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