// SPDX-FileCopyrightText: Copyright (c) 2017-2024, HONEE contributors. // SPDX-License-Identifier: Apache-2.0 OR BSD-2-Clause /// @file /// Structs and helper functions to evaluate data-driven subgrid-stress modeling /// See 'Invariant data-driven subgrid stress modeling in the strain-rate eigenframe for large eddy simulation' 2022 and 'S-frame discrepancy /// correction models for data-informed Reynolds stress closure' 2022 #include #include "newtonian_state.h" #include "newtonian_types.h" #include "sgs_dd_utils.h" #include "utils.h" #include "utils_eigensolver_jacobi.h" typedef struct SgsDDContext_ *SgsDDContext; struct SgsDDContext_ { CeedInt num_inputs, num_outputs; CeedInt num_layers; CeedInt num_neurons; CeedScalar alpha; struct NewtonianIdealGasContext_ gas; struct { size_t bias1, bias2; size_t weight1, weight2; size_t out_scaling; } offsets; size_t total_bytes; CeedScalar data[1]; }; CEED_QFUNCTION_HELPER void LeakyReLU(CeedScalar *x, const CeedScalar alpha, const CeedInt N) { for (CeedInt i = 0; i < N; i++) x[i] *= (x[i] < 0 ? alpha : 1.); } CEED_QFUNCTION_HELPER void DataDrivenInference(const CeedScalar *inputs, CeedScalar *outputs, SgsDDContext sgsdd_ctx) { const CeedInt num_neurons = sgsdd_ctx->num_neurons; const CeedInt num_inputs = sgsdd_ctx->num_inputs; const CeedInt num_outputs = sgsdd_ctx->num_outputs; const CeedScalar alpha = sgsdd_ctx->alpha; const CeedScalar *bias1 = &sgsdd_ctx->data[sgsdd_ctx->offsets.bias1]; const CeedScalar *bias2 = &sgsdd_ctx->data[sgsdd_ctx->offsets.bias2]; const CeedScalar *weight1 = &sgsdd_ctx->data[sgsdd_ctx->offsets.weight1]; const CeedScalar *weight2 = &sgsdd_ctx->data[sgsdd_ctx->offsets.weight2]; CeedScalar V[20] = {0.}; CopyN(bias1, V, num_neurons); MatVecNM(weight1, inputs, num_neurons, num_inputs, CEED_NOTRANSPOSE, V); LeakyReLU(V, alpha, num_neurons); CopyN(bias2, outputs, num_outputs); MatVecNM(weight2, V, num_outputs, num_neurons, CEED_NOTRANSPOSE, outputs); } CEED_QFUNCTION_HELPER void ComputeSgsDD_Fused(const CeedScalar grad_velo_aniso[3][3], const CeedScalar km_A_ij[6], const CeedScalar delta, const CeedScalar viscosity, CeedScalar kmsgs_stress[6], SgsDDContext sgsdd_ctx) { CeedScalar inputs[6], grad_velo_magnitude, eigenvectors[3][3], sgs_sframe_sym[6] = {0.}, new_bounds[6][2]; // Copying new_bounds because Sycl online compiler doesn't like direct casting the pointer CopyN(&sgsdd_ctx->data[sgsdd_ctx->offsets.out_scaling], (CeedScalar *)new_bounds, 12); ComputeSgsDDInputs(grad_velo_aniso, km_A_ij, delta, viscosity, eigenvectors, inputs, &grad_velo_magnitude); DataDrivenInference(inputs, sgs_sframe_sym, sgsdd_ctx); ComputeSgsDDOutputs(sgs_sframe_sym, delta, eigenvectors, new_bounds, grad_velo_magnitude, kmsgs_stress); } // @brief Calculate subgrid stress at nodes using anisotropic data-driven model CEED_QFUNCTION_HELPER int ComputeSgsDDNodal_Fused(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out, StateVariable state_var) { const CeedScalar(*q)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[0]; const CeedScalar(*grad_velo)[3][CEED_Q_VLA] = (const CeedScalar(*)[3][CEED_Q_VLA])in[2]; const CeedScalar(*A_ij_delta)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[3]; const CeedScalar(*inv_multiplicity) = (const CeedScalar(*))in[4]; CeedScalar(*v)[CEED_Q_VLA] = (CeedScalar(*)[CEED_Q_VLA])out[0]; const SgsDDContext sgsdd_ctx = (SgsDDContext)ctx; const NewtonianIdealGasContext gas = &sgsdd_ctx->gas; CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) { const CeedScalar qi[5] = {q[0][i], q[1][i], q[2][i], q[3][i], q[4][i]}; const CeedScalar grad_velo_aniso[3][3] = { {grad_velo[0][0][i], grad_velo[0][1][i], grad_velo[0][2][i]}, {grad_velo[1][0][i], grad_velo[1][1][i], grad_velo[1][2][i]}, {grad_velo[2][0][i], grad_velo[2][1][i], grad_velo[2][2][i]} }; const CeedScalar km_A_ij[6] = {A_ij_delta[0][i], A_ij_delta[1][i], A_ij_delta[2][i], A_ij_delta[3][i], A_ij_delta[4][i], A_ij_delta[5][i]}; const CeedScalar delta = A_ij_delta[6][i]; const State s = StateFromQ(gas, qi, state_var); CeedScalar km_sgs[6]; ComputeSgsDD_Fused(grad_velo_aniso, km_A_ij, delta, gas->mu / s.U.density, km_sgs, sgsdd_ctx); for (int j = 0; j < 6; j++) v[j][i] = inv_multiplicity[i] * km_sgs[j]; } return 0; } CEED_QFUNCTION(ComputeSgsDDNodal_Prim)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSgsDDNodal_Fused(ctx, Q, in, out, STATEVAR_PRIMITIVE); } CEED_QFUNCTION(ComputeSgsDDNodal_Conserv)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSgsDDNodal_Fused(ctx, Q, in, out, STATEVAR_CONSERVATIVE); } CEED_QFUNCTION(ComputeSgsDDNodal_Entropy)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSgsDDNodal_Fused(ctx, Q, in, out, STATEVAR_ENTROPY); } // @brief Calculate inputs to anisotropic data-driven model CEED_QFUNCTION_HELPER int ComputeSgsDDNodal_Sequential_Inputs(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out, StateVariable state_var) { const CeedScalar(*q)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[0]; const CeedScalar(*grad_velo)[3][CEED_Q_VLA] = (const CeedScalar(*)[3][CEED_Q_VLA])in[1]; const CeedScalar(*A_ij_delta)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[2]; const CeedScalar(*inv_multiplicity) = (const CeedScalar(*))in[3]; CeedScalar(*eigenvectors_stored) = out[0]; CeedScalar(*model_inputs)[CEED_Q_VLA] = (CeedScalar(*)[CEED_Q_VLA])out[1]; const SgsDDContext sgsdd_ctx = (SgsDDContext)ctx; const NewtonianIdealGasContext gas = &sgsdd_ctx->gas; CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) { const CeedScalar qi[5] = {q[0][i], q[1][i], q[2][i], q[3][i], q[4][i]}; const CeedScalar grad_velo_aniso[3][3] = { {grad_velo[0][0][i], grad_velo[0][1][i], grad_velo[0][2][i]}, {grad_velo[1][0][i], grad_velo[1][1][i], grad_velo[1][2][i]}, {grad_velo[2][0][i], grad_velo[2][1][i], grad_velo[2][2][i]} }; const CeedScalar km_A_ij[6] = {A_ij_delta[0][i], A_ij_delta[1][i], A_ij_delta[2][i], A_ij_delta[3][i], A_ij_delta[4][i], A_ij_delta[5][i]}; const CeedScalar delta = A_ij_delta[6][i]; const State s = StateFromQ(gas, qi, state_var); CeedScalar model_inputs_i[6], grad_velo_magnitude, eigenvectors[3][3]; ComputeSgsDDInputs(grad_velo_aniso, km_A_ij, delta, gas->mu / s.U.density, eigenvectors, model_inputs_i, &grad_velo_magnitude); ScaleN(model_inputs_i, inv_multiplicity[i], 6); StoredValuesPack(Q, i, 0, 6, model_inputs_i, (CeedScalar *)model_inputs); StoredValuesPack(Q, i, 0, 9, (const CeedScalar *)eigenvectors, eigenvectors_stored); StoredValuesPack(Q, i, 9, 1, &grad_velo_magnitude, eigenvectors_stored); } return CEED_ERROR_SUCCESS; } CEED_QFUNCTION(ComputeSgsDDNodal_Sequential_Inputs_Prim)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSgsDDNodal_Sequential_Inputs(ctx, Q, in, out, STATEVAR_PRIMITIVE); } CEED_QFUNCTION(ComputeSgsDDNodal_Sequential_Inputs_Conserv)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSgsDDNodal_Sequential_Inputs(ctx, Q, in, out, STATEVAR_CONSERVATIVE); } CEED_QFUNCTION(ComputeSgsDDNodal_Sequential_Inputs_Entropy)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return ComputeSgsDDNodal_Sequential_Inputs(ctx, Q, in, out, STATEVAR_ENTROPY); } // @brief Runs inference on the data-driven model, used predominantsly for testing and validation CEED_QFUNCTION(ComputeSgsDDNodal_Sequential_Inference)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { const CeedScalar(*model_inputs) = in[0]; const CeedScalar(*inv_multiplicity) = in[1]; CeedScalar(*model_outputs) = out[0]; const SgsDDContext sgsdd_ctx = (SgsDDContext)ctx; CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) { CeedScalar model_inputs_i[6], model_outputs_i[6]; StoredValuesUnpack(Q, i, 0, 6, (const CeedScalar *)model_inputs, model_inputs_i); DataDrivenInference(model_inputs_i, model_outputs_i, sgsdd_ctx); ScaleN(model_outputs_i, inv_multiplicity[i], 6); StoredValuesPack(Q, i, 0, 6, model_outputs_i, model_outputs); } return CEED_ERROR_SUCCESS; } // @brief Calculates SGS from outputs of anisotropic data-driven model CEED_QFUNCTION(ComputeSgsDDNodal_Sequential_Outputs)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { const CeedScalar(*model_outputs) = in[0]; const CeedScalar(*A_ij_delta)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[1]; const CeedScalar(*inv_multiplicity) = (const CeedScalar(*))in[2]; const CeedScalar(*eigenvectors_stored) = in[3]; CeedScalar(*kmsgs_stress)[CEED_Q_VLA] = (CeedScalar(*)[CEED_Q_VLA])out[0]; const SgsDDContext sgsdd_ctx = (SgsDDContext)ctx; CeedScalar new_bounds[6][2]; CopyN(&sgsdd_ctx->data[sgsdd_ctx->offsets.out_scaling], (CeedScalar *)new_bounds, 12); CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) { CeedScalar model_outputs_i[6]; const CeedScalar delta = A_ij_delta[6][i]; StoredValuesUnpack(Q, i, 0, 6, model_outputs, model_outputs_i); CeedScalar grad_velo_magnitude, eigenvectors[3][3], kmsgs_stress_i[6]; StoredValuesUnpack(Q, i, 0, 9, eigenvectors_stored, (CeedScalar *)eigenvectors); StoredValuesUnpack(Q, i, 9, 1, eigenvectors_stored, &grad_velo_magnitude); ComputeSgsDDOutputs(model_outputs_i, delta, eigenvectors, new_bounds, grad_velo_magnitude, kmsgs_stress_i); for (int j = 0; j < 6; j++) kmsgs_stress[j][i] = inv_multiplicity[i] * kmsgs_stress_i[j]; } return CEED_ERROR_SUCCESS; } // @brief Adds subgrid stress to residual (during IFunction evaluation) CEED_QFUNCTION_HELPER int FluxSubgridStress(const StatePrimitive Y, const CeedScalar km_sgs[6], CeedScalar Flux[5][3]) { CeedScalar sgs[3][3]; KMUnpack(km_sgs, sgs); for (CeedInt j = 0; j < 3; j++) { Flux[0][j] = 0.; for (CeedInt k = 0; k < 3; k++) Flux[k + 1][j] = sgs[k][j]; Flux[4][j] = Y.velocity[0] * sgs[0][j] + Y.velocity[1] * sgs[1][j] + Y.velocity[2] * sgs[2][j]; } return 0; } CEED_QFUNCTION_HELPER int IFunction_NodalSgs(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out, StateVariable state_var) { const CeedScalar(*q)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[0]; const CeedScalar(*q_data) = in[1]; const CeedScalar(*km_sgs)[CEED_Q_VLA] = (const CeedScalar(*)[CEED_Q_VLA])in[2]; CeedScalar(*Grad_v)[5][CEED_Q_VLA] = (CeedScalar(*)[5][CEED_Q_VLA])out[0]; NewtonianIdealGasContext gas = (NewtonianIdealGasContext)ctx; CeedPragmaSIMD for (CeedInt i = 0; i < Q; i++) { const CeedScalar qi[5] = {q[0][i], q[1][i], q[2][i], q[3][i], q[4][i]}; const State s = StateFromQ(gas, qi, state_var); CeedScalar wdetJ, dXdx[3][3]; QdataUnpack_3D(Q, i, q_data, &wdetJ, dXdx); CeedScalar Flux[5][3]; const CeedScalar km_sgs_i[6] = {km_sgs[0][i], km_sgs[1][i], km_sgs[2][i], km_sgs[3][i], km_sgs[4][i], km_sgs[5][i]}; FluxSubgridStress(s.Y, km_sgs_i, Flux); for (CeedInt k = 0; k < 3; k++) { for (CeedInt j = 0; j < 5; j++) { Grad_v[k][j][i] = -wdetJ * (dXdx[k][0] * Flux[j][0] + dXdx[k][1] * Flux[j][1] + dXdx[k][2] * Flux[j][2]); } } } return 0; } CEED_QFUNCTION(IFunction_NodalSgs_Conserv)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return IFunction_NodalSgs(ctx, Q, in, out, STATEVAR_CONSERVATIVE); } CEED_QFUNCTION(IFunction_NodalSgs_Prim)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return IFunction_NodalSgs(ctx, Q, in, out, STATEVAR_PRIMITIVE); } CEED_QFUNCTION(IFunction_NodalSgs_Entropy)(void *ctx, CeedInt Q, const CeedScalar *const *in, CeedScalar *const *out) { return IFunction_NodalSgs(ctx, Q, in, out, STATEVAR_ENTROPY); }