// Copyright (c) 2017-2024, Lawrence Livermore National Security, LLC and other CEED contributors. // All Rights Reserved. See the top-level LICENSE and NOTICE files for details. // // SPDX-License-Identifier: BSD-2-Clause // // This file is part of CEED: http://github.com/ceed /// @file /// Utility functions for setting up problems using the Newtonian Qfunction #include "../qfunctions/newtonian.h" #include #include #include "../navierstokes.h" #include "../qfunctions/setupgeo.h" // For use with PetscOptionsEnum static const char *const StateVariables[] = {"CONSERVATIVE", "PRIMITIVE", "StateVariable", "STATEVAR_", NULL}; // Compute relative error |a - b|/|s| static PetscErrorCode CheckPrimitiveWithTolerance(StatePrimitive sY, StatePrimitive aY, StatePrimitive bY, const char *name, PetscReal rtol_pressure, PetscReal rtol_velocity, PetscReal rtol_temperature) { StatePrimitive eY; // relative error PetscFunctionBeginUser; eY.pressure = (aY.pressure - bY.pressure) / sY.pressure; PetscScalar u = sqrt(Square(sY.velocity[0]) + Square(sY.velocity[1]) + Square(sY.velocity[2])); for (int j = 0; j < 3; j++) eY.velocity[j] = (aY.velocity[j] - bY.velocity[j]) / u; eY.temperature = (aY.temperature - bY.temperature) / sY.temperature; if (fabs(eY.pressure) > rtol_pressure) printf("%s: pressure error %g\n", name, eY.pressure); for (int j = 0; j < 3; j++) { if (fabs(eY.velocity[j]) > rtol_velocity) printf("%s: velocity[%d] error %g\n", name, j, eY.velocity[j]); } if (fabs(eY.temperature) > rtol_temperature) printf("%s: temperature error %g\n", name, eY.temperature); PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode UnitTests_Newtonian(User user, NewtonianIdealGasContext gas) { Units units = user->units; const CeedScalar eps = 1e-6; const CeedScalar kg = units->kilogram, m = units->meter, sec = units->second, Pascal = units->Pascal; PetscFunctionBeginUser; const CeedScalar rho = 1.2 * kg / (m * m * m), u = 40 * m / sec; CeedScalar U[5] = {rho, rho * u, rho * u * 1.1, rho * u * 1.2, 250e3 * Pascal + .5 * rho * u * u}; State s = StateFromU(gas, U); for (int i = 0; i < 8; i++) { CeedScalar dU[5] = {0}; if (i < 5) dU[i] = U[i]; State ds = StateFromU_fwd(gas, s, dU); for (int j = 0; j < 5; j++) dU[j] = (1 + eps * (i == j)) * U[j]; State t = StateFromU(gas, dU); StatePrimitive dY; dY.pressure = (t.Y.pressure - s.Y.pressure) / eps; for (int j = 0; j < 3; j++) dY.velocity[j] = (t.Y.velocity[j] - s.Y.velocity[j]) / eps; dY.temperature = (t.Y.temperature - s.Y.temperature) / eps; char buf[128]; snprintf(buf, sizeof buf, "StateFromU_fwd i=%d", i); PetscCall(CheckPrimitiveWithTolerance(dY, ds.Y, dY, buf, 5e-6, 1e-6, 1e-6)); } PetscFunctionReturn(PETSC_SUCCESS); } // @brief Create CeedOperator for stabilized mass KSP for explicit timestepping // // Only used for SUPG stabilization PetscErrorCode CreateKSPMassOperator_NewtonianStabilized(User user, CeedOperator *op_mass) { Ceed ceed = user->ceed; CeedInt num_comp_q, q_data_size; CeedQFunction qf_mass; CeedElemRestriction elem_restr_q, elem_restr_qd_i; CeedBasis basis_q; CeedVector q_data; CeedQFunctionContext qf_ctx = NULL; PetscInt dim = 3; PetscFunctionBeginUser; { // Get restriction and basis from the RHS function CeedOperator *sub_ops; CeedOperatorField field; PetscInt sub_op_index = 0; // will be 0 for the volume op PetscCallCeed(ceed, CeedCompositeOperatorGetSubList(user->op_rhs_ctx->op, &sub_ops)); PetscCallCeed(ceed, CeedOperatorGetFieldByName(sub_ops[sub_op_index], "q", &field)); PetscCallCeed(ceed, CeedOperatorFieldGetElemRestriction(field, &elem_restr_q)); PetscCallCeed(ceed, CeedOperatorFieldGetBasis(field, &basis_q)); PetscCallCeed(ceed, CeedOperatorGetFieldByName(sub_ops[sub_op_index], "qdata", &field)); PetscCallCeed(ceed, CeedOperatorFieldGetElemRestriction(field, &elem_restr_qd_i)); PetscCallCeed(ceed, CeedOperatorFieldGetVector(field, &q_data)); PetscCallCeed(ceed, CeedOperatorGetContext(sub_ops[sub_op_index], &qf_ctx)); } PetscCallCeed(ceed, CeedElemRestrictionGetNumComponents(elem_restr_q, &num_comp_q)); PetscCallCeed(ceed, CeedElemRestrictionGetNumComponents(elem_restr_qd_i, &q_data_size)); PetscCallCeed(ceed, CeedQFunctionCreateInterior(ceed, 1, MassFunction_Newtonian_Conserv, MassFunction_Newtonian_Conserv_loc, &qf_mass)); PetscCallCeed(ceed, CeedQFunctionSetContext(qf_mass, qf_ctx)); PetscCallCeed(ceed, CeedQFunctionSetUserFlopsEstimate(qf_mass, 0)); PetscCallCeed(ceed, CeedQFunctionAddInput(qf_mass, "q_dot", 5, CEED_EVAL_INTERP)); PetscCallCeed(ceed, CeedQFunctionAddInput(qf_mass, "q", 5, CEED_EVAL_INTERP)); PetscCallCeed(ceed, CeedQFunctionAddInput(qf_mass, "qdata", q_data_size, CEED_EVAL_NONE)); PetscCallCeed(ceed, CeedQFunctionAddOutput(qf_mass, "v", 5, CEED_EVAL_INTERP)); PetscCallCeed(ceed, CeedQFunctionAddOutput(qf_mass, "Grad_v", 5 * dim, CEED_EVAL_GRAD)); PetscCallCeed(ceed, CeedOperatorCreate(ceed, qf_mass, NULL, NULL, op_mass)); PetscCallCeed(ceed, CeedOperatorSetField(*op_mass, "q_dot", elem_restr_q, basis_q, CEED_VECTOR_ACTIVE)); PetscCallCeed(ceed, CeedOperatorSetField(*op_mass, "q", elem_restr_q, basis_q, user->q_ceed)); PetscCallCeed(ceed, CeedOperatorSetField(*op_mass, "qdata", elem_restr_qd_i, CEED_BASIS_NONE, q_data)); PetscCallCeed(ceed, CeedOperatorSetField(*op_mass, "v", elem_restr_q, basis_q, CEED_VECTOR_ACTIVE)); PetscCallCeed(ceed, CeedOperatorSetField(*op_mass, "Grad_v", elem_restr_q, basis_q, CEED_VECTOR_ACTIVE)); PetscCallCeed(ceed, CeedQFunctionDestroy(&qf_mass)); PetscFunctionReturn(PETSC_SUCCESS); } PetscErrorCode NS_NEWTONIAN_IG(ProblemData problem, DM dm, void *ctx, SimpleBC bc) { SetupContext setup_context; User user = *(User *)ctx; CeedInt degree = user->app_ctx->degree; StabilizationType stab; StateVariable state_var; MPI_Comm comm = user->comm; Ceed ceed = user->ceed; PetscBool implicit; PetscBool unit_tests; NewtonianIdealGasContext newtonian_ig_ctx; CeedQFunctionContext newtonian_ig_context; PetscFunctionBeginUser; PetscCall(PetscCalloc1(1, &setup_context)); PetscCall(PetscCalloc1(1, &newtonian_ig_ctx)); // ------------------------------------------------------ // Setup Generic Newtonian IG Problem // ------------------------------------------------------ problem->dim = 3; problem->q_data_size_vol = 10; problem->q_data_size_sur = 10; problem->jac_data_size_sur = 11; problem->setup_vol.qfunction = Setup; problem->setup_vol.qfunction_loc = Setup_loc; problem->setup_sur.qfunction = SetupBoundary; problem->setup_sur.qfunction_loc = SetupBoundary_loc; problem->non_zero_time = PETSC_FALSE; problem->print_info = PRINT_NEWTONIAN; problem->uses_newtonian = PETSC_TRUE; // ------------------------------------------------------ // Create the libCEED context // ------------------------------------------------------ CeedScalar cv = 717.; // J/(kg K) CeedScalar cp = 1004.; // J/(kg K) CeedScalar g[3] = {0, 0, 0}; // m/s^2 CeedScalar lambda = -2. / 3.; // - CeedScalar mu = 1.8e-5; // Pa s, dynamic viscosity CeedScalar k = 0.02638; // W/(m K) CeedScalar c_tau = 0.5 / degree; // - CeedScalar Ctau_t = 1.0; // - CeedScalar Cv_func[3] = {36, 60, 128}; CeedScalar Ctau_v = Cv_func[(CeedInt)Min(3, degree) - 1]; CeedScalar Ctau_C = 0.25 / degree; CeedScalar Ctau_M = 0.25 / degree; CeedScalar Ctau_E = 0.125; PetscReal domain_min[3], domain_max[3], domain_size[3]; PetscCall(DMGetBoundingBox(dm, domain_min, domain_max)); for (PetscInt i = 0; i < 3; i++) domain_size[i] = domain_max[i] - domain_min[i]; StatePrimitive reference = {.pressure = 1.01e5, .velocity = {0}, .temperature = 288.15}; CeedScalar idl_decay_time = -1, idl_start = 0, idl_length = 0; PetscBool idl_enable = PETSC_FALSE; // ------------------------------------------------------ // Create the PETSc context // ------------------------------------------------------ PetscScalar meter = 1; // 1 meter in scaled length units PetscScalar kilogram = 1; // 1 kilogram in scaled mass units PetscScalar second = 1; // 1 second in scaled time units PetscScalar Kelvin = 1; // 1 Kelvin in scaled temperature units PetscScalar W_per_m_K, Pascal, J_per_kg_K, m_per_squared_s; // ------------------------------------------------------ // Command line Options // ------------------------------------------------------ PetscBool given_option = PETSC_FALSE; PetscOptionsBegin(comm, NULL, "Options for Newtonian Ideal Gas based problem", NULL); // -- Conservative vs Primitive variables PetscCall(PetscOptionsEnum("-state_var", "State variables used", NULL, StateVariables, (PetscEnum)(state_var = STATEVAR_CONSERVATIVE), (PetscEnum *)&state_var, NULL)); switch (state_var) { case STATEVAR_CONSERVATIVE: problem->ics.qfunction = ICsNewtonianIG_Conserv; problem->ics.qfunction_loc = ICsNewtonianIG_Conserv_loc; problem->apply_vol_rhs.qfunction = RHSFunction_Newtonian; problem->apply_vol_rhs.qfunction_loc = RHSFunction_Newtonian_loc; problem->apply_vol_ifunction.qfunction = IFunction_Newtonian_Conserv; problem->apply_vol_ifunction.qfunction_loc = IFunction_Newtonian_Conserv_loc; problem->apply_vol_ijacobian.qfunction = IJacobian_Newtonian_Conserv; problem->apply_vol_ijacobian.qfunction_loc = IJacobian_Newtonian_Conserv_loc; problem->apply_inflow.qfunction = BoundaryIntegral_Conserv; problem->apply_inflow.qfunction_loc = BoundaryIntegral_Conserv_loc; problem->apply_inflow_jacobian.qfunction = BoundaryIntegral_Jacobian_Conserv; problem->apply_inflow_jacobian.qfunction_loc = BoundaryIntegral_Jacobian_Conserv_loc; break; case STATEVAR_PRIMITIVE: problem->ics.qfunction = ICsNewtonianIG_Prim; problem->ics.qfunction_loc = ICsNewtonianIG_Prim_loc; problem->apply_vol_ifunction.qfunction = IFunction_Newtonian_Prim; problem->apply_vol_ifunction.qfunction_loc = IFunction_Newtonian_Prim_loc; problem->apply_vol_ijacobian.qfunction = IJacobian_Newtonian_Prim; problem->apply_vol_ijacobian.qfunction_loc = IJacobian_Newtonian_Prim_loc; problem->apply_inflow.qfunction = BoundaryIntegral_Prim; problem->apply_inflow.qfunction_loc = BoundaryIntegral_Prim_loc; problem->apply_inflow_jacobian.qfunction = BoundaryIntegral_Jacobian_Prim; problem->apply_inflow_jacobian.qfunction_loc = BoundaryIntegral_Jacobian_Prim_loc; break; } // -- Physics PetscCall(PetscOptionsScalar("-cv", "Heat capacity at constant volume", NULL, cv, &cv, NULL)); PetscCall(PetscOptionsScalar("-cp", "Heat capacity at constant pressure", NULL, cp, &cp, NULL)); PetscCall(PetscOptionsScalar("-lambda", "Stokes hypothesis second viscosity coefficient", NULL, lambda, &lambda, NULL)); PetscCall(PetscOptionsScalar("-mu", "Shear dynamic viscosity coefficient", NULL, mu, &mu, NULL)); PetscCall(PetscOptionsScalar("-k", "Thermal conductivity", NULL, k, &k, NULL)); PetscInt dim = problem->dim; PetscCall(PetscOptionsDeprecated("-g", "-gravity", "libCEED 0.11.1", NULL)); PetscCall(PetscOptionsRealArray("-g", "Gravitational acceleration vector", NULL, g, &dim, &given_option)); dim = problem->dim; PetscCall(PetscOptionsRealArray("-gravity", "Gravitational acceleration vector", NULL, g, &dim, &given_option)); if (given_option) PetscCheck(dim == 3, comm, PETSC_ERR_ARG_SIZ, "Gravity vector must be size 3, %" PetscInt_FMT " values given", dim); PetscCall(PetscOptionsEnum("-stab", "Stabilization method", NULL, StabilizationTypes, (PetscEnum)(stab = STAB_NONE), (PetscEnum *)&stab, NULL)); PetscCall(PetscOptionsScalar("-c_tau", "Stabilization constant", NULL, c_tau, &c_tau, NULL)); PetscCall(PetscOptionsScalar("-Ctau_t", "Stabilization time constant", NULL, Ctau_t, &Ctau_t, NULL)); PetscCall(PetscOptionsScalar("-Ctau_v", "Stabilization viscous constant", NULL, Ctau_v, &Ctau_v, NULL)); PetscCall(PetscOptionsScalar("-Ctau_C", "Stabilization continuity constant", NULL, Ctau_C, &Ctau_C, NULL)); PetscCall(PetscOptionsScalar("-Ctau_M", "Stabilization momentum constant", NULL, Ctau_M, &Ctau_M, NULL)); PetscCall(PetscOptionsScalar("-Ctau_E", "Stabilization energy constant", NULL, Ctau_E, &Ctau_E, NULL)); PetscCall(PetscOptionsBool("-implicit", "Use implicit (IFunction) formulation", NULL, implicit = PETSC_FALSE, &implicit, NULL)); PetscCall(PetscOptionsBool("-newtonian_unit_tests", "Run Newtonian unit tests", NULL, unit_tests = PETSC_FALSE, &unit_tests, NULL)); dim = 3; PetscCall(PetscOptionsScalar("-reference_pressure", "Reference/initial pressure", NULL, reference.pressure, &reference.pressure, NULL)); PetscCall(PetscOptionsScalarArray("-reference_velocity", "Reference/initial velocity", NULL, reference.velocity, &dim, NULL)); PetscCall(PetscOptionsScalar("-reference_temperature", "Reference/initial temperature", NULL, reference.temperature, &reference.temperature, NULL)); // -- Units PetscCall(PetscOptionsScalar("-units_meter", "1 meter in scaled length units", NULL, meter, &meter, NULL)); meter = fabs(meter); PetscCall(PetscOptionsScalar("-units_kilogram", "1 kilogram in scaled mass units", NULL, kilogram, &kilogram, NULL)); kilogram = fabs(kilogram); PetscCall(PetscOptionsScalar("-units_second", "1 second in scaled time units", NULL, second, &second, NULL)); second = fabs(second); PetscCall(PetscOptionsScalar("-units_Kelvin", "1 Kelvin in scaled temperature units", NULL, Kelvin, &Kelvin, NULL)); Kelvin = fabs(Kelvin); // -- Warnings PetscCheck(!(state_var == STATEVAR_PRIMITIVE && !implicit), comm, PETSC_ERR_SUP, "RHSFunction is not provided for primitive variables (use -state_var primitive only with -implicit)\n"); PetscCall(PetscOptionsScalar("-idl_decay_time", "Characteristic timescale of the pressure deviance decay. The timestep is good starting point", NULL, idl_decay_time, &idl_decay_time, &idl_enable)); PetscCheck(!(idl_enable && idl_decay_time == 0), comm, PETSC_ERR_SUP, "idl_decay_time may not be equal to zero."); if (idl_decay_time < 0) idl_enable = PETSC_FALSE; PetscCall(PetscOptionsScalar("-idl_start", "Start of IDL in the x direction", NULL, idl_start, &idl_start, NULL)); PetscCall(PetscOptionsScalar("-idl_length", "Length of IDL in the positive x direction", NULL, idl_length, &idl_length, NULL)); PetscOptionsEnd(); if (stab == STAB_SUPG && !implicit) problem->create_mass_operator = CreateKSPMassOperator_NewtonianStabilized; // ------------------------------------------------------ // Set up the PETSc context // ------------------------------------------------------ // -- Define derived units Pascal = kilogram / (meter * PetscSqr(second)); J_per_kg_K = PetscSqr(meter) / (PetscSqr(second) * Kelvin); m_per_squared_s = meter / PetscSqr(second); W_per_m_K = kilogram * meter / (pow(second, 3) * Kelvin); user->units->meter = meter; user->units->kilogram = kilogram; user->units->second = second; user->units->Kelvin = Kelvin; user->units->Pascal = Pascal; user->units->J_per_kg_K = J_per_kg_K; user->units->m_per_squared_s = m_per_squared_s; user->units->W_per_m_K = W_per_m_K; // ------------------------------------------------------ // Set up the libCEED context // ------------------------------------------------------ // -- Scale variables to desired units cv *= J_per_kg_K; cp *= J_per_kg_K; mu *= Pascal * second; k *= W_per_m_K; for (PetscInt i = 0; i < 3; i++) domain_size[i] *= meter; for (PetscInt i = 0; i < 3; i++) g[i] *= m_per_squared_s; reference.pressure *= Pascal; for (PetscInt i = 0; i < 3; i++) reference.velocity[i] *= meter / second; reference.temperature *= Kelvin; problem->dm_scale = meter; // -- Solver Settings user->phys->implicit = implicit; user->phys->state_var = state_var; // -- QFunction Context newtonian_ig_ctx->lambda = lambda; newtonian_ig_ctx->mu = mu; newtonian_ig_ctx->k = k; newtonian_ig_ctx->cv = cv; newtonian_ig_ctx->cp = cp; newtonian_ig_ctx->c_tau = c_tau; newtonian_ig_ctx->Ctau_t = Ctau_t; newtonian_ig_ctx->Ctau_v = Ctau_v; newtonian_ig_ctx->Ctau_C = Ctau_C; newtonian_ig_ctx->Ctau_M = Ctau_M; newtonian_ig_ctx->Ctau_E = Ctau_E; newtonian_ig_ctx->idl_pressure = reference.pressure; newtonian_ig_ctx->stabilization = stab; newtonian_ig_ctx->is_implicit = implicit; newtonian_ig_ctx->state_var = state_var; newtonian_ig_ctx->idl_enable = idl_enable; newtonian_ig_ctx->idl_amplitude = 1 / (idl_decay_time * second); newtonian_ig_ctx->idl_start = idl_start * meter; newtonian_ig_ctx->idl_length = idl_length * meter; PetscCall(PetscArraycpy(newtonian_ig_ctx->g, g, 3)); // -- Setup Context setup_context->reference = reference; setup_context->gas = *newtonian_ig_ctx; setup_context->lx = domain_size[0]; setup_context->ly = domain_size[1]; setup_context->lz = domain_size[2]; setup_context->time = 0; PetscCallCeed(ceed, CeedQFunctionContextCreate(user->ceed, &problem->ics.qfunction_context)); PetscCallCeed(ceed, CeedQFunctionContextSetData(problem->ics.qfunction_context, CEED_MEM_HOST, CEED_USE_POINTER, sizeof(*setup_context), setup_context)); PetscCallCeed(ceed, CeedQFunctionContextSetDataDestroy(problem->ics.qfunction_context, CEED_MEM_HOST, FreeContextPetsc)); PetscCallCeed(ceed, CeedQFunctionContextRegisterDouble(problem->ics.qfunction_context, "evaluation time", offsetof(struct SetupContext_, time), 1, "Time of evaluation")); PetscCallCeed(ceed, CeedQFunctionContextCreate(user->ceed, &newtonian_ig_context)); PetscCallCeed(ceed, CeedQFunctionContextSetData(newtonian_ig_context, CEED_MEM_HOST, CEED_USE_POINTER, sizeof(*newtonian_ig_ctx), newtonian_ig_ctx)); PetscCallCeed(ceed, CeedQFunctionContextSetDataDestroy(newtonian_ig_context, CEED_MEM_HOST, FreeContextPetsc)); PetscCallCeed(ceed, CeedQFunctionContextRegisterDouble(newtonian_ig_context, "timestep size", offsetof(struct NewtonianIdealGasContext_, dt), 1, "Size of timestep, delta t")); PetscCallCeed(ceed, CeedQFunctionContextRegisterDouble(newtonian_ig_context, "ijacobian time shift", offsetof(struct NewtonianIdealGasContext_, ijacobian_time_shift), 1, "Shift for mass matrix in IJacobian")); PetscCallCeed(ceed, CeedQFunctionContextRegisterDouble(newtonian_ig_context, "solution time", offsetof(struct NewtonianIdealGasContext_, time), 1, "Current solution time")); problem->apply_vol_rhs.qfunction_context = newtonian_ig_context; PetscCallCeed(ceed, CeedQFunctionContextReferenceCopy(newtonian_ig_context, &problem->apply_vol_ifunction.qfunction_context)); PetscCallCeed(ceed, CeedQFunctionContextReferenceCopy(newtonian_ig_context, &problem->apply_vol_ijacobian.qfunction_context)); PetscCallCeed(ceed, CeedQFunctionContextReferenceCopy(newtonian_ig_context, &problem->apply_inflow.qfunction_context)); PetscCallCeed(ceed, CeedQFunctionContextReferenceCopy(newtonian_ig_context, &problem->apply_inflow_jacobian.qfunction_context)); if (bc->num_freestream > 0) PetscCall(FreestreamBCSetup(problem, dm, ctx, newtonian_ig_ctx, &reference)); if (bc->num_outflow > 0) PetscCall(OutflowBCSetup(problem, dm, ctx, newtonian_ig_ctx, &reference)); if (bc->num_slip > 0) PetscCall(SlipBCSetup(problem, dm, ctx, newtonian_ig_context)); if (unit_tests) { PetscCall(UnitTests_Newtonian(user, newtonian_ig_ctx)); } PetscFunctionReturn(PETSC_SUCCESS); } PetscErrorCode PRINT_NEWTONIAN(User user, ProblemData problem, AppCtx app_ctx) { MPI_Comm comm = user->comm; Ceed ceed = user->ceed; NewtonianIdealGasContext newtonian_ctx; PetscFunctionBeginUser; PetscCallCeed(ceed, CeedQFunctionContextGetData(problem->apply_vol_rhs.qfunction_context, CEED_MEM_HOST, &newtonian_ctx)); PetscCall(PetscPrintf(comm, " Problem:\n" " Problem Name : %s\n" " Stabilization : %s\n", app_ctx->problem_name, StabilizationTypes[newtonian_ctx->stabilization])); PetscCallCeed(ceed, CeedQFunctionContextRestoreData(problem->apply_vol_rhs.qfunction_context, &newtonian_ctx)); PetscFunctionReturn(PETSC_SUCCESS); }