT_MOMENTS = 3 +#NUM_SOOT_MOMENTS = 6 + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/Exec/Make.PeleC diff --git a/Exec/RegTests/Soot-ZeroD/Make.package b/Exec/RegTests/Soot-ZeroD/Make.package new file mode 100644 index 000000000..1080bc23d --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/Make.package @@ -0,0 +1,3 @@ +CEXE_sources += prob.cpp +CEXE_headers += prob.H +CEXE_headers += prob_parm.H diff --git a/Exec/RegTests/Soot-ZeroD/example.inp b/Exec/RegTests/Soot-ZeroD/example.inp new file mode 100644 index 000000000..6fe75cd10 --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/example.inp @@ -0,0 +1,80 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000000 +stop_time = 0.022 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0. 0. 0. +geometry.prob_hi = 1. 1. 1. +amr.n_cell = 4 4 4 + +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +amrex.fpe_trap_invalid = 1 +amrex.fpe_trap_zero = 1 +amrex.fpe_trap_overflow = 1 + +cvode.solve_type = dense_direct + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 0 +pelec.diffuse_temp = 0 +pelec.diffuse_enth = 0 +pelec.diffuse_spec = 0 +pelec.do_react = 1 +pelec.chem_integrator = "ReactorCvode" +pelec.do_mol = 1 +pelec.allow_negative_energy = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.3 # cfl number for hyperbolic system +pelec.init_shrink = 0.1 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +pelec.fixed_dt = 1.E-7 + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 32 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 1000 + +# PLOTFILES +amr.plot_file = plt # root name of plotfile +amr.plot_per = 2.5E-5 + +# SOOT MODELING +soot.incept_pah = A2 # Soot inception species +soot.v = 0 +soot.conserve_mass = true + +pelec.add_soot_src = 1 +amr.derive_plot_vars = x_velocity y_velocity pressure soot_vars soot_large_particles +pelec.plot_rhoy = 0 +pelec.plot_massfrac = 1 +amr.file_name_digits = 7 + +pelec.plot_soot = 1 + +# PROBLEM INPUT +prob.init_T = 1300. +prob.init_p = 1.01325E6 +prob.init_N2 = 0.6686465670855919 +prob.init_O2 = 0.20313062439007742 +prob.init_fuel = 0.12822280852433066 +prob.fuel_name = N-C7H16 \ No newline at end of file diff --git a/Exec/RegTests/Soot-ZeroD/prob.H b/Exec/RegTests/Soot-ZeroD/prob.H new file mode 100644 index 000000000..c15ef1054 --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/prob.H @@ -0,0 +1,94 @@ +#ifndef PROB_H +#define PROB_H + +#include +#include +#include +#include + +#include "mechanism.H" + +#include "IndexDefines.H" +#include "Constants.H" +#include "PelePhysics.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" +#include "SootModel.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& prob_parm) +{ + + // Geometry + // const amrex::Real* prob_lo = geomdata.ProbLo(); + // const amrex::Real* prob_hi = geomdata.ProbHi(); + // const amrex::Real* dx = geomdata.CellSize(); + // const amrex::Real x = prob_lo[0] + (i + 0.5) * dx[0]; + // const amrex::Real y = prob_lo[1] + (j + 0.5) * dx[1]; + // const amrex::Real z = prob_lo[2] + (k + 0.5) * dx[2]; + + // TG functions + amrex::Real u[3] = {0.0}; + const amrex::Real p = prob_parm.p0; + amrex::Real rho, eint; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[O2_ID] = prob_parm.Y_O2; + massfrac[N2_ID] = prob_parm.Y_N2; + massfrac[prob_parm.fuelIndx] = prob_parm.Y_Fuel; + amrex::Real Tval = prob_parm.T0; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE(p, massfrac, Tval, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = Tval; + for (int n = 0; n < NUM_SPECIES; n++) { + state(i, j, k, UFS + n) = rho * massfrac[n]; + } + for (int n = 0; n < NUM_SOOT_MOMENTS + 1; n++) { + state(i, j, k, UFSOOT + n) = prob_parm.soot_vals[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real* /*x*/, + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int /*idir*/, + const int /*sgn*/, + const amrex::Real /*time*/, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& /*prob_parm*/, + const amrex::GpuArray& /*turb_fluc*/) +{ + // This sets the values at the boundary equal to the + // adjacent interior values + for (int n = 0; n < NVAR; n++) { + s_ext[n] = s_int[n]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; +#endif diff --git a/Exec/RegTests/Soot-ZeroD/prob.cpp b/Exec/RegTests/Soot-ZeroD/prob.cpp new file mode 100644 index 000000000..6f86ec8b2 --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/prob.cpp @@ -0,0 +1,73 @@ +#include "prob.H" + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* /*init*/, + const int* /*name*/, + const int* /*namelen*/, + const amrex_real* /*problo*/, + const amrex_real* /*probhi*/) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("init_p", PeleC::h_prob_parm_device->p0); + pp.query("init_T", PeleC::h_prob_parm_device->T0); + pp.query("init_N2", PeleC::h_prob_parm_device->Y_N2); + pp.query("init_O2", PeleC::h_prob_parm_device->Y_O2); + pp.query("init_fuel", PeleC::h_prob_parm_device->Y_Fuel); + std::string fuel_name = "C2H4"; + pp.query("fuel_name", fuel_name); + amrex::Vector spec_names; + pele::physics::eos::speciesNames(spec_names); + for (int sp = 0; sp < NUM_SPECIES; ++sp) { + std::string spec_name = spec_names[sp]; + if (spec_name == fuel_name) + PeleC::h_prob_parm_device->fuelIndx = sp; + } + if (PeleC::h_prob_parm_device->fuelIndx < 0) + amrex::Abort("Fuel not found in chemistry mechanism"); + + // Initial density, velocity, and material properties + auto eos = pele::physics::PhysicsType::eos(); + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[N2_ID] = PeleC::h_prob_parm_device->Y_N2; + massfrac[O2_ID] = PeleC::h_prob_parm_device->Y_O2; + massfrac[PeleC::h_prob_parm_device->fuelIndx] = + PeleC::h_prob_parm_device->Y_Fuel; + eos.PYT2RE( + PeleC::h_prob_parm_device->p0, massfrac, PeleC::h_prob_parm_device->T0, + PeleC::h_prob_parm_device->rho0, eint); + eos.RTY2Cs( + PeleC::h_prob_parm_device->rho0, PeleC::h_prob_parm_device->T0, massfrac, + cs); + eos.TY2Cp(PeleC::h_prob_parm_device->T0, massfrac, cp); + amrex::Real moments[NUM_SOOT_MOMENTS + 1]; + SootData* const sd = PeleC::soot_model.getSootData(); + sd->initialSmallMomVals(moments); + for (int n = 0; n < NUM_SOOT_MOMENTS + 1; ++n) { + PeleC::h_prob_parm_device->soot_vals[n] = moments[n]; + } +} +} + +void +PeleC::problem_post_timestep() +{ +} + +void +PeleC::problem_post_init() +{ +} + +void +PeleC::problem_post_restart() +{ +} diff --git a/Exec/RegTests/Soot-ZeroD/prob_parm.H b/Exec/RegTests/Soot-ZeroD/prob_parm.H new file mode 100644 index 000000000..be1f680a1 --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/prob_parm.H @@ -0,0 +1,23 @@ +#ifndef PROB_PARM_H +#define PROB_PARM_H + +#include +#include + +struct ProbParmDevice +{ + amrex::Real p0 = 1.013e6; // [erg cm^-3] + amrex::Real T0 = 300.0; + amrex::Real rho0 = 0.0; + amrex::Real Y_N2 = 0.6693174609128006; + amrex::Real Y_O2 = 0.20333443771796805; + amrex::Real Y_Fuel = 0.12734810136923122; + amrex::GpuArray soot_vals; + int fuelIndx = -1; +}; + +struct ProbParmHost +{ +}; + +#endif diff --git a/Exec/RegTests/Soot-ZeroD/soot-zerod.inp b/Exec/RegTests/Soot-ZeroD/soot-zerod.inp new file mode 100644 index 000000000..6fe75cd10 --- /dev/null +++ b/Exec/RegTests/Soot-ZeroD/soot-zerod.inp @@ -0,0 +1,80 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000000 +stop_time = 0.022 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0. 0. 0. +geometry.prob_hi = 1. 1. 1. +amr.n_cell = 4 4 4 + +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +amrex.fpe_trap_invalid = 1 +amrex.fpe_trap_zero = 1 +amrex.fpe_trap_overflow = 1 + +cvode.solve_type = dense_direct + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 0 +pelec.diffuse_temp = 0 +pelec.diffuse_enth = 0 +pelec.diffuse_spec = 0 +pelec.do_react = 1 +pelec.chem_integrator = "ReactorCvode" +pelec.do_mol = 1 +pelec.allow_negative_energy = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.3 # cfl number for hyperbolic system +pelec.init_shrink = 0.1 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +pelec.fixed_dt = 1.E-7 + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 32 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 1000 + +# PLOTFILES +amr.plot_file = plt # root name of plotfile +amr.plot_per = 2.5E-5 + +# SOOT MODELING +soot.incept_pah = A2 # Soot inception species +soot.v = 0 +soot.conserve_mass = true + +pelec.add_soot_src = 1 +amr.derive_plot_vars = x_velocity y_velocity pressure soot_vars soot_large_particles +pelec.plot_rhoy = 0 +pelec.plot_massfrac = 1 +amr.file_name_digits = 7 + +pelec.plot_soot = 1 + +# PROBLEM INPUT +prob.init_T = 1300. +prob.init_p = 1.01325E6 +prob.init_N2 = 0.6686465670855919 +prob.init_O2 = 0.20313062439007742 +prob.init_fuel = 0.12822280852433066 +prob.fuel_name = N-C7H16 \ No newline at end of file diff --git a/Exec/RegTests/Spray-A-Wbreakup/CMakeLists.txt b/Exec/RegTests/Spray-A-Wbreakup/CMakeLists.txt new file mode 100644 index 000000000..1cebf6eb8 --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/CMakeLists.txt @@ -0,0 +1,6 @@ +set(PELEC_ENABLE_AMREX_PARTICLES ON) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL dodecane_lu) +set(PELEC_TRANSPORT_MODEL Simple) +set(PELE_SPRAY_FUEL_NUM 1) +include(BuildExeAndLib) diff --git a/Exec/RegTests/Spray-A-Wbreakup/GNUmakefile b/Exec/RegTests/Spray-A-Wbreakup/GNUmakefile new file mode 100644 index 000000000..d1e1b08af --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/GNUmakefile @@ -0,0 +1,42 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_SYCL = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +PELE_CVODE_FORCE_YCORDER = FALSE +PELE_USE_MAGMA = FALSE +PELE_COMPILE_AJACOBIAN = FALSE +Eos_Model := Fuego +Chemistry_Model := dodecane_lu +Transport_Model := Simple + +# Spray +USE_PARTICLES = TRUE +SPRAY_FUEL_NUM = 1 + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/Exec/Make.PeleC diff --git a/Exec/RegTests/Spray-A-Wbreakup/Make.package b/Exec/RegTests/Spray-A-Wbreakup/Make.package new file mode 100644 index 000000000..1080bc23d --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/Make.package @@ -0,0 +1,3 @@ +CEXE_sources += prob.cpp +CEXE_headers += prob.H +CEXE_headers += prob_parm.H diff --git a/Exec/RegTests/Spray-A-Wbreakup/README.rst b/Exec/RegTests/Spray-A-Wbreakup/README.rst new file mode 100644 index 000000000..1014b76bf --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/README.rst @@ -0,0 +1,6 @@ +Spray A Problem +--------------- + +This is a Spray A test problem based on a configuration from ECN. This problem uses the KHRT breakup model and provides good comparisons with the experimental liquid and vapor penetrations. + +In order to run this problem, create a new directory called `PelePhysics/Support/Mechanism/multi_dechep` and move the mechanism files in the local `chem_files` directory into it. diff --git a/Exec/RegTests/Spray-A-Wbreakup/SprayParticlesInitInsert.cpp b/Exec/RegTests/Spray-A-Wbreakup/SprayParticlesInitInsert.cpp new file mode 100644 index 000000000..56d427e2b --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/SprayParticlesInitInsert.cpp @@ -0,0 +1,48 @@ + +#include "SprayParticles.H" +#include "SprayInjection.H" +#include "prob.H" + +bool +SprayParticleContainer::injectParticles( + amrex::Real time, + amrex::Real dt, + int /*nstep*/, + int lev, + int /*finest_level*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + if (lev != 0) { + return false; + } + bool do_inject = false; + amrex::ParmParse ps("spray.jet1"); + ps.query("do_inject", do_inject); + if (do_inject) { + SprayJet* js = m_sprayJets[0].get(); + if (!js->jet_active(time)) { + return false; + } + + sprayInjection(time, js, dt, lev); + } + // Redistribute is done outside of this function + return true; +} + +void +SprayParticleContainer::InitSprayParticles( + const bool /*init_parts*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + std::string jet_name = "jet1"; + bool do_inject = false; + amrex::ParmParse ps("spray.jet1"); + ps.query("do_inject", do_inject); + if (do_inject) { + m_sprayJets.push_back(std::make_unique(jet_name, Geom(0))); + } + return; +} diff --git a/Exec/RegTests/Spray-A-Wbreakup/example.inp b/Exec/RegTests/Spray-A-Wbreakup/example.inp new file mode 100644 index 000000000..1fdd99004 --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/example.inp @@ -0,0 +1,118 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000 +stop_time = 0.003 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = -0.6 -0.6 0. +geometry.prob_hi = 0.6 0.6 6. +amr.n_cell = 32 32 160 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +pelec.lo_bc = "FOExtrap" "FOExtrap" "NoSlipWall" +pelec.hi_bc = "FOExtrap" "FOExtrap" "FOExtrap" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 1 +pelec.chem_integrator = "ReactorNull" +pelec.plot_massfrac = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.5 # cfl number for hyperbolic system +pelec.init_shrink = 1. # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp + +# REFINEMENT / REGRIDDING +amr.max_level = 3 + +tagging.refinement_indicators = box +tagging.box.in_box_lo = -0.3 -0.3 0. +tagging.box.in_box_hi = 0.3 0.3 0.3 +# Use adaptive refinement based on temperature gradients +tagging.tempgrad = 40. +amr.regrid_int = 4 4 4 4 4 + +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.blocking_factor = 16 +amr.max_grid_size = 128 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.v = 0 +particles.derive_plot_vars = 1 +particles.mom_transfer = 1 +particles.mass_transfer = 1 + +particles.fuel_ref_temp = 298.15 + +particles.fuel_species = NC12H26 +particles.NC12H26_crit_temp = 658. +particles.NC12H26_boil_temp = 489. +particles.NC12H26_latent = 3.59411E9 +particles.NC12H26_cp = 2.217E7 +particles.NC12H26_lambda = 2059.0484837579133 -2.4391762758823385 9.633688833837596e-06 6.93350414269127e-07 +particles.NC12H26_mu = -0.028611188933370675 39.40765272136905 -18125.486152106896 3021587.187559424 +particles.NC12H26_rho = 1.7799145710513213 -0.006848424883513244 1.5016559178741312e-05 -1.2149370117669905e-08 +particles.NC12H26_psat = 4.265416493004907 1741.1453093807672 -80.90351868881419 1000000.0 +particles.fuel_sigma = 15. + +# CHECKPOINT FILES +#amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 1000 + +# PLOTFILES +#amr.plot_files_output = 0 +amr.plot_file = plt # root name of plotfile +amr.plot_per = 2.5E-4 +amr.derive_plot_vars = x_velocity y_velocity z_velocity pressure # these variables appear in the plotfile +amr.file_name_digits = 6 + +# PROBLEM +# Initial fluid properties +prob.ref_T = 900. +prob.ref_p = 6.E7 +prob.init_v = 0. +prob.X_N2 = 0.8971 +prob.X_O2 = 0. +prob.X_H2O = 0.0377 +prob.X_CO2 = 0.0652 + +# Properties of injected particles +spray.jet1.do_inject = 1 +spray.jet1.T = 363. +spray.jet1.jet_dia = 9.E-3 +spray.jet1.jet_cent = 0. 0. 0. +spray.jet1.jet_norm = 0. 0. 1. +spray.jet1.dist_type = Uniform +spray.jet1.diameter = 89.E-4 +spray.jet1.inject_ppp = 0.1 +spray.jet1.spread_angle = 20. +spray.jet1.roi_file = roi.dat +spray.jet1.discharge_coeff = 0.89 + +particles.use_splash_model = false +particles.use_breakup_model = KHRT +particles.KHRT_B0 = 0.61 +particles.KHRT_B1 = 7.3 +particles.KHRT_C3 = 5.3 +particles.breakup_parcel_factor = 0.5 + +amrex.abort_on_out_of_gpu_memory = 1 diff --git a/Exec/RegTests/Spray-A-Wbreakup/initspraydata.dat b/Exec/RegTests/Spray-A-Wbreakup/initspraydata.dat new file mode 100644 index 000000000..2f5a652d1 --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/initspraydata.dat @@ -0,0 +1,2 @@ +1 +0. 0.3 0.3 0. 0. 6.E4 363. 9E-3 1. 0.1 0.1 0. -1. 0. diff --git a/Exec/RegTests/Spray-A-Wbreakup/prob.H b/Exec/RegTests/Spray-A-Wbreakup/prob.H new file mode 100644 index 000000000..aa321fc0a --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/prob.H @@ -0,0 +1,92 @@ +#ifndef PROB_H +#define PROB_H + +#include +#include +#include +#include + +#include "mechanism.H" + +#include "IndexDefines.H" +#include "Constants.H" +#include "PelePhysics.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& prob_parm) +{ + + amrex::Real u[3] = {0.0}; + u[1] = prob_parm.v0; + const amrex::Real p = prob_parm.p0; + amrex::Real rho, eint; + + amrex::Real Tval = prob_parm.T0; + auto eos = pele::physics::PhysicsType::eos(); + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + if (prob_parm.mol_fracs) { + amrex::Real molfrac[NUM_SPECIES] = {0.0}; + molfrac[O2_ID] = prob_parm.YX_O2; + molfrac[N2_ID] = prob_parm.YX_N2; + molfrac[CO2_ID] = prob_parm.YX_CO2; + molfrac[H2O_ID] = prob_parm.YX_H2O; + eos.X2Y(molfrac, massfrac); + } else { + massfrac[O2_ID] = prob_parm.YX_O2; + massfrac[N2_ID] = prob_parm.YX_N2; + massfrac[CO2_ID] = prob_parm.YX_CO2; + massfrac[H2O_ID] = prob_parm.YX_H2O; + } + eos.PYT2RE(p, massfrac, Tval, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = Tval; + for (int n = 0; n < NUM_SPECIES; n++) { + state(i, j, k, UFS + n) = rho * massfrac[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real* /*x*/, + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int /*idir*/, + const int /*sgn*/, + const amrex::Real /*time*/, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& /*prob_parm*/, + const amrex::GpuArray& /*turb_fluc*/) +{ + // This sets the values at the boundary equal to the + // adjacent interior values + for (int i = 0; i < NVAR; ++i) { + s_ext[i] = s_int[i]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; +#endif diff --git a/Exec/RegTests/Spray-A-Wbreakup/prob.cpp b/Exec/RegTests/Spray-A-Wbreakup/prob.cpp new file mode 100644 index 000000000..c7c4bdced --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/prob.cpp @@ -0,0 +1,50 @@ +#include "prob.H" + +extern "C" { +void +amrex_probinit( + const int* /*init*/, + const int* /*name*/, + const int* /*namelen*/, + const amrex_real* /*problo*/, + const amrex_real* /*probhi*/) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("init_v", PeleC::h_prob_parm_device->v0); + pp.get("ref_p", PeleC::h_prob_parm_device->p0); + pp.get("ref_T", PeleC::h_prob_parm_device->T0); + if (pp.contains("X_N2")) { + pp.query("X_N2", PeleC::h_prob_parm_device->YX_N2); + pp.query("X_O2", PeleC::h_prob_parm_device->YX_O2); + pp.query("X_H2O", PeleC::h_prob_parm_device->YX_H2O); + pp.query("X_CO2", PeleC::h_prob_parm_device->YX_CO2); + PeleC::h_prob_parm_device->mol_fracs = true; + } else { + pp.query("Y_N2", PeleC::h_prob_parm_device->YX_N2); + pp.query("Y_O2", PeleC::h_prob_parm_device->YX_O2); + pp.query("Y_H2O", PeleC::h_prob_parm_device->YX_H2O); + pp.query("Y_CO2", PeleC::h_prob_parm_device->YX_CO2); + } +} +} + +void +pc_prob_close() +{ +} + +void +PeleC::problem_post_timestep() +{ +} + +void +PeleC::problem_post_init() +{ +} + +void +PeleC::problem_post_restart() +{ +} diff --git a/Exec/RegTests/Spray-A-Wbreakup/prob_parm.H b/Exec/RegTests/Spray-A-Wbreakup/prob_parm.H new file mode 100644 index 000000000..b400e13d5 --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/prob_parm.H @@ -0,0 +1,24 @@ +#ifndef PROB_PARM_H +#define PROB_PARM_H + +#include +#include +#include + +struct ProbParmDevice +{ + amrex::Real p0 = 1.013e6; // [erg cm^-3] + amrex::Real T0 = 300.0; + amrex::Real v0 = 0.; + amrex::Real YX_O2 = 0.233; + amrex::Real YX_N2 = 0.767; + amrex::Real YX_H2O = 0.; + amrex::Real YX_CO2 = 0.; + bool mol_fracs = false; +}; + +struct ProbParmHost +{ +}; + +#endif diff --git a/Exec/RegTests/Spray-A-Wbreakup/roi.dat b/Exec/RegTests/Spray-A-Wbreakup/roi.dat new file mode 100644 index 000000000..45b3e759e --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/roi.dat @@ -0,0 +1,3854 @@ +Time [ms];Mass flow rate [g/s] +0;0 +0.0002;0.0338939949989 +0.0004;0.0677859124763 +0.0006;0.101675766942 +0.0008;0.135563572869 +0.0012;0.203333096807 +0.0016;0.271094599315 +0.002;0.338848194798 +0.0024;0.40659399703 +0.0028;0.474332119138 +0.0032;0.542062673598 +0.0036;0.609785772214 +0.004;0.677501526111 +0.0044;0.745210045722 +0.0048;0.812911440776 +0.0052;0.880605820283 +0.0056;0.94829329253 +0.006;1.01597396506 +0.0064;1.08364794467 +0.0068;1.15131533738 +0.0072;1.21897624846 +0.0076;1.28663078238 +0.008;1.3542790428 +0.0084;1.42192113261 +0.0088;1.48955715384 +0.0092;1.55683017298 +0.0096;1.61477247008 +0.01;1.65695641216 +0.0104;1.68805004343 +0.0108;1.71261748109 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+1.5376;0.136758980885 +1.538;0.11396840058 +1.5384;0.0911768479901 +1.5388;0.0683842774153 +1.5392;0.0455906431021 +1.5396;0.0227958992466 +1.54;0 diff --git a/Exec/RegTests/Spray-A-Wbreakup/spray-a-wbreakup.inp b/Exec/RegTests/Spray-A-Wbreakup/spray-a-wbreakup.inp new file mode 100644 index 000000000..308ad335a --- /dev/null +++ b/Exec/RegTests/Spray-A-Wbreakup/spray-a-wbreakup.inp @@ -0,0 +1,119 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000 +stop_time = 0.003 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = -0.6 -0.6 0. +geometry.prob_hi = 0.6 0.6 6. +amr.n_cell = 8 8 40 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +pelec.lo_bc = "FOExtrap" "FOExtrap" "NoSlipWall" +pelec.hi_bc = "FOExtrap" "FOExtrap" "FOExtrap" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 1 +pelec.chem_integrator = "ReactorNull" +pelec.plot_massfrac = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.5 # cfl number for hyperbolic system +pelec.init_shrink = 1. # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp + +# REFINEMENT / REGRIDDING +amr.max_level = 0 + +tagging.refinement_indicators = box +tagging.box.in_box_lo = -0.3 -0.3 0. +tagging.box.in_box_hi = 0.3 0.3 0.3 +# Use adaptive refinement based on temperature gradients +tagging.tempgrad = 40. +amr.regrid_int = 4 4 4 4 4 + +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.blocking_factor = 4 +amr.max_grid_size = 128 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.v = 0 +particles.derive_plot_vars = 1 +particles.mom_transfer = 1 +particles.mass_transfer = 1 + +particles.fuel_ref_temp = 298.15 + +particles.fuel_species = NC12H26 +particles.NC12H26_crit_temp = 658. +particles.NC12H26_boil_temp = 489. +particles.NC12H26_latent = 3.59411E9 +particles.NC12H26_cp = 2.217E7 +particles.NC12H26_lambda = 2059.0484837579133 -2.4391762758823385 9.633688833837596e-06 6.93350414269127e-07 +particles.NC12H26_mu = -0.028611188933370675 39.40765272136905 -18125.486152106896 3021587.187559424 +particles.NC12H26_rho = 1.7799145710513213 -0.006848424883513244 1.5016559178741312e-05 -1.2149370117669905e-08 +particles.NC12H26_psat = 4.265416493004907 1741.1453093807672 -80.90351868881419 1000000.0 +particles.fuel_sigma = 15. + +# CHECKPOINT FILES +#amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 1000 + +# PLOTFILES +#amr.plot_files_output = 0 +amr.plot_file = plt # root name of plotfile +amr.plot_per = 2.5E-4 +amr.derive_plot_vars = x_velocity y_velocity z_velocity pressure # these variables appear in the plotfile +amr.file_name_digits = 6 + +# PROBLEM +# Initial fluid properties +prob.ref_T = 900. +prob.ref_p = 6.E7 +prob.init_v = 0. +prob.X_N2 = 0.8971 +prob.X_O2 = 0. +prob.X_H2O = 0.0377 +prob.X_CO2 = 0.0652 + +# # Properties of injected particles +spray.jet1.do_inject = 0 +# spray.jet1.T = 363. +# spray.jet1.jet_dia = 9.E-3 +# spray.jet1.jet_cent = 0. 0. 0. +# spray.jet1.jet_norm = 0. 0. 1. +# spray.jet1.dist_type = Uniform +# spray.jet1.diameter = 89.E-4 +# spray.jet1.inject_ppp = 0.1 +# spray.jet1.spread_angle = 20. +# spray.jet1.roi_file = roi.dat +# spray.jet1.discharge_coeff = 0.89 + +particles.use_splash_model = false +particles.use_breakup_model = KHRT +particles.KHRT_B0 = 0.61 +particles.KHRT_B1 = 7.3 +particles.KHRT_C3 = 5.3 +particles.breakup_parcel_factor = 0.5 +particles.init_file = "initspraydata.dat" + +amrex.abort_on_out_of_gpu_memory = 1 diff --git a/Exec/RegTests/Spray-Conv/Spray-Conv.inp b/Exec/RegTests/Spray-Conv/Spray-Conv.inp index ee814ea9a..31456bb11 100644 --- a/Exec/RegTests/Spray-Conv/Spray-Conv.inp +++ b/Exec/RegTests/Spray-Conv/Spray-Conv.inp @@ -76,8 +76,6 @@ particles.NC10H22_rho = 0.640 # Last coefficient converts units, in this case bar, to dyne/cm^2 particles.NC10H22_psat = 4.07857 1501.268 -78.67 1.E6 -particles.parcel_size = 100. - particles.use_splash_model = false # CHECKPOINT FILES diff --git a/Exec/RegTests/Spray-EB/CMakeLists.txt b/Exec/RegTests/Spray-EB/CMakeLists.txt new file mode 100644 index 000000000..02dfa923b --- /dev/null +++ b/Exec/RegTests/Spray-EB/CMakeLists.txt @@ -0,0 +1,6 @@ +set(PELEC_ENABLE_AMREX_PARTICLES ON) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL heptane_3sp) +set(PELEC_TRANSPORT_MODEL Simple) +set(PELE_SPRAY_FUEL_NUM 1) +include(BuildExeAndLib) diff --git a/Exec/RegTests/Spray-EB/GNUmakefile b/Exec/RegTests/Spray-EB/GNUmakefile new file mode 100644 index 000000000..8bd375757 --- /dev/null +++ b/Exec/RegTests/Spray-EB/GNUmakefile @@ -0,0 +1,42 @@ +# AMReX +DIM = 3 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_SYCL = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +PELE_CVODE_FORCE_YCORDER = FALSE +PELE_USE_MAGMA = FALSE +PELE_COMPILE_AJACOBIAN = FALSE +Eos_Model := Fuego +Chemistry_Model := heptane_3sp +Transport_Model := Simple + +# Spray +USE_PARTICLES = TRUE +SPRAY_FUEL_NUM = 1 + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/Exec/Make.PeleC diff --git a/Exec/RegTests/Spray-EB/Make.package b/Exec/RegTests/Spray-EB/Make.package new file mode 100644 index 000000000..1080bc23d --- /dev/null +++ b/Exec/RegTests/Spray-EB/Make.package @@ -0,0 +1,3 @@ +CEXE_sources += prob.cpp +CEXE_headers += prob.H +CEXE_headers += prob_parm.H diff --git a/Exec/RegTests/Spray-EB/SprayParticlesInitInsert.cpp b/Exec/RegTests/Spray-EB/SprayParticlesInitInsert.cpp new file mode 100644 index 000000000..d948f4021 --- /dev/null +++ b/Exec/RegTests/Spray-EB/SprayParticlesInitInsert.cpp @@ -0,0 +1,46 @@ + +#include "SprayParticles.H" +#include "SprayInjection.H" +#include "prob.H" + +bool +SprayParticleContainer::injectParticles( + amrex::Real time, + amrex::Real dt, + int /*nstep*/, + int lev, + int /*finest_level*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + if (lev != 0) { + return false; + } + + bool do_inject = false; + amrex::ParmParse ps("spray.jet1"); + ps.query("do_inject", do_inject); + if (do_inject) { + SprayJet* js = m_sprayJets[0].get(); + sprayInjection(time, js, dt, lev); + } + + // Redistribute is done outside of this function + return true; +} + +void +SprayParticleContainer::InitSprayParticles( + const bool /*init_parts*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + std::string jet_name = "jet1"; + bool do_inject = false; + amrex::ParmParse ps("spray.jet1"); + ps.query("do_inject", do_inject); + if (do_inject) { + m_sprayJets.push_back(std::make_unique(jet_name, Geom(0))); + } + return; +} diff --git a/Exec/RegTests/Spray-EB/example.inp b/Exec/RegTests/Spray-EB/example.inp new file mode 100644 index 000000000..04f6d8bc7 --- /dev/null +++ b/Exec/RegTests/Spray-EB/example.inp @@ -0,0 +1,124 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 100000 +stop_time = 0.000273365690540257 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0. 0. 0. +geometry.prob_hi = 10. 10. 10. +amr.n_cell = 64 64 64 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# pelec.lo_bc = "FOExtrap" "NoSlipWall" "Interior" +# pelec.hi_bc = "FOExtrap" "FOExtrap" "Interior" +pelec.lo_bc = "NoSlipWall" "NoSlipWall" "Interior" +pelec.hi_bc = "NoSlipWall" "NoSlipWall" "Interior" + +amrex.fpe_trap_invalid = 1 +amrex.fpe_trap_zero = 1 +amrex.fpe_trap_overflow = 1 + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 1 +pelec.do_mol = 1 +pelec.cfl = 0.3 + +# TIME STEP CONTROL +pelec.init_shrink = 1. # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +#pelec.fixed_dt = 1.e-5 + +# EB +#eb2.geom_type = all_regular +eb2.geom_type = plane +# Set plane that is 50 deg from bottom +eb2.plane_point = 8.830222 1.786062 0. +eb2.plane_normal = 0.7660444 -0.6427876 0. + +pelec.eb_boundary_T = 1500. +pelec.eb_isothermal = 1 +ebd.boundary_grad_stencil_type = 0 +pelec.redistribution_type = "StateRedist" + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +#amr.data_log = datlog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 32 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.v = 0 +particles.mom_transfer = 1 +particles.mass_transfer = 1 +particles.init_file = "initspraydata_3d.dat" +particles.write_ascii_files = 1 + +particles.fuel_ref_temp = 300. + +particles.fuel_species = NC7H16 + +# properties for heptane +particles.NC7H16_crit_temp = 540. +particles.NC7H16_boil_temp = 371.6 +particles.NC7H16_latent = 3.63E9 +particles.NC7H16_cp = 2.2483E7 +particles.NC7H16_rho = 0.693 +# Coefficients for saturation pressure using Antoine equation +# These are from the NIST website +# Last coefficient converts units, in this case bar, to dyne/cm^2 +particles.NC7H16_psat = 4.02832 1268.636 -56.199 1.E6 + +particles.use_splash_model = false + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = -1 # number of timesteps between checkpoints +#amr.restart = chk0000100 + +# PLOTFILES +amr.plot_file = plt +amr.plot_int = 77 +#amr.plot_per = 1.6E-4 +amr.plot_vars = density Temp rho_E xmom ymom zmom eden rho_O2 rho_N2 rho_NC10H22 +amr.derive_plot_vars = Mach x_velocity y_velocity pressure vfrac z_velocity +#amr.derive_plot_vars = ALL +amr.file_name_digits = 6 + +prob.init_T = 1500. +prob.init_p = 1.01325E7 +prob.init_v = 0. + + +spray.jet1.do_inject = 0 +# spray.jet1.T = 363.0 +# spray.jet1.jet_cent = 5. 0. 5. +# spray.jet1.jet_norm = 0. 1. 0. +# spray.jet1.part_temp = 363. +# spray.jet1.jet_dia = 9.E-3 +# spray.jet1.spread_angle = 20. +# spray.jet1.dist_type = Uniform +# spray.jet1.diameter = 4.5E-4 +# spray.jet1.jet_vel = 60000. +# spray.jet1.jet_start = 10000. +# spray.jet1.jet_end = -100. +# spray.jet1.mass_flow_rate = 1.55 diff --git a/Exec/RegTests/Spray-EB/initspraydata_3d.dat b/Exec/RegTests/Spray-EB/initspraydata_3d.dat new file mode 100644 index 000000000..8aae06139 --- /dev/null +++ b/Exec/RegTests/Spray-EB/initspraydata_3d.dat @@ -0,0 +1,6 @@ +5 +8.82637243776 1.78466074703 0.625 3089.70933714 1124.56223125 0. 300.0 0.004 1. 1. 1. 0. 0. 0. +8.82618760792 1.78677336176 0.625 3238.0478919 -570.955208169 0. 300.0 0.004 1. 1. 1. 0. 0. 0. +8.82637243776 1.78466074703 0.625 3089.70933714 1124.56223125 0. 300.0 0.004 1. 1. 1. 0. 0. 0. +8.82637243776 1.78466074703 0.625 3089.70933714 1124.56223125 0. 300.0 0.004 1. 1. 1. 0. 0. 0. +4.99645202556 0.002048424 0.625 2847.49152764 -1644.0 0. 300.0 0.001 1. 1. 1. 0. 0. 0. diff --git a/Exec/RegTests/Spray-EB/prob.H b/Exec/RegTests/Spray-EB/prob.H new file mode 100644 index 000000000..4d8a8e230 --- /dev/null +++ b/Exec/RegTests/Spray-EB/prob.H @@ -0,0 +1,105 @@ +#ifndef PROB_H +#define PROB_H + +#include +#include +#include +#include + +#include "mechanism.H" + +#include "IndexDefines.H" +#include "Constants.H" +#include "PelePhysics.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& prob_parm) +{ + + // Geometry + auto eos = pele::physics::PhysicsType::eos(); + + // TG functions + amrex::GpuArray u = {{0.0}}; + u[0] = prob_parm.v0; + const amrex::Real p = prob_parm.p0; + amrex::Real rho, eint; + amrex::GpuArray massfrac = {{0.0}}; + massfrac[O2_ID] = prob_parm.Y_O2; + massfrac[N2_ID] = prob_parm.Y_N2; + amrex::Real Tval = prob_parm.T0; + eos.PYT2RE(p, massfrac.data(), Tval, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = Tval; + for (int n = 0; n < NUM_SPECIES; n++) { + state(i, j, k, UFS + n) = rho * massfrac[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real* /*x*/, + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int /*idir*/, + const int /*sgn*/, + const amrex::Real /*time*/, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& /*prob_parm*/, + const amrex::GpuArray& /*turb_fluc*/) +{ + // This sets the values at the boundary equal to the + // adjacent interior values + for (int i = 0; i < NVAR; ++i) { + s_ext[i] = s_int[i]; + } +} + +struct MyProbTagStruct +{ + AMREX_GPU_DEVICE + AMREX_FORCE_INLINE + static void set_problem_tags( + const int /*i*/, + const int /*j*/, + const int /*k*/, + amrex::Array4 const& /*tag*/, + amrex::Array4 const& /*field*/, + char /*tagval*/, + const amrex::GpuArray /*dx*/, + const amrex::GpuArray /*prob_lo*/, + const amrex::Real /*time*/, + const int /*level*/) noexcept + { + // could do problem specific tagging here + } +}; + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/Exec/RegTests/Spray-EB/prob.cpp b/Exec/RegTests/Spray-EB/prob.cpp new file mode 100644 index 000000000..2b9b4cb42 --- /dev/null +++ b/Exec/RegTests/Spray-EB/prob.cpp @@ -0,0 +1,54 @@ +#include "prob.H" + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* /*init*/, + const int* /*name*/, + const int* /*namelen*/, + const amrex_real* /*problo*/, + const amrex_real* /*probhi*/) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("init_v", PeleC::h_prob_parm_device->v0); + pp.query("init_p", PeleC::h_prob_parm_device->p0); + pp.query("init_T", PeleC::h_prob_parm_device->T0); + pp.query("init_N2", PeleC::h_prob_parm_device->Y_N2); + pp.query("init_O2", PeleC::h_prob_parm_device->Y_O2); + + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[N2_ID] = PeleC::h_prob_parm_device->Y_N2; + massfrac[O2_ID] = PeleC::h_prob_parm_device->Y_O2; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE( + PeleC::h_prob_parm_device->p0, massfrac, PeleC::h_prob_parm_device->T0, + PeleC::h_prob_parm_device->rho0, eint); + eos.RTY2Cs( + PeleC::h_prob_parm_device->rho0, PeleC::h_prob_parm_device->T0, massfrac, + cs); + eos.TY2Cp(PeleC::h_prob_parm_device->T0, massfrac, cp); +} +} + +void +PeleC::problem_post_timestep() +{ +} + +void +PeleC::problem_post_init() +{ +} + +void +PeleC::problem_post_restart() +{ +} diff --git a/Exec/RegTests/Spray-EB/prob_parm.H b/Exec/RegTests/Spray-EB/prob_parm.H new file mode 100644 index 000000000..6168e59ca --- /dev/null +++ b/Exec/RegTests/Spray-EB/prob_parm.H @@ -0,0 +1,21 @@ +#ifndef PROB_PARM_H +#define PROB_PARM_H + +#include +#include + +struct ProbParmDevice +{ + amrex::Real p0 = 1.013e6; // [erg cm^-3] + amrex::Real T0 = 300.0; + amrex::Real rho0 = 0.0; + amrex::Real v0 = 0.0; + amrex::Real Y_O2 = 0.233; + amrex::Real Y_N2 = 0.767; +}; + +struct ProbParmHost +{ +}; + +#endif diff --git a/Exec/RegTests/Spray-EB/spray-eb.inp b/Exec/RegTests/Spray-EB/spray-eb.inp new file mode 100644 index 000000000..04f6d8bc7 --- /dev/null +++ b/Exec/RegTests/Spray-EB/spray-eb.inp @@ -0,0 +1,124 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 100000 +stop_time = 0.000273365690540257 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0. 0. 0. +geometry.prob_hi = 10. 10. 10. +amr.n_cell = 64 64 64 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# pelec.lo_bc = "FOExtrap" "NoSlipWall" "Interior" +# pelec.hi_bc = "FOExtrap" "FOExtrap" "Interior" +pelec.lo_bc = "NoSlipWall" "NoSlipWall" "Interior" +pelec.hi_bc = "NoSlipWall" "NoSlipWall" "Interior" + +amrex.fpe_trap_invalid = 1 +amrex.fpe_trap_zero = 1 +amrex.fpe_trap_overflow = 1 + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 1 +pelec.do_mol = 1 +pelec.cfl = 0.3 + +# TIME STEP CONTROL +pelec.init_shrink = 1. # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +#pelec.fixed_dt = 1.e-5 + +# EB +#eb2.geom_type = all_regular +eb2.geom_type = plane +# Set plane that is 50 deg from bottom +eb2.plane_point = 8.830222 1.786062 0. +eb2.plane_normal = 0.7660444 -0.6427876 0. + +pelec.eb_boundary_T = 1500. +pelec.eb_isothermal = 1 +ebd.boundary_grad_stencil_type = 0 +pelec.redistribution_type = "StateRedist" + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +#amr.data_log = datlog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 8 # block factor in grid generation +amr.max_grid_size = 32 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.v = 0 +particles.mom_transfer = 1 +particles.mass_transfer = 1 +particles.init_file = "initspraydata_3d.dat" +particles.write_ascii_files = 1 + +particles.fuel_ref_temp = 300. + +particles.fuel_species = NC7H16 + +# properties for heptane +particles.NC7H16_crit_temp = 540. +particles.NC7H16_boil_temp = 371.6 +particles.NC7H16_latent = 3.63E9 +particles.NC7H16_cp = 2.2483E7 +particles.NC7H16_rho = 0.693 +# Coefficients for saturation pressure using Antoine equation +# These are from the NIST website +# Last coefficient converts units, in this case bar, to dyne/cm^2 +particles.NC7H16_psat = 4.02832 1268.636 -56.199 1.E6 + +particles.use_splash_model = false + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = -1 # number of timesteps between checkpoints +#amr.restart = chk0000100 + +# PLOTFILES +amr.plot_file = plt +amr.plot_int = 77 +#amr.plot_per = 1.6E-4 +amr.plot_vars = density Temp rho_E xmom ymom zmom eden rho_O2 rho_N2 rho_NC10H22 +amr.derive_plot_vars = Mach x_velocity y_velocity pressure vfrac z_velocity +#amr.derive_plot_vars = ALL +amr.file_name_digits = 6 + +prob.init_T = 1500. +prob.init_p = 1.01325E7 +prob.init_v = 0. + + +spray.jet1.do_inject = 0 +# spray.jet1.T = 363.0 +# spray.jet1.jet_cent = 5. 0. 5. +# spray.jet1.jet_norm = 0. 1. 0. +# spray.jet1.part_temp = 363. +# spray.jet1.jet_dia = 9.E-3 +# spray.jet1.spread_angle = 20. +# spray.jet1.dist_type = Uniform +# spray.jet1.diameter = 4.5E-4 +# spray.jet1.jet_vel = 60000. +# spray.jet1.jet_start = 10000. +# spray.jet1.jet_end = -100. +# spray.jet1.mass_flow_rate = 1.55 diff --git a/Exec/RegTests/Spray-Evaporation/CMakeLists.txt b/Exec/RegTests/Spray-Evaporation/CMakeLists.txt new file mode 100644 index 000000000..02dfa923b --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/CMakeLists.txt @@ -0,0 +1,6 @@ +set(PELEC_ENABLE_AMREX_PARTICLES ON) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL heptane_3sp) +set(PELEC_TRANSPORT_MODEL Simple) +set(PELE_SPRAY_FUEL_NUM 1) +include(BuildExeAndLib) diff --git a/Exec/RegTests/Spray-Evaporation/GNUmakefile b/Exec/RegTests/Spray-Evaporation/GNUmakefile new file mode 100644 index 000000000..5af45e961 --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/GNUmakefile @@ -0,0 +1,42 @@ +# AMReX +DIM = 2 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_SYCL = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +PELE_CVODE_FORCE_YCORDER = FALSE +PELE_USE_MAGMA = FALSE +PELE_COMPILE_AJACOBIAN = FALSE +Eos_Model := Fuego +Chemistry_Model := heptane_3sp +Transport_Model := Simple + +# Spray +USE_PARTICLES = TRUE +SPRAY_FUEL_NUM = 1 + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/Exec/Make.PeleC diff --git a/Exec/RegTests/Spray-Evaporation/Make.package b/Exec/RegTests/Spray-Evaporation/Make.package new file mode 100644 index 000000000..1080bc23d --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/Make.package @@ -0,0 +1,3 @@ +CEXE_sources += prob.cpp +CEXE_headers += prob.H +CEXE_headers += prob_parm.H diff --git a/Exec/RegTests/Spray-Evaporation/SprayParticlesInitInsert.cpp b/Exec/RegTests/Spray-Evaporation/SprayParticlesInitInsert.cpp new file mode 100644 index 000000000..fc371b730 --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/SprayParticlesInitInsert.cpp @@ -0,0 +1,26 @@ + +#include +#include +#include +#include "prob.H" + +bool +SprayParticleContainer::injectParticles( + amrex::Real /*time*/, + amrex::Real /*dt*/, + int /*nstep*/, + int /*lev*/, + int /*finest_level*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + return false; +} + +void +SprayParticleContainer::InitSprayParticles( + const bool /*init_parts*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ +} diff --git a/Exec/RegTests/Spray-Evaporation/example.inp b/Exec/RegTests/Spray-Evaporation/example.inp new file mode 100644 index 000000000..19d4e32ca --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/example.inp @@ -0,0 +1,96 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 5000000 +stop_time = 700 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0. 0. +geometry.prob_hi = 50. 50. +# use with single level +amr.n_cell = 32 32 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# 0 = Interior 3 = Symmetry +# 1 = Inflow 4 = SlipWall +# 2 = Outflow 5 = NoSlipWall +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +pelec.lo_bc = "Hard" "Interior" +pelec.hi_bc = "Hard" "Interior" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.chem_integrator = "ReactorNull" +pelec.allow_negative_energy = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.8 # cfl number for hyperbolic system +pelec.init_shrink = 0.3 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +#pelec.fixed_dt = 1.e-5 + + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +#amr.data_log = datlog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 4 # block factor in grid generation +amr.max_grid_size = 32 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.derive_plot_vars = 1 +particles.fixed_parts = 1 +particles.mom_transfer = 1 +particles.mass_transfer = 1 +particles.init_file = "initsprayfile.dat" +particles.write_ascii_files = 1 + +particles.fuel_ref_temp = 300. + +particles.fuel_species = NC7H16 +# properties for decane +particles.NC7H16_crit_temp = 540. # K +particles.NC7H16_boil_temp = 371.6 # K +particles.NC7H16_ref_temp = 300. +particles.NC7H16_latent = 3.63E9 # Latent enthalpy at 298 K +particles.NC7H16_cp = 2.2483E7 # @ 298 K +particles.NC7H16_rho = 0.6814 +# Coefficients for saturation pressure using Antoine equation +# These are from the NIST website +# Last coefficient converts units, in this case bar, to dyne/cm^2 +particles.NC7H16_psat = 4.02832 1268.636 -56.199 1.E6 + +particles.use_splash_model = false + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 5000 # number of timesteps between checkpoints +#amr.restart = chk0000100 + +# PLOTFILES +amr.plot_file = plt # root name of plotfile +amr.plot_per = 0.1 +amr.plot_vars = density Temp rho_E xmom ymom eden rho_O2 rho_N2 rho_NC7H16 +amr.derive_plot_vars = x_velocity y_velocity pressure # these variables appear in the plotfile +amr.file_name_digits = 7 + +# Problem specific inputs +prob.init_T = 273. +prob.init_p = 1.01325E6 +prob.init_v = -250. diff --git a/Exec/RegTests/Spray-Evaporation/initsprayfile.dat b/Exec/RegTests/Spray-Evaporation/initsprayfile.dat new file mode 100644 index 000000000..84a4d22fd --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/initsprayfile.dat @@ -0,0 +1,2 @@ +1 +25. 25. 0. 0. 272. 0.057 1. 0. 0. 0. 1. 1. 0. 0. 0. diff --git a/Exec/RegTests/Spray-Evaporation/prob.H b/Exec/RegTests/Spray-Evaporation/prob.H new file mode 100644 index 000000000..70d76d982 --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/prob.H @@ -0,0 +1,82 @@ +#ifndef PROB_H +#define PROB_H + +#include +#include +#include +#include + +#include "mechanism.H" + +#include "IndexDefines.H" +#include "Constants.H" +#include "PelePhysics.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& prob_parm) +{ + + // TG functions + amrex::Real u[3] = {0.0}; + u[0] = prob_parm.v0; + const amrex::Real p = prob_parm.p0; + amrex::Real rho, eint; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[O2_ID] = prob_parm.Y_O2; + massfrac[N2_ID] = prob_parm.Y_N2; + amrex::Real Tval = prob_parm.T0; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE(p, massfrac, Tval, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = Tval; + for (int n = 0; n < NUM_SPECIES; n++) { + state(i, j, k, UFS + n) = rho * massfrac[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real* /*x*/, + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int /*idir*/, + const int /*sgn*/, + const amrex::Real /*time*/, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& /*prob_parm*/, + const amrex::GpuArray& /*turb_fluc*/) +{ + // This sets the values at the boundary equal to the + // adjacent interior values + for (int i = 0; i < NVAR; ++i) { + s_ext[i] = s_int[i]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; +#endif diff --git a/Exec/RegTests/Spray-Evaporation/prob.cpp b/Exec/RegTests/Spray-Evaporation/prob.cpp new file mode 100644 index 000000000..7554675bb --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/prob.cpp @@ -0,0 +1,54 @@ +#include "prob.H" + +extern "C" { +void +amrex_probinit( + const int* /*init*/, + const int* /*name*/, + const int* /*namelen*/, + const amrex_real* /*problo*/, + const amrex_real* /*probhi*/) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("init_v", PeleC::h_prob_parm_device->v0); + pp.query("init_p", PeleC::h_prob_parm_device->p0); + pp.query("init_T", PeleC::h_prob_parm_device->T0); + pp.query("init_N2", PeleC::h_prob_parm_device->Y_N2); + pp.query("init_O2", PeleC::h_prob_parm_device->Y_O2); + + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[N2_ID] = PeleC::h_prob_parm_device->Y_N2; + massfrac[O2_ID] = PeleC::h_prob_parm_device->Y_O2; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE( + PeleC::h_prob_parm_device->p0, massfrac, PeleC::h_prob_parm_device->T0, + PeleC::h_prob_parm_device->rho0, eint); + eos.RTY2Cs( + PeleC::h_prob_parm_device->rho0, PeleC::h_prob_parm_device->T0, massfrac, + cs); + eos.TY2Cp(PeleC::h_prob_parm_device->T0, massfrac, cp); +} +} + +void +pc_prob_close() +{ +} + +void +PeleC::problem_post_timestep() +{ +} + +void +PeleC::problem_post_init() +{ +} + +void +PeleC::problem_post_restart() +{ +} diff --git a/Exec/RegTests/Spray-Evaporation/prob_parm.H b/Exec/RegTests/Spray-Evaporation/prob_parm.H new file mode 100644 index 000000000..e9c42f40e --- /dev/null +++ b/Exec/RegTests/Spray-Evaporation/prob_parm.H @@ -0,0 +1,21 @@ +#ifndef PROB_PARM_H +#define PROB_PARM_H + +#include +#include + +struct ProbParmDevice +{ + amrex::Real p0 = 1.013e6; // [erg cm^-3] + amrex::Real T0 = 300.0; + amrex::Real rho0 = 0.0; + amrex::Real v0 = 0.0; + amrex::Real Y_O2 = 0.233; + amrex::Real Y_N2 = 0.767; +}; + +struct ProbParmHost +{ +}; + +#endif diff --git a/Exec/RegTests/Spray-Jet/CMakeLists.txt b/Exec/RegTests/Spray-Jet/CMakeLists.txt new file mode 100644 index 000000000..d96004361 --- /dev/null +++ b/Exec/RegTests/Spray-Jet/CMakeLists.txt @@ -0,0 +1,6 @@ +set(PELEC_ENABLE_AMREX_PARTICLES ON) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL decane_3sp) +set(PELEC_TRANSPORT_MODEL Simple) +set(PELE_SPRAY_FUEL_NUM 1) +include(BuildExeAndLib) diff --git a/Exec/RegTests/Spray-Jet/GNUmakefile b/Exec/RegTests/Spray-Jet/GNUmakefile new file mode 100644 index 000000000..a0d614725 --- /dev/null +++ b/Exec/RegTests/Spray-Jet/GNUmakefile @@ -0,0 +1,42 @@ +# AMReX +DIM = 2 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_SYCL = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +PELE_CVODE_FORCE_YCORDER = FALSE +PELE_USE_MAGMA = FALSE +PELE_COMPILE_AJACOBIAN = FALSE +Eos_Model := Fuego +Chemistry_Model := decane_3sp +Transport_Model := Simple + +# Spray +USE_PARTICLES = TRUE +SPRAY_FUEL_NUM = 1 + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/Exec/Make.PeleC diff --git a/Exec/RegTests/Spray-Jet/Make.package b/Exec/RegTests/Spray-Jet/Make.package new file mode 100644 index 000000000..1080bc23d --- /dev/null +++ b/Exec/RegTests/Spray-Jet/Make.package @@ -0,0 +1,3 @@ +CEXE_sources += prob.cpp +CEXE_headers += prob.H +CEXE_headers += prob_parm.H diff --git a/Exec/RegTests/Spray-Jet/SprayParticlesInitInsert.cpp b/Exec/RegTests/Spray-Jet/SprayParticlesInitInsert.cpp new file mode 100644 index 000000000..04d3d8ec5 --- /dev/null +++ b/Exec/RegTests/Spray-Jet/SprayParticlesInitInsert.cpp @@ -0,0 +1,40 @@ + +#include "SprayParticles.H" +#include "SprayInjection.H" +#include "prob.H" + +bool +SprayParticleContainer::injectParticles( + amrex::Real time, + amrex::Real dt, + int /*nstep*/, + int lev, + int /*finest_level*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + if (lev != 0) { + return false; + } + SprayJet* js = m_sprayJets[0].get(); + if (!js->jet_active(time)) { + return false; + } + + sprayInjection(time, js, dt, lev); + + // Redistribute is done outside of this function + return true; +} + +void +SprayParticleContainer::InitSprayParticles( + const bool /*init_parts*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + m_sprayJets.resize(1); + std::string jet_name = "jet1"; + m_sprayJets[0] = std::make_unique(jet_name, Geom(0)); + return; +} diff --git a/Exec/RegTests/Spray-Jet/example.inp b/Exec/RegTests/Spray-Jet/example.inp new file mode 100644 index 000000000..db423ffbc --- /dev/null +++ b/Exec/RegTests/Spray-Jet/example.inp @@ -0,0 +1,122 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 5000 +stop_time = 0.0038 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 0 0 0 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = -0.6 0. -0.6 +geometry.prob_hi = 0.6 8.4 0.6 +amr.n_cell = 32 224 32 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +pelec.lo_bc = "FOExtrap" "NoSlipWall" "FOExtrap" +pelec.hi_bc = "FOExtrap" "FOExtrap" "FOExtrap" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 1 +pelec.chem_integrator = "ReactorNull" + +# TIME STEP CONTROL +pelec.cfl = 0.8 # cfl number for hyperbolic system +pelec.init_shrink = 1. # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +#amr.data_log = datlog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 2 # maximum level number allowed + +# Use fixed refinement base on an initial grid file +#amr.initial_grid_file = gridfile +#amr.regrid_int = -1 -1 -1 # how often to regrid + +# Use adaptive refinement based on temperature gradients +tagging.tempgrad = 1.3 +# Use adaptive refinement based on velocity gradients +#tagging.velgrad = 40. +amr.regrid_int = 4 8 8 + +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.blocking_factor = 16 # block factor in grid generation +amr.max_grid_size = 32 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.v = 0 +particles.derive_plot_vars = 1 +particles.mom_transfer = 1 +particles.mass_transfer = 1 +particles.write_ascii_files = 0 + +particles.fuel_ref_temp = 298.15 + +particles.fuel_species = NC10H22 +# properties for decane +particles.NC10H22_crit_temp = 617.8 # K +particles.NC10H22_boil_temp = 447.27 # K +particles.NC10H22_latent = 3.5899E9 +particles.NC10H22_cp = 2.1921E7 # Cp at 298 K +particles.NC10H22_rho = 0.640 + +# Coefficients for saturation pressure using Antoine equation +# These are from the NIST website +# Last coefficient converts units, in this case bar, to dyne/cm^2 +particles.NC10H22_psat = 4.07857 1501.268 -78.67 1.E6 + +# particles.wall_temp = 430. +particles.use_splash_model = false + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = -1 # number of timesteps between checkpoints + +# PLOTFILES +#amr.plot_files_output = 0 +amr.plot_file = plt # root name of plotfile +amr.plot_per = 1.E-4 # number of timesteps between plotfiles +amr.plot_vars = density Temp rho_E xmom ymom zmom rho_O2 rho_N2 rho_NC10H22 +amr.derive_plot_vars = x_velocity y_velocity z_velocity pressure # these variables appear in the plotfile +amr.file_name_digits = 6 + +# PROBLEM +# Initial fluid properties +prob.ref_T = 440. +prob.ref_p = 6.E7 +prob.init_v = 0. +prob.init_N2 = 1. +prob.init_O2 = 0. + +# Properties of injected particles +spray.jet1.T = 363. +spray.jet1.dist_type = Uniform +spray.jet1.diameter = 4.5E-4 +spray.jet1.jet_dia = 9.E-3 +spray.jet1.spread_angle = 21. +spray.jet1.jet_cent = 0. 0. 0. +spray.jet1.jet_norm = 0. 1. 0. + +# These are necessary if an injection reference file is not set +# spray.jet1.jet_vel = 6.E4 +# spray.jet1.mass_flow_rate = 2.3 + +# ROI file can be generated at +# https://www.cmt.upv.es/#/ecn/download/InjectionRateGenerator/InjectionRateGenerator +spray.jet1.roi_file = roi.dat +spray.jet1.discharge_coeff = 0.89 diff --git a/Exec/RegTests/Spray-Jet/gridfile b/Exec/RegTests/Spray-Jet/gridfile new file mode 100644 index 000000000..cce3ea288 --- /dev/null +++ b/Exec/RegTests/Spray-Jet/gridfile @@ -0,0 +1,5 @@ +2 +1 +((0,0,0) (31,31,31) (0,0,0)) +1 +((16,0,0) (47,31,31) (0,0,0)) diff --git a/Exec/RegTests/Spray-Jet/prob.H b/Exec/RegTests/Spray-Jet/prob.H new file mode 100644 index 000000000..7cfa2b02e --- /dev/null +++ b/Exec/RegTests/Spray-Jet/prob.H @@ -0,0 +1,80 @@ +#ifndef PROB_H +#define PROB_H + +#include +#include +#include +#include + +#include "mechanism.H" + +#include "IndexDefines.H" +#include "Constants.H" +#include "PelePhysics.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& prob_parm) +{ + + amrex::Real u[3] = {0.0}; + u[1] = prob_parm.v0; + const amrex::Real p = prob_parm.p0; + amrex::Real rho, eint; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[O2_ID] = prob_parm.Y_O2; + massfrac[N2_ID] = prob_parm.Y_N2; + amrex::Real Tval = prob_parm.T0; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE(p, massfrac, Tval, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = Tval; + for (int n = 0; n < NUM_SPECIES; n++) { + state(i, j, k, UFS + n) = rho * massfrac[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real* /*x*/, + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int /*idir*/, + const int /*sgn*/, + const amrex::Real /*time*/, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& /*prob_parm*/, + const amrex::GpuArray& /*turb_fluc*/) +{ + // This sets the values at the boundary equal to the + // adjacent interior values + for (int i = 0; i < NVAR; ++i) { + s_ext[i] = s_int[i]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; +#endif diff --git a/Exec/RegTests/Spray-Jet/prob.cpp b/Exec/RegTests/Spray-Jet/prob.cpp new file mode 100644 index 000000000..53b212279 --- /dev/null +++ b/Exec/RegTests/Spray-Jet/prob.cpp @@ -0,0 +1,54 @@ +#include "prob.H" + +extern "C" { +void +amrex_probinit( + const int* /*init*/, + const int* /*name*/, + const int* /*namelen*/, + const amrex_real* /*problo*/, + const amrex_real* /*probhi*/) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("init_v", PeleC::h_prob_parm_device->v0); + pp.get("ref_p", PeleC::h_prob_parm_device->p0); + pp.get("ref_T", PeleC::h_prob_parm_device->T0); + pp.query("init_N2", PeleC::h_prob_parm_device->Y_N2); + pp.query("init_O2", PeleC::h_prob_parm_device->Y_O2); + + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[N2_ID] = PeleC::h_prob_parm_device->Y_N2; + massfrac[O2_ID] = PeleC::h_prob_parm_device->Y_O2; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE( + PeleC::h_prob_parm_device->p0, massfrac, PeleC::h_prob_parm_device->T0, + PeleC::h_prob_parm_device->rho0, eint); + eos.RTY2Cs( + PeleC::h_prob_parm_device->rho0, PeleC::h_prob_parm_device->T0, massfrac, + cs); + eos.TY2Cp(PeleC::h_prob_parm_device->T0, massfrac, cp); +} +} + +void +pc_prob_close() +{ +} + +void +PeleC::problem_post_timestep() +{ +} + +void +PeleC::problem_post_init() +{ +} + +void +PeleC::problem_post_restart() +{ +} diff --git a/Exec/RegTests/Spray-Jet/prob_parm.H b/Exec/RegTests/Spray-Jet/prob_parm.H new file mode 100644 index 000000000..007223910 --- /dev/null +++ b/Exec/RegTests/Spray-Jet/prob_parm.H @@ -0,0 +1,22 @@ +#ifndef PROB_PARM_H +#define PROB_PARM_H + +#include +#include +#include + +struct ProbParmDevice +{ + amrex::Real p0 = 1.013e6; // [erg cm^-3] + amrex::Real T0 = 300.0; + amrex::Real rho0 = 0.0; + amrex::Real v0 = 0.; + amrex::Real Y_O2 = 0.233; + amrex::Real Y_N2 = 0.767; +}; + +struct ProbParmHost +{ +}; + +#endif diff --git a/Exec/RegTests/Spray-Jet/roi.dat b/Exec/RegTests/Spray-Jet/roi.dat new file mode 100644 index 000000000..f27c7a9d8 --- /dev/null +++ b/Exec/RegTests/Spray-Jet/roi.dat @@ -0,0 +1,7503 @@ +Time [ms];Mass flow rate [g/s] +0;0 +0.0002;0.0347524874403 +0.0004;0.0695029743774 +0.0006;0.104251475817 +0.0008;0.138998006723 +0.001;0.173742582019 +0.0012;0.208485216583 +0.0014;0.243225925254 +0.0016;0.277964722827 +0.0018;0.312701624052 +0.002;0.347436643636 +0.0022;0.382169796244 +0.0024;0.416901096494 +0.0026;0.451630558959 +0.0028;0.486358198167 +0.003;0.521084028601 +0.0032;0.555808064697 +0.0034;0.590530320846 +0.0036;0.625250811389 +0.0038;0.659969550622 +0.004;0.694686552794 +0.0042;0.729401832103 +0.0044;0.764115402701 +0.0046;0.79882727869 +0.0048;0.833537474124 +0.005;0.868246003005 +0.0052;0.902952879288 +0.0054;0.937658116875 +0.0056;0.972361729619 +0.0058;1.00706373132 +0.006;1.04176413573 +0.0062;1.07646295655 +0.0064;1.11116020741 +0.0066;1.14585590192 +0.0068;1.18055005362 +0.007;1.21524267599 +0.0072;1.24993378246 +0.0074;1.28462338641 +0.0076;1.31931150118 +0.0078;1.35399814002 +0.008;1.38868331615 +0.0082;1.42336704274 +0.0084;1.45804933288 +0.0086;1.49273019963 +0.0088;1.52740965597 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+USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_SYCL = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +PELE_CVODE_FORCE_YCORDER = FALSE +PELE_USE_MAGMA = FALSE +PELE_COMPILE_AJACOBIAN = FALSE +Eos_Model := Fuego +Chemistry_Model := decane_3sp +Transport_Model := Simple + +# Spray +USE_PARTICLES = TRUE +SPRAY_FUEL_NUM = 1 + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/Exec/Make.PeleC diff --git a/Exec/RegTests/Spray-Multijet/Make.package b/Exec/RegTests/Spray-Multijet/Make.package new file mode 100644 index 000000000..1080bc23d --- /dev/null +++ b/Exec/RegTests/Spray-Multijet/Make.package @@ -0,0 +1,3 @@ +CEXE_sources += prob.cpp +CEXE_headers += prob.H +CEXE_headers += prob_parm.H diff --git a/Exec/RegTests/Spray-Multijet/SprayParticlesInitInsert.cpp b/Exec/RegTests/Spray-Multijet/SprayParticlesInitInsert.cpp new file mode 100644 index 000000000..f1f105f0f --- /dev/null +++ b/Exec/RegTests/Spray-Multijet/SprayParticlesInitInsert.cpp @@ -0,0 +1,102 @@ + +#include "SprayParticles.H" +#include "SprayInjection.H" +#include "prob.H" + +bool +SprayParticleContainer::injectParticles( + amrex::Real time, + amrex::Real dt, + int /*nstep*/, + int lev, + int /*finest_level*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + if (lev != 0) { + return false; + } + bool inject = false; + for (int jindx = 0; jindx < m_sprayJets.size(); ++jindx) { + SprayJet* js = m_sprayJets[jindx].get(); + if (js->jet_active(time)) { + sprayInjection(time, js, dt, lev); + inject = true; + } + } + + // Redistribute is done outside of this function + return inject; +} + +void +SprayParticleContainer::InitSprayParticles( + const bool /*init_parts*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + amrex::ParmParse ps("spray"); + amrex::Real jet_vel = 6.E4; + amrex::Real jet_dia = 1.E-3; + amrex::Real mass_flow_rate = 2.3E-3; + amrex::Real part_temp = 300.; + amrex::Real jet_start_time = 0.; + amrex::Real jet_end_time = 10000.; + amrex::Real spread_angle = 20.; + amrex::GpuArray Y_jet = {{0.0}}; + ps.get("jet_vel", jet_vel); + ps.query("jet_start", jet_start_time); + ps.query("jet_end", jet_end_time); + // The cells are divided by this value when prescribing the jet inlet + ps.get("jet_dia", jet_dia); + ps.get("T", part_temp); + ps.get("mass_flow_rate", mass_flow_rate); + ps.get("spread_angle", spread_angle); + std::vector jets_per_dir(AMREX_SPACEDIM); + ps.getarr("jets_per_dir", jets_per_dir); + std::vector in_Y_jet(SPRAY_FUEL_NUM, 0.); + in_Y_jet[0] = 1.; + ps.queryarr("jet_mass_fracs", in_Y_jet); + amrex::Real sumY = 0.; + for (int spf = 0; spf < SPRAY_FUEL_NUM; ++spf) { + Y_jet[spf] = in_Y_jet[spf]; + sumY += in_Y_jet[spf]; + } + if (std::abs(sumY - 1.) > 1.E-8) { + amrex::Abort("'jet_mass_fracs' must sum to 1"); + } + // Total number of jets + int num_jets = AMREX_D_TERM(jets_per_dir[0], *1, *jets_per_dir[2]); + m_sprayJets.resize(num_jets); + const auto plo = this->m_gdb->Geom(0).ProbLoArray(); + const auto phi = this->m_gdb->Geom(0).ProbHiArray(); + amrex::Real div_lenx = + (phi[0] - plo[0]) / (static_cast(jets_per_dir[0])); + int jetz = 1; +#if AMREX_SPACEDIM == 3 + amrex::Real div_lenz = 0.; + amrex::Real zlo = 0.; + div_lenz = (phi[2] - plo[2]) / (static_cast(jets_per_dir[2])); + zlo = plo[2]; + jetz = jets_per_dir[2]; +#endif + amrex::Real yloc = plo[1]; + int jindx = 0; + amrex::RealVect jet_norm(AMREX_D_DECL(0., 1., 0.)); + std::string dist_type = "Uniform"; + // Create each jet struct + for (int i = 0; i < jets_per_dir[0]; ++i) { + amrex::Real xloc = plo[0] + div_lenx * (static_cast(i) + 0.5); + for (int k = 0; k < jetz; ++k) { + amrex::RealVect jet_cent(AMREX_D_DECL( + xloc, yloc, zlo + div_lenz * (static_cast(k) + 0.5))); + std::string jet_name = "jet" + std::to_string(jindx); + m_sprayJets[jindx] = std::make_unique( + jet_name, Geom(0), jet_cent, jet_norm, spread_angle, jet_dia, jet_vel, + mass_flow_rate, part_temp, Y_jet, dist_type, jet_start_time, + jet_end_time); + jindx++; + } + } + return; +} diff --git a/Exec/RegTests/Spray-Multijet/example.inp b/Exec/RegTests/Spray-Multijet/example.inp new file mode 100644 index 000000000..610809c49 --- /dev/null +++ b/Exec/RegTests/Spray-Multijet/example.inp @@ -0,0 +1,118 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 10 +stop_time = 0.0038 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 0 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0. 0. 0. +geometry.prob_hi = 1.2 1.2 1.2 +amr.n_cell = 32 32 32 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +pelec.lo_bc = "Interior" "NoSlipWall" "Interior" +pelec.hi_bc = "Interior" "FOExtrap" "Interior" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.chem_integrator = "ReactorNull" +#pelec.chem_integrator = "ReactorCvode" +#cvode.solve_type = dense_direct +pelec.allow_negative_energy = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.8 # cfl number for hyperbolic system +pelec.init_shrink = 0.5 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt + + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp +#amr.data_log = datlog +#amr.grid_log = grdlog # name of grid logging file + +# REFINEMENT / REGRIDDING +amr.max_level = 1 # maximum level number allowed + +# Use fixed refinement base on an initial grid file +#amr.initial_grid_file = gridfile +#amr.regrid_int = -1 -1 -1 # how often to regrid + +# Use adaptive refinement based on temperature gradients +tagging.tempgrad = 1.3 +# Use adaptive refinement based on velocity gradients +#tagging.velgrad = 40. +amr.regrid_int = 4 8 8 + +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.blocking_factor = 16 # block factor in grid generation +amr.max_grid_size = 32 +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.v = 0 +particles.mom_transfer = 1 +particles.mass_transfer = 1 +particles.write_ascii_files = 0 + +particles.fuel_ref_temp = 298.15 + +particles.fuel_species = NC10H22 +# Properties for liquid dodecane +particles.NC10H22_crit_temp = 658.2 # K +particles.NC10H22_boil_temp = 489. # K +particles.NC10H22_latent = 3.0294E9 +particles.NC10H22_cp = 2.5939E7 # Cp at 298 +particles.NC10H22_rho = 0.669 +# Coefficients for saturation pressure using Antoine equation +# These are from the NIST website +# Last coefficient converts units, in this case bar, to dyne/cm^2 +particles.NC10H22_psat = 4.10549 1625.928 -92.839 1.E6 + +particles.use_splash_model = false + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = -1 # number of timesteps between checkpoints + +# PLOTFILES +#amr.plot_files_output = 0 +amr.plot_file = plt # root name of plotfile +amr.plot_int = 1 +#amr.plot_per = 1.E-5 # number of timesteps between plotfiles +amr.plot_vars = density Temp rho_E xmom ymom zmom rho_O2 rho_N2 rho_NC12H26 +amr.derive_plot_vars = x_velocity y_velocity z_velocity pressure # these variables appear in the plotfile +amr.file_name_digits = 6 + +# PROBLEM +# Initial fluid properties +prob.ref_T = 900. +prob.ref_p = 2.93E7 +prob.init_v = 0. +prob.init_N2 = 0.767 +prob.init_O2 = 0.233 + +# Jet properties +spray.jet_dia = 9.E-3 +spray.spread_angle = 21. + +# Properties of injected particles +spray.T = 363. +spray.diameter = 4.5E-4 + +spray.jets_per_dir = 2 1 2 +spray.jet_start = 0. +spray.jet_end = 1.54E-3 +spray.jet_vel = 6.E4 +spray.mass_flow_rate = 2.3 diff --git a/Exec/RegTests/Spray-Multijet/prob.H b/Exec/RegTests/Spray-Multijet/prob.H new file mode 100644 index 000000000..7cfa2b02e --- /dev/null +++ b/Exec/RegTests/Spray-Multijet/prob.H @@ -0,0 +1,80 @@ +#ifndef PROB_H +#define PROB_H + +#include +#include +#include +#include + +#include "mechanism.H" + +#include "IndexDefines.H" +#include "Constants.H" +#include "PelePhysics.H" +#include "Tagging.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& prob_parm) +{ + + amrex::Real u[3] = {0.0}; + u[1] = prob_parm.v0; + const amrex::Real p = prob_parm.p0; + amrex::Real rho, eint; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[O2_ID] = prob_parm.Y_O2; + massfrac[N2_ID] = prob_parm.Y_N2; + amrex::Real Tval = prob_parm.T0; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE(p, massfrac, Tval, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = Tval; + for (int n = 0; n < NUM_SPECIES; n++) { + state(i, j, k, UFS + n) = rho * massfrac[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real* /*x*/, + const amrex::Real s_int[NVAR], + amrex::Real s_ext[NVAR], + const int /*idir*/, + const int /*sgn*/, + const amrex::Real /*time*/, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& /*prob_parm*/, + const amrex::GpuArray& /*turb_fluc*/) +{ + // This sets the values at the boundary equal to the + // adjacent interior values + for (int i = 0; i < NVAR; ++i) { + s_ext[i] = s_int[i]; + } +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; +#endif diff --git a/Exec/RegTests/Spray-Multijet/prob.cpp b/Exec/RegTests/Spray-Multijet/prob.cpp new file mode 100644 index 000000000..8ea1f9298 --- /dev/null +++ b/Exec/RegTests/Spray-Multijet/prob.cpp @@ -0,0 +1,53 @@ +#include "prob.H" + +extern "C" { +void +amrex_probinit( + const int* /*init*/, + const int* /*name*/, + const int* /*namelen*/, + const amrex_real* /*problo*/, + const amrex_real* /*probhi*/) +{ + // Parse params + amrex::ParmParse pp("prob"); + pp.query("init_v", PeleC::h_prob_parm_device->v0); + pp.get("ref_p", PeleC::h_prob_parm_device->p0); + pp.get("ref_T", PeleC::h_prob_parm_device->T0); + pp.query("init_N2", PeleC::h_prob_parm_device->Y_N2); + pp.query("init_O2", PeleC::h_prob_parm_device->Y_O2); + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[N2_ID] = PeleC::h_prob_parm_device->Y_N2; + massfrac[O2_ID] = PeleC::h_prob_parm_device->Y_O2; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE( + PeleC::h_prob_parm_device->p0, massfrac, PeleC::h_prob_parm_device->T0, + PeleC::h_prob_parm_device->rho0, eint); + eos.RTY2Cs( + PeleC::h_prob_parm_device->rho0, PeleC::h_prob_parm_device->T0, massfrac, + cs); + eos.TY2Cp(PeleC::h_prob_parm_device->T0, massfrac, cp); +} +} + +void +pc_prob_close() +{ +} + +void +PeleC::problem_post_timestep() +{ +} + +void +PeleC::problem_post_init() +{ +} + +void +PeleC::problem_post_restart() +{ +} diff --git a/Exec/RegTests/Spray-Multijet/prob_parm.H b/Exec/RegTests/Spray-Multijet/prob_parm.H new file mode 100644 index 000000000..007223910 --- /dev/null +++ b/Exec/RegTests/Spray-Multijet/prob_parm.H @@ -0,0 +1,22 @@ +#ifndef PROB_PARM_H +#define PROB_PARM_H + +#include +#include +#include + +struct ProbParmDevice +{ + amrex::Real p0 = 1.013e6; // [erg cm^-3] + amrex::Real T0 = 300.0; + amrex::Real rho0 = 0.0; + amrex::Real v0 = 0.; + amrex::Real Y_O2 = 0.233; + amrex::Real Y_N2 = 0.767; +}; + +struct ProbParmHost +{ +}; + +#endif diff --git a/Exec/RegTests/Spray-TG/CMakeLists.txt b/Exec/RegTests/Spray-TG/CMakeLists.txt new file mode 100644 index 000000000..0c9371905 --- /dev/null +++ b/Exec/RegTests/Spray-TG/CMakeLists.txt @@ -0,0 +1,6 @@ +set(PELEC_ENABLE_AMREX_PARTICLES ON) +set(PELEC_EOS_MODEL Fuego) +set(PELEC_CHEMISTRY_MODEL air) +set(PELEC_TRANSPORT_MODEL Constant) +set(PELE_SPRAY_FUEL_NUM 1) +include(BuildExeAndLib) diff --git a/Exec/RegTests/Spray-TG/GNUmakefile b/Exec/RegTests/Spray-TG/GNUmakefile new file mode 100644 index 000000000..3116372a0 --- /dev/null +++ b/Exec/RegTests/Spray-TG/GNUmakefile @@ -0,0 +1,42 @@ +# AMReX +DIM = 2 +COMP = gnu +PRECISION = DOUBLE + +# Profiling +PROFILE = FALSE +TINY_PROFILE = FALSE +COMM_PROFILE = FALSE +TRACE_PROFILE = FALSE +MEM_PROFILE = FALSE +USE_GPROF = FALSE + +# Performance +USE_MPI = FALSE +USE_OMP = FALSE +USE_CUDA = FALSE +USE_HIP = FALSE +USE_SYCL = FALSE + +# Debugging +DEBUG = FALSE +FSANITIZER = FALSE +THREAD_SANITIZER = FALSE + +# PeleC +PELE_CVODE_FORCE_YCORDER = FALSE +PELE_USE_MAGMA = FALSE +PELE_COMPILE_AJACOBIAN = FALSE +Eos_Model := Fuego +Chemistry_Model := air +Transport_Model := Constant + +# Spray +USE_PARTICLES = TRUE +SPRAY_FUEL_NUM = 1 + +# GNU Make +Bpack := ./Make.package +Blocs := . +PELEC_HOME := ../../.. +include $(PELEC_HOME)/Exec/Make.PeleC diff --git a/Exec/RegTests/Spray-TG/Make.package b/Exec/RegTests/Spray-TG/Make.package new file mode 100644 index 000000000..1080bc23d --- /dev/null +++ b/Exec/RegTests/Spray-TG/Make.package @@ -0,0 +1,3 @@ +CEXE_sources += prob.cpp +CEXE_headers += prob.H +CEXE_headers += prob_parm.H diff --git a/Exec/RegTests/Spray-TG/SprayParticlesInitInsert.cpp b/Exec/RegTests/Spray-TG/SprayParticlesInitInsert.cpp new file mode 100644 index 000000000..5518e1f16 --- /dev/null +++ b/Exec/RegTests/Spray-TG/SprayParticlesInitInsert.cpp @@ -0,0 +1,40 @@ + +#include "SprayInjection.H" +#include +#include "prob.H" + +bool +SprayParticleContainer::injectParticles( + amrex::Real /*time*/, + amrex::Real /*dt*/, + int /*nstep*/, + int /*lev*/, + int /*finest_level*/, + ProbParmHost const& /*prob_parm*/, + ProbParmDevice const& /*prob_parm_d*/) +{ + return false; +} + +void +SprayParticleContainer::InitSprayParticles( + const bool init_parts, + ProbParmHost const& prob_parm, + ProbParmDevice const& /*prob_parm_d*/) +{ + if (!init_parts) { + return; + } + const int level = 0; + amrex::ParmParse pp("prob"); + amrex::IntVect partNum(AMREX_D_DECL(100, 100, 100)); + pp.query("num_particles", partNum); + amrex::RealVect partVel = amrex::RealVect::TheZeroVector(); + amrex::Real partDia = prob_parm.partDia; + amrex::Real partTemp = prob_parm.partTemp; + int numRedist = 1; + std::array partY = {0.0}; + partY[0] = 1.; + uniformSprayInit( + partNum, partVel, partDia, partTemp, partY.begin(), level, numRedist); +} diff --git a/Exec/RegTests/Spray-TG/example.inp b/Exec/RegTests/Spray-TG/example.inp new file mode 100644 index 000000000..d2aac566d --- /dev/null +++ b/Exec/RegTests/Spray-TG/example.inp @@ -0,0 +1,94 @@ +# ------------------ INPUTS TO MAIN PROGRAM ------------------- +max_step = 1000000 +stop_time = 1.14E-3 + +# PROBLEM SIZE & GEOMETRY +geometry.is_periodic = 1 1 1 +geometry.coord_sys = 0 # 0 => cart, 1 => RZ 2=>spherical +geometry.prob_lo = 0. 0. 0. +geometry.prob_hi = 1. 1. 1. + +# use with single level +amr.n_cell = 128 128 128 +prob.num_particles = (266, 266, 266) +amr.max_grid_size = 128 + +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +# >>>>>>>>>>>>> BC FLAGS <<<<<<<<<<<<<<<< +pelec.lo_bc = "Interior" "Interior" "Interior" +pelec.hi_bc = "Interior" "Interior" "Interior" + +# WHICH PHYSICS +pelec.do_hydro = 1 +pelec.diffuse_vel = 1 +pelec.diffuse_temp = 1 +pelec.diffuse_enth = 1 +pelec.diffuse_spec = 1 +pelec.do_react = 0 +pelec.allow_negative_energy = 1 + +# TIME STEP CONTROL +pelec.cfl = 0.8 # cfl number for hyperbolic system +pelec.init_shrink = 0.3 # scale back initial timestep +pelec.change_max = 1.1 # max time step growth +pelec.dt_cutoff = 5.e-20 # level 0 timestep below which we halt +#pelec.fixed_dt = 1.e-8 + + +# DIAGNOSTICS & VERBOSITY +pelec.sum_interval = -1 # timesteps between computing mass +pelec.v = 0 # verbosity in Castro.cpp +amr.v = 1 # verbosity in Amr.cpp + +# REFINEMENT / REGRIDDING +amr.max_level = 0 # maximum level number allowed +amr.ref_ratio = 2 2 2 2 # refinement ratio +amr.regrid_int = 2 2 2 2 # how often to regrid +amr.blocking_factor = 32 # block factor in grid generation +amr.n_error_buf = 2 2 2 2 # number of buffer cells in error est + +# PARTICLES / SPRAY +pelec.do_spray_particles = 1 +particles.v = 0 +particles.mom_transfer = 0 +particles.mass_transfer = 0 +particles.cfl = 0.5 +particles.write_ascii_files = 0 # Do not write ascii output files + +particles.fuel_ref_temp = 298.15 + +particles.fuel_species = O2 +particles.fuel_rho = 3.414 + +# properties for decane +particles.O2_crit_temp = 617.8 # K +particles.O2_boil_temp = 447.27 # K +particles.O2_latent = 3.5899E9 +particles.O2_cp = 2.1921E7 # Cp at 298 K +particles.O2_rho = 3.414 + +particles.use_splash_model = false + +# CHECKPOINT FILES +amr.checkpoint_files_output = 0 +amr.check_file = chk # root name of checkpoint file +amr.check_int = 10000 # number of timesteps between checkpoints +#amr.restart = chk0000100 + +# PLOTFILES +#amr.plot_files_output = 0 +amr.plot_file = plt # root name of plotfile +amr.plot_per = 1.E-4 +amr.plot_vars = density Temp rho_E xmom ymom zmom +amr.derive_plot_vars = x_velocity y_velocity z_velocity pressure MachNumber magvel +amr.file_name_digits = 6 + +# PROBLEM PARAMETERS +prob.reynolds = 1600. +prob.mach = 0.1 +prob.ref_p = 1.01325E6 +prob.ref_T = 1000. +prob.density_ratio = 10000. +prob.st_mod = 10. + +amrex.abort_on_out_of_gpu_memory = 1 diff --git a/Exec/RegTests/Spray-TG/prob.H b/Exec/RegTests/Spray-TG/prob.H new file mode 100644 index 000000000..0ccefd44d --- /dev/null +++ b/Exec/RegTests/Spray-TG/prob.H @@ -0,0 +1,100 @@ +#ifndef PROB_H +#define PROB_H + +#include +#include +#include +#include +#include + +#include "mechanism.H" + +#include "IndexDefines.H" +#include "Constants.H" +#include "PelePhysics.H" +#include "Tagging.H" +#include "Transport.H" +#include "ProblemDerive.H" +#include "prob_parm.H" + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +pc_initdata( + int i, + int j, + int k, + amrex::Array4 const& state, + amrex::GeometryData const& geomdata, + ProbParmDevice const& prob_parm) +{ + + // Geometry + const amrex::Real* prob_lo = geomdata.ProbLo(); + const amrex::Real* dx = geomdata.CellSize(); + amrex::Real L = prob_parm.L; + amrex::Real x = 0.; + amrex::Real y = 0.; + amrex::Real z = 0.; + AMREX_D_TERM(x = prob_lo[0] + (i + 0.5) * dx[0]; + , y = prob_lo[1] + (j + 0.5) * dx[1]; + , z = prob_lo[2] + (k + 0.5) * dx[2];); + const amrex::Real coef = 2. * M_PI; + + // TG functions + amrex::Real u[3] = {0.0}; + u[0] = prob_parm.v0 * std::sin(coef * x / L) * std::cos(coef * y / L) * + std::cos(coef * z / L); + u[1] = -prob_parm.v0 * std::cos(coef * x / L) * std::sin(coef * y / L) * + std::cos(coef * z / L); + if (prob_parm.convecting) { + u[0] += prob_parm.v0; + u[1] += prob_parm.v0; + } + const amrex::Real p = + prob_parm.p0 + + prob_parm.rho0 * prob_parm.v0 * prob_parm.v0 * + (std::cos(2.0 * coef * x / L) + std::cos(2.0 * coef * y / L)) * + (std::cos(2.0 * coef * z / L) + 2.0) / 16.; + amrex::Real rho, eint; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[N2_ID] = 1.; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE(p, massfrac, prob_parm.T0, rho, eint); + + // Set the state + state(i, j, k, URHO) = rho; + state(i, j, k, UMX) = rho * u[0]; + state(i, j, k, UMY) = rho * u[1]; + state(i, j, k, UMZ) = rho * u[2]; + state(i, j, k, UEINT) = rho * eint; + state(i, j, k, UEDEN) = + rho * (eint + 0.5 * (u[0] * u[0] + u[1] * u[1] + u[2] * u[2])); + state(i, j, k, UTEMP) = prob_parm.T0; + for (int n = 0; n < NUM_SPECIES; n++) { + state(i, j, k, UFS + n) = rho * massfrac[n]; + } +} + +AMREX_GPU_DEVICE +AMREX_FORCE_INLINE +void +bcnormal( + const amrex::Real* /*x*/, + const amrex::Real* /*s_int[NVAR]*/, + amrex::Real* /*s_ext[NVAR]*/, + const int /*idir*/, + const int /*sgn*/, + const amrex::Real /*time*/, + amrex::GeometryData const& /*geomdata*/, + ProbParmDevice const& /*prob_parm*/, + const amrex::GpuArray& /*turb_fluc*/) +{ +} + +void pc_prob_close(); + +using ProblemTags = EmptyProbTagStruct; +using ProblemDerives = EmptyProbDeriveStruct; + +#endif diff --git a/Exec/RegTests/Spray-TG/prob.cpp b/Exec/RegTests/Spray-TG/prob.cpp new file mode 100644 index 000000000..b4a9f02c3 --- /dev/null +++ b/Exec/RegTests/Spray-TG/prob.cpp @@ -0,0 +1,130 @@ +#include "prob.H" + +void +pc_prob_close() +{ +} + +extern "C" { +void +amrex_probinit( + const int* /*init*/, + const int* /*name*/, + const int* /*namelen*/, + const amrex_real* problo, + const amrex_real* probhi) +{ + amrex::Real Stmod = 5.; + amrex::Real rhoRatio = 1000.; + amrex::Real mach = 0.1; + const amrex::Real Pr = 0.71; + // Parse params + amrex::ParmParse pp("prob"); + pp.query("reynolds", PeleC::h_prob_parm_device->reynolds); + pp.query("mach", mach); + pp.query("convecting", PeleC::h_prob_parm_device->convecting); + pp.query("ref_p", PeleC::h_prob_parm_device->p0); + pp.query("ref_T", PeleC::h_prob_parm_device->T0); + pp.query("st_mod", Stmod); + pp.query("density_ratio", rhoRatio); + + // Define the length scale + PeleC::h_prob_parm_device->L = probhi[0] - problo[0]; + + // Initial density, velocity, and material properties + amrex::Real eint, cs, cp; + amrex::Real massfrac[NUM_SPECIES] = {0.0}; + massfrac[N2_ID] = 1.; + auto eos = pele::physics::PhysicsType::eos(); + eos.PYT2RE( + PeleC::h_prob_parm_device->p0, massfrac, PeleC::h_prob_parm_device->T0, + PeleC::h_prob_parm_device->rho0, eint); + eos.RTY2Cs( + PeleC::h_prob_parm_device->rho0, PeleC::h_prob_parm_device->T0, massfrac, + cs); + eos.TY2Cp(PeleC::h_prob_parm_device->T0, massfrac, cp); + + amrex::Real refL = PeleC::h_prob_parm_device->L; + PeleC::h_prob_parm_device->v0 = PeleC::h_prob_parm_device->mach * cs; + auto& trans_parm = PeleC::trans_parms.host_trans_parm(); + + trans_parm.const_bulk_viscosity = 0.0; + trans_parm.const_diffusivity = 0.0; + const amrex::Real mu = PeleC::h_prob_parm_device->rho0 * + PeleC::h_prob_parm_device->v0 * refL / + PeleC::h_prob_parm_device->reynolds; + trans_parm.const_viscosity = mu; + trans_parm.const_conductivity = mu * cp / Pr; + PeleC::trans_parms.sync_to_device(); + + const amrex::Real St_num = Stmod / (8. * M_PI); + amrex::Real refU = PeleC::h_prob_parm_device->v0; + amrex::Real partRho; + amrex::ParmParse ppp("particles"); + ppp.get("fuel_rho", partRho); + amrex::Real refRho = PeleC::h_prob_parm_device->rho0; + if (std::abs(rhoRatio - partRho / refRho) > 10.) { + amrex::Print() << "Restart solution with particles.fuel_rho = " + << refRho * rhoRatio << std::endl; + amrex::Abort(); + } + // Time scale for Eulerian phase + amrex::Real tau_g = refL / refU; + amrex::Real tau_d = St_num * tau_g; + amrex::Real dia = std::sqrt(18. * mu * tau_d / partRho); + amrex::Real Re_d = dia * refU * PeleC::h_prob_parm_device->rho0 / mu; + amrex::Real error = 1000.; + const amrex::Real tol = 1.E-6; + int k = 0; + const int maxIter = 500; + // Iteratively solve for the diameter of the spray droplets + while (error > tol) { + amrex::Real oldDia = dia; + Re_d = dia * refU * PeleC::h_prob_parm_device->rho0 / mu; + amrex::Real C_D = 24. / Re_d; + if (Re_d > 1.) + C_D *= (1. + std::pow(Re_d, 2. / 3.) / 6.); + dia = 0.75 * refRho * C_D * refU * tau_d / partRho; + error = std::abs(oldDia - dia) / dia; + k++; + if (k > maxIter) { + amrex::Abort("Failed to converge a particle diameter"); + } + } + PeleC::prob_parm_host->partDia = dia; + PeleC::prob_parm_host->partTemp = PeleC::h_prob_parm_device->T0; + // Output IC + if (amrex::ParallelDescriptor::IOProcessor()) { + std::ofstream ofs("ic.txt", std::ofstream::out); + amrex::Print(ofs) << "rho0: " << PeleC::h_prob_parm_device->rho0 + << std::endl; + amrex::Print(ofs) << "cs: " << cs << std::endl; + amrex::Print(ofs) << "U: " << PeleC::h_prob_parm_device->v0 << std::endl; + amrex::Print(ofs) << "mu: " << trans_parm.const_viscosity << std::endl; + amrex::Print(ofs) << "Re: " << PeleC::h_prob_parm_device->reynolds + << std::endl; + amrex::Print(ofs) << "Stokes number: " << Stmod << "*Stc" << std::endl; + amrex::Print(ofs) << "particle diameter: " << PeleC::prob_parm_host->partDia + << std::endl; + amrex::Print(ofs) << "tau_d: " << tau_d << std::endl; + amrex::Print(ofs) << "Re_d: " << Re_d << std::endl; + amrex::Print(ofs) << "tau_g: " << tau_g << std::endl; + ofs.close(); + } +} +} + +void +PeleC::problem_post_timestep() +{ +} + +void +PeleC::problem_post_init() +{ +} + +void +PeleC::problem_post_restart() +{ +} diff --git a/Exec/RegTests/Spray-TG/prob_parm.H b/Exec/RegTests/Spray-TG/prob_parm.H new file mode 100644 index 000000000..d665410dc --- /dev/null +++ b/Exec/RegTests/Spray-TG/prob_parm.H @@ -0,0 +1,28 @@ +#ifndef PROB_PARM_H +#define PROB_PARM_H + +#include +#include +#include + +struct ProbParmDevice +{ + amrex::Real reynolds = 1600.0; + amrex::Real mach = 0.1; + bool convecting = false; + amrex::Real L = 1.0; + amrex::Real p0 = 1.013e6; // [erg cm^-3] + amrex::Real T0 = 1000.0; + amrex::Real rho0 = 0.0; + amrex::Real v0 = 0.0; + amrex::Real Y_O2 = 0.233; + amrex::Real Y_N2 = 0.767; +}; + +struct ProbParmHost +{ + amrex::Real partTemp = 300.; + amrex::Real partDia = 1.E-3; +}; + +#endif diff --git a/Tests/CMakeLists.txt b/Tests/CMakeLists.txt index 2f785c8f0..e2e53a611 100644 --- a/Tests/CMakeLists.txt +++ b/Tests/CMakeLists.txt @@ -246,8 +246,10 @@ add_test_rv(eb-c11 EB-C11) add_test_rv(eb-c12 EB-C12) # add_test_r(eb-c14 EB-C14) # disable due to FPE in ghost cells add_test_r(eb-converging-nozzle EB-ConvergingNozzle) -if(PELEC_ENABLE_AMREX_PARTICLES AND PELEC_DIM EQUAL 2) - add_test_spray(Spray-Conv) +if(PELEC_ENABLE_AMREX_PARTICLES) + if(PELEC_DIM EQUAL 2) + add_test_spray(Spray-Conv) + endif() endif() if(PELEC_ENABLE_MASA) add_test_r(mms-3 MMS) @@ -270,6 +272,7 @@ endif() if(PELEC_ENABLE_ASCENT) add_test_r(pmf-ascent PMF) endif() +add_test_r(soot-zerod Soot-ZeroD) # Not run in CI add_test_re(pmf-lidryer-rk64 PMF) @@ -277,6 +280,8 @@ add_test_re(pmf-lidryer-cvode PMF) add_test_re(sedov-1 Sedov) add_test_re(shu-osher-1 Shu-Osher) add_test_re(zerod-1 zeroD) +add_test_re(spray-eb Spray-EB) +add_test_re(spray-a-wbreakup Spray-A-Wbreakup) add_test_re(soot-flame Soot-Flame) add_test_re(eb-c8 EB-C8) add_test_re(eb-c8-rere EB-C8)