1 // Copyright (c) 2017-2022, Lawrence Livermore National Security, LLC and other CEED contributors. 2 // All Rights Reserved. See the top-level LICENSE and NOTICE files for details. 3 // 4 // SPDX-License-Identifier: BSD-2-Clause 5 // 6 // This file is part of CEED: http://github.com/ceed 7 8 /// @file 9 /// Utility functions for setting up problems using the Newtonian Qfunction 10 11 #include "../navierstokes.h" 12 #include "../qfunctions/setupgeo.h" 13 #include "../qfunctions/newtonian.h" 14 15 // Compute relative error |a - b|/|s| 16 static PetscErrorCode CheckPrimitiveWithTolerance(StatePrimitive sY, 17 StatePrimitive aY, StatePrimitive bY, const char *name, PetscReal rtol_pressure, 18 PetscReal rtol_velocity, PetscReal rtol_temperature) { 19 20 PetscFunctionBeginUser; 21 StatePrimitive eY; // relative error 22 eY.pressure = (aY.pressure - bY.pressure) / sY.pressure; 23 PetscScalar u = sqrt(Square(sY.velocity[0]) + Square(sY.velocity[1]) + Square( 24 sY.velocity[2])); 25 for (int j=0; j<3; j++) eY.velocity[j] = (aY.velocity[j] - bY.velocity[j]) / u; 26 eY.temperature = (aY.temperature - bY.temperature) / sY.temperature; 27 if (fabs(eY.pressure) > rtol_pressure) 28 printf("%s: pressure error %g\n", name, eY.pressure); 29 for (int j=0; j<3; j++) 30 if (fabs(eY.velocity[j]) > rtol_velocity) 31 printf("%s: velocity[%d] error %g\n", name, j, eY.velocity[j]); 32 if (fabs(eY.temperature) > rtol_temperature) 33 printf("%s: temperature error %g\n", name, eY.temperature); 34 PetscFunctionReturn(0); 35 } 36 37 static PetscErrorCode UnitTests_Newtonian(User user, 38 NewtonianIdealGasContext gas) { 39 40 Units units = user->units; 41 const CeedScalar eps = 1e-6; 42 const CeedScalar kg = units->kilogram, m = units->meter, sec = units->second, 43 Pascal = units->Pascal; 44 45 PetscFunctionBeginUser; 46 const CeedScalar rho = 1.2 * kg / (m*m*m), u = 40 * m/sec; 47 CeedScalar U[5] = {rho, rho*u, rho *u*1.1, rho *u*1.2, 250e3*Pascal + .5*rho *u*u}; 48 const CeedScalar x[3] = {.1, .2, .3}; 49 State s = StateFromU(gas, U, x); 50 for (int i=0; i<8; i++) { 51 CeedScalar dU[5] = {0}, dx[3] = {0}; 52 if (i < 5) dU[i] = U[i]; 53 else dx[i-5] = x[i-5]; 54 State ds = StateFromU_fwd(gas, s, dU, x, dx); 55 for (int j=0; j<5; j++) dU[j] = (1 + eps * (i == j)) * U[j]; 56 for (int j=0; j<3; j++) dx[j] = (1 + eps * (i == 5 + j)) * x[j]; 57 State t = StateFromU(gas, dU, dx); 58 StatePrimitive dY; 59 dY.pressure = (t.Y.pressure - s.Y.pressure) / eps; 60 for (int j=0; j<3; j++) 61 dY.velocity[j] = (t.Y.velocity[j] - s.Y.velocity[j]) / eps; 62 dY.temperature = (t.Y.temperature - s.Y.temperature) / eps; 63 char buf[128]; 64 snprintf(buf, sizeof buf, "StateFromU_fwd i=%d", i); 65 PetscCall(CheckPrimitiveWithTolerance(dY, ds.Y, dY, buf, 5e-6, 1e-6, 1e-6)); 66 } 67 PetscFunctionReturn(0); 68 } 69 70 PetscErrorCode NS_NEWTONIAN_IG(ProblemData *problem, DM dm, void *ctx) { 71 72 SetupContext setup_context; 73 User user = *(User *)ctx; 74 StabilizationType stab; 75 MPI_Comm comm = PETSC_COMM_WORLD; 76 PetscBool implicit; 77 PetscBool has_curr_time = PETSC_FALSE, unit_tests; 78 PetscInt ierr; 79 NewtonianIdealGasContext newtonian_ig_ctx; 80 CeedQFunctionContext newtonian_ig_context; 81 82 PetscFunctionBeginUser; 83 ierr = PetscCalloc1(1, &setup_context); CHKERRQ(ierr); 84 ierr = PetscCalloc1(1, &newtonian_ig_ctx); CHKERRQ(ierr); 85 86 // ------------------------------------------------------ 87 // Setup Generic Newtonian IG Problem 88 // ------------------------------------------------------ 89 problem->dim = 3; 90 problem->q_data_size_vol = 10; 91 problem->q_data_size_sur = 10; 92 problem->jac_data_size_sur = 11; 93 problem->setup_vol.qfunction = Setup; 94 problem->setup_vol.qfunction_loc = Setup_loc; 95 problem->ics.qfunction = ICsNewtonianIG; 96 problem->ics.qfunction_loc = ICsNewtonianIG_loc; 97 problem->setup_sur.qfunction = SetupBoundary; 98 problem->setup_sur.qfunction_loc = SetupBoundary_loc; 99 problem->apply_vol_rhs.qfunction = RHSFunction_Newtonian; 100 problem->apply_vol_rhs.qfunction_loc = RHSFunction_Newtonian_loc; 101 problem->apply_vol_ifunction.qfunction = IFunction_Newtonian; 102 problem->apply_vol_ifunction.qfunction_loc = IFunction_Newtonian_loc; 103 problem->apply_vol_ijacobian.qfunction = IJacobian_Newtonian; 104 problem->apply_vol_ijacobian.qfunction_loc = IJacobian_Newtonian_loc; 105 problem->apply_inflow.qfunction = BoundaryIntegral; 106 problem->apply_inflow.qfunction_loc = BoundaryIntegral_loc; 107 problem->apply_inflow_jacobian.qfunction = BoundaryIntegral_Jacobian; 108 problem->apply_inflow_jacobian.qfunction_loc = BoundaryIntegral_Jacobian_loc; 109 problem->apply_outflow.qfunction = PressureOutflow; 110 problem->apply_outflow.qfunction_loc = PressureOutflow_loc; 111 problem->apply_outflow_jacobian.qfunction = PressureOutflow_Jacobian; 112 problem->apply_outflow_jacobian.qfunction_loc = PressureOutflow_Jacobian_loc; 113 problem->bc = NULL; 114 problem->bc_ctx = setup_context; 115 problem->non_zero_time = PETSC_FALSE; 116 problem->print_info = PRINT_DENSITY_CURRENT; 117 118 // ------------------------------------------------------ 119 // Create the libCEED context 120 // ------------------------------------------------------ 121 CeedScalar cv = 717.; // J/(kg K) 122 CeedScalar cp = 1004.; // J/(kg K) 123 CeedScalar g[3] = {0, 0, -9.81}; // m/s^2 124 CeedScalar lambda = -2./3.; // - 125 CeedScalar mu = 1.8e-5; // Pa s, dynamic viscosity 126 CeedScalar k = 0.02638; // W/(m K) 127 CeedScalar c_tau = 0.5; // - 128 CeedScalar Ctau_t = 1.0; // - 129 CeedScalar Ctau_v = 36.0; // TODO make function of degree 130 CeedScalar Ctau_C = 1.0; // TODO make function of degree 131 CeedScalar Ctau_M = 1.0; // TODO make function of degree 132 CeedScalar Ctau_E = 1.0; // TODO make function of degree 133 PetscReal domain_min[3], domain_max[3], domain_size[3]; 134 ierr = DMGetBoundingBox(dm, domain_min, domain_max); CHKERRQ(ierr); 135 for (PetscInt i=0; i<3; i++) domain_size[i] = domain_max[i] - domain_min[i]; 136 137 // ------------------------------------------------------ 138 // Create the PETSc context 139 // ------------------------------------------------------ 140 PetscScalar meter = 1; // 1 meter in scaled length units 141 PetscScalar kilogram = 1; // 1 kilogram in scaled mass units 142 PetscScalar second = 1; // 1 second in scaled time units 143 PetscScalar Kelvin = 1; // 1 Kelvin in scaled temperature units 144 PetscScalar W_per_m_K, Pascal, J_per_kg_K, m_per_squared_s; 145 146 // ------------------------------------------------------ 147 // Command line Options 148 // ------------------------------------------------------ 149 PetscOptionsBegin(comm, NULL, "Options for Newtonian Ideal Gas based problem", 150 NULL); 151 152 // -- Physics 153 ierr = PetscOptionsScalar("-cv", "Heat capacity at constant volume", 154 NULL, cv, &cv, NULL); CHKERRQ(ierr); 155 ierr = PetscOptionsScalar("-cp", "Heat capacity at constant pressure", 156 NULL, cp, &cp, NULL); CHKERRQ(ierr); 157 ierr = PetscOptionsScalar("-lambda", 158 "Stokes hypothesis second viscosity coefficient", 159 NULL, lambda, &lambda, NULL); CHKERRQ(ierr); 160 ierr = PetscOptionsScalar("-mu", "Shear dynamic viscosity coefficient", 161 NULL, mu, &mu, NULL); CHKERRQ(ierr); 162 ierr = PetscOptionsScalar("-k", "Thermal conductivity", 163 NULL, k, &k, NULL); CHKERRQ(ierr); 164 165 PetscInt dim = problem->dim; 166 ierr = PetscOptionsRealArray("-g", "Gravitational acceleration", 167 NULL, g, &dim, NULL); CHKERRQ(ierr); 168 ierr = PetscOptionsEnum("-stab", "Stabilization method", NULL, 169 StabilizationTypes, (PetscEnum)(stab = STAB_NONE), 170 (PetscEnum *)&stab, NULL); CHKERRQ(ierr); 171 ierr = PetscOptionsScalar("-c_tau", "Stabilization constant", 172 NULL, c_tau, &c_tau, NULL); CHKERRQ(ierr); 173 ierr = PetscOptionsScalar("-Ctau_t", "Stabilization time constant", 174 NULL, Ctau_t, &Ctau_t, NULL); CHKERRQ(ierr); 175 ierr = PetscOptionsScalar("-Ctau_v", "Stabilization viscous constant", 176 NULL, Ctau_v, &Ctau_v, NULL); CHKERRQ(ierr); 177 ierr = PetscOptionsScalar("-Ctau_C", "Stabilization continuity constant", 178 NULL, Ctau_C, &Ctau_C, NULL); CHKERRQ(ierr); 179 ierr = PetscOptionsScalar("-Ctau_M", "Stabilization momentum constant", 180 NULL, Ctau_M, &Ctau_M, NULL); CHKERRQ(ierr); 181 ierr = PetscOptionsScalar("-Ctau_E", "Stabilization energy constant", 182 NULL, Ctau_E, &Ctau_E, NULL); CHKERRQ(ierr); 183 ierr = PetscOptionsBool("-implicit", "Use implicit (IFunction) formulation", 184 NULL, implicit=PETSC_FALSE, &implicit, NULL); 185 CHKERRQ(ierr); 186 ierr = PetscOptionsBool("-newtonian_unit_tests", "Run Newtonian unit tests", 187 NULL, unit_tests=PETSC_FALSE, &unit_tests, NULL); 188 CHKERRQ(ierr); 189 190 // -- Units 191 ierr = PetscOptionsScalar("-units_meter", "1 meter in scaled length units", 192 NULL, meter, &meter, NULL); CHKERRQ(ierr); 193 meter = fabs(meter); 194 ierr = PetscOptionsScalar("-units_kilogram","1 kilogram in scaled mass units", 195 NULL, kilogram, &kilogram, NULL); CHKERRQ(ierr); 196 kilogram = fabs(kilogram); 197 ierr = PetscOptionsScalar("-units_second","1 second in scaled time units", 198 NULL, second, &second, NULL); CHKERRQ(ierr); 199 second = fabs(second); 200 ierr = PetscOptionsScalar("-units_Kelvin", 201 "1 Kelvin in scaled temperature units", 202 NULL, Kelvin, &Kelvin, NULL); CHKERRQ(ierr); 203 Kelvin = fabs(Kelvin); 204 205 // -- Warnings 206 if (stab == STAB_SUPG && !implicit) { 207 ierr = PetscPrintf(comm, 208 "Warning! Use -stab supg only with -implicit\n"); 209 CHKERRQ(ierr); 210 } 211 PetscOptionsEnd(); 212 213 // ------------------------------------------------------ 214 // Set up the PETSc context 215 // ------------------------------------------------------ 216 // -- Define derived units 217 Pascal = kilogram / (meter * PetscSqr(second)); 218 J_per_kg_K = PetscSqr(meter) / (PetscSqr(second) * Kelvin); 219 m_per_squared_s = meter / PetscSqr(second); 220 W_per_m_K = kilogram * meter / (pow(second,3) * Kelvin); 221 222 user->units->meter = meter; 223 user->units->kilogram = kilogram; 224 user->units->second = second; 225 user->units->Kelvin = Kelvin; 226 user->units->Pascal = Pascal; 227 user->units->J_per_kg_K = J_per_kg_K; 228 user->units->m_per_squared_s = m_per_squared_s; 229 user->units->W_per_m_K = W_per_m_K; 230 231 // ------------------------------------------------------ 232 // Set up the libCEED context 233 // ------------------------------------------------------ 234 // -- Scale variables to desired units 235 cv *= J_per_kg_K; 236 cp *= J_per_kg_K; 237 mu *= Pascal * second; 238 k *= W_per_m_K; 239 for (PetscInt i=0; i<3; i++) domain_size[i] *= meter; 240 for (PetscInt i=0; i<3; i++) g[i] *= m_per_squared_s; 241 problem->dm_scale = meter; 242 243 // -- Setup Context 244 setup_context->cv = cv; 245 setup_context->cp = cp; 246 setup_context->lx = domain_size[0]; 247 setup_context->ly = domain_size[1]; 248 setup_context->lz = domain_size[2]; 249 setup_context->time = 0; 250 ierr = PetscArraycpy(setup_context->g, g, 3); CHKERRQ(ierr); 251 252 // -- Solver Settings 253 user->phys->stab = stab; 254 user->phys->implicit = implicit; 255 user->phys->has_curr_time = has_curr_time; 256 257 // -- QFunction Context 258 newtonian_ig_ctx->lambda = lambda; 259 newtonian_ig_ctx->mu = mu; 260 newtonian_ig_ctx->k = k; 261 newtonian_ig_ctx->cv = cv; 262 newtonian_ig_ctx->cp = cp; 263 newtonian_ig_ctx->c_tau = c_tau; 264 newtonian_ig_ctx->Ctau_t = Ctau_t; 265 newtonian_ig_ctx->Ctau_v = Ctau_v; 266 newtonian_ig_ctx->Ctau_C = Ctau_C; 267 newtonian_ig_ctx->Ctau_M = Ctau_M; 268 newtonian_ig_ctx->Ctau_E = Ctau_E; 269 newtonian_ig_ctx->stabilization = stab; 270 newtonian_ig_ctx->is_implicit = implicit; 271 ierr = PetscArraycpy(newtonian_ig_ctx->g, g, 3); CHKERRQ(ierr); 272 273 CeedQFunctionContextCreate(user->ceed, &problem->ics.qfunction_context); 274 CeedQFunctionContextSetData(problem->ics.qfunction_context, CEED_MEM_HOST, 275 CEED_USE_POINTER, sizeof(*setup_context), setup_context); 276 CeedQFunctionContextSetDataDestroy(problem->ics.qfunction_context, 277 CEED_MEM_HOST, 278 FreeContextPetsc); 279 CeedQFunctionContextRegisterDouble(problem->ics.qfunction_context, 280 "evaluation time", 281 (char *)&setup_context->time - (char *)setup_context, 1, "Time of evaluation"); 282 283 CeedQFunctionContextCreate(user->ceed, &newtonian_ig_context); 284 CeedQFunctionContextSetData(newtonian_ig_context, CEED_MEM_HOST, 285 CEED_USE_POINTER, 286 sizeof(*newtonian_ig_ctx), newtonian_ig_ctx); 287 CeedQFunctionContextSetDataDestroy(newtonian_ig_context, CEED_MEM_HOST, 288 FreeContextPetsc); 289 CeedQFunctionContextRegisterDouble(newtonian_ig_context, "timestep size", 290 offsetof(struct NewtonianIdealGasContext_, dt), 1, "Size of timestep, delta t"); 291 CeedQFunctionContextRegisterDouble(newtonian_ig_context, "ijacobian time shift", 292 offsetof(struct NewtonianIdealGasContext_, ijacobian_time_shift), 1, 293 "Shift for mass matrix in IJacobian"); 294 problem->apply_vol_rhs.qfunction_context = newtonian_ig_context; 295 CeedQFunctionContextReferenceCopy(newtonian_ig_context, 296 &problem->apply_vol_ifunction.qfunction_context); 297 CeedQFunctionContextReferenceCopy(newtonian_ig_context, 298 &problem->apply_vol_ijacobian.qfunction_context); 299 CeedQFunctionContextReferenceCopy(newtonian_ig_context, 300 &problem->apply_inflow.qfunction_context); 301 CeedQFunctionContextReferenceCopy(newtonian_ig_context, 302 &problem->apply_inflow_jacobian.qfunction_context); 303 CeedQFunctionContextReferenceCopy(newtonian_ig_context, 304 &problem->apply_outflow.qfunction_context); 305 CeedQFunctionContextReferenceCopy(newtonian_ig_context, 306 &problem->apply_outflow_jacobian.qfunction_context); 307 308 if (unit_tests) { 309 PetscCall(UnitTests_Newtonian(user, newtonian_ig_ctx)); 310 } 311 PetscFunctionReturn(0); 312 } 313 314 PetscErrorCode PRINT_DENSITY_CURRENT(ProblemData *problem, 315 AppCtx app_ctx) { 316 MPI_Comm comm = PETSC_COMM_WORLD; 317 PetscErrorCode ierr; 318 NewtonianIdealGasContext newtonian_ctx; 319 320 PetscFunctionBeginUser; 321 CeedQFunctionContextGetData(problem->apply_vol_rhs.qfunction_context, 322 CEED_MEM_HOST, &newtonian_ctx); 323 ierr = PetscPrintf(comm, 324 " Problem:\n" 325 " Problem Name : %s\n" 326 " Stabilization : %s\n", 327 app_ctx->problem_name, StabilizationTypes[newtonian_ctx->stabilization]); 328 CHKERRQ(ierr); 329 CeedQFunctionContextRestoreData(problem->apply_vol_rhs.qfunction_context, 330 &newtonian_ctx); 331 PetscFunctionReturn(0); 332 } 333