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feat: add OpenMP parallelization to IDAKLU solver for lists of input …
…parameters (#4449) * new solver option `num_solvers`, indicates how many solves run in parallel * existing `num_threads` gives total number of threads which are distributed among `num_solvers`
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145
src/pybamm/solvers/c_solvers/idaklu/IDAKLUSolverGroup.cpp
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,145 @@ | ||
| #include "IDAKLUSolverGroup.hpp" | ||
| #include <omp.h> | ||
| #include <optional> | ||
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| std::vector<Solution> IDAKLUSolverGroup::solve( | ||
| np_array t_eval_np, | ||
| np_array t_interp_np, | ||
| np_array y0_np, | ||
| np_array yp0_np, | ||
| np_array inputs) { | ||
| DEBUG("IDAKLUSolverGroup::solve"); | ||
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| // If t_interp is empty, save all adaptive steps | ||
| bool save_adaptive_steps = t_interp_np.size() == 0; | ||
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| const realtype* t_eval_begin = t_eval_np.data(); | ||
| const realtype* t_eval_end = t_eval_begin + t_eval_np.size(); | ||
| const realtype* t_interp_begin = t_interp_np.data(); | ||
| const realtype* t_interp_end = t_interp_begin + t_interp_np.size(); | ||
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| // Process the time inputs | ||
| // 1. Get the sorted and unique t_eval vector | ||
| auto const t_eval = makeSortedUnique(t_eval_begin, t_eval_end); | ||
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| // 2.1. Get the sorted and unique t_interp vector | ||
| auto const t_interp_unique_sorted = makeSortedUnique(t_interp_begin, t_interp_end); | ||
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| // 2.2 Remove the t_eval values from t_interp | ||
| auto const t_interp_setdiff = setDiff(t_interp_unique_sorted.begin(), t_interp_unique_sorted.end(), t_eval_begin, t_eval_end); | ||
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| // 2.3 Finally, get the sorted and unique t_interp vector with t_eval values removed | ||
| auto const t_interp = makeSortedUnique(t_interp_setdiff.begin(), t_interp_setdiff.end()); | ||
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| int const number_of_evals = t_eval.size(); | ||
| int const number_of_interps = t_interp.size(); | ||
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| // setDiff removes entries of t_interp that overlap with | ||
| // t_eval, so we need to check if we need to interpolate any unique points. | ||
| // This is not the same as save_adaptive_steps since some entries of t_interp | ||
| // may be removed by setDiff | ||
| bool save_interp_steps = number_of_interps > 0; | ||
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| // 3. Check if the timestepping entries are valid | ||
| if (number_of_evals < 2) { | ||
| throw std::invalid_argument( | ||
| "t_eval must have at least 2 entries" | ||
| ); | ||
| } else if (save_interp_steps) { | ||
| if (t_interp.front() < t_eval.front()) { | ||
| throw std::invalid_argument( | ||
| "t_interp values must be greater than the smallest t_eval value: " | ||
| + std::to_string(t_eval.front()) | ||
| ); | ||
| } else if (t_interp.back() > t_eval.back()) { | ||
| throw std::invalid_argument( | ||
| "t_interp values must be less than the greatest t_eval value: " | ||
| + std::to_string(t_eval.back()) | ||
| ); | ||
| } | ||
| } | ||
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| auto n_coeffs = number_of_states + number_of_parameters * number_of_states; | ||
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| // check y0 and yp0 and inputs have the correct dimensions | ||
| if (y0_np.ndim() != 2) | ||
| throw std::domain_error("y0 has wrong number of dimensions. Expected 2 but got " + std::to_string(y0_np.ndim())); | ||
| if (yp0_np.ndim() != 2) | ||
| throw std::domain_error("yp0 has wrong number of dimensions. Expected 2 but got " + std::to_string(yp0_np.ndim())); | ||
| if (inputs.ndim() != 2) | ||
| throw std::domain_error("inputs has wrong number of dimensions. Expected 2 but got " + std::to_string(inputs.ndim())); | ||
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| auto number_of_groups = y0_np.shape()[0]; | ||
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| // check y0 and yp0 and inputs have the correct shape | ||
| if (y0_np.shape()[1] != n_coeffs) | ||
| throw std::domain_error( | ||
| "y0 has wrong number of cols. Expected " + std::to_string(n_coeffs) + | ||
| " but got " + std::to_string(y0_np.shape()[1])); | ||
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| if (yp0_np.shape()[1] != n_coeffs) | ||
| throw std::domain_error( | ||
| "yp0 has wrong number of cols. Expected " + std::to_string(n_coeffs) + | ||
| " but got " + std::to_string(yp0_np.shape()[1])); | ||
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| if (yp0_np.shape()[0] != number_of_groups) | ||
| throw std::domain_error( | ||
| "yp0 has wrong number of rows. Expected " + std::to_string(number_of_groups) + | ||
| " but got " + std::to_string(yp0_np.shape()[0])); | ||
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| if (inputs.shape()[0] != number_of_groups) | ||
| throw std::domain_error( | ||
| "inputs has wrong number of rows. Expected " + std::to_string(number_of_groups) + | ||
| " but got " + std::to_string(inputs.shape()[0])); | ||
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| const std::size_t solves_per_thread = number_of_groups / m_solvers.size(); | ||
| const std::size_t remainder_solves = number_of_groups % m_solvers.size(); | ||
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| const realtype *y0 = y0_np.data(); | ||
| const realtype *yp0 = yp0_np.data(); | ||
| const realtype *inputs_data = inputs.data(); | ||
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| std::vector<SolutionData> results(number_of_groups); | ||
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| std::optional<std::exception> exception; | ||
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| omp_set_num_threads(m_solvers.size()); | ||
| #pragma omp parallel for | ||
| for (int i = 0; i < m_solvers.size(); i++) { | ||
| try { | ||
| for (int j = 0; j < solves_per_thread; j++) { | ||
| const std::size_t index = i * solves_per_thread + j; | ||
| const realtype *y = y0 + index * y0_np.shape(1); | ||
| const realtype *yp = yp0 + index * yp0_np.shape(1); | ||
| const realtype *input = inputs_data + index * inputs.shape(1); | ||
| results[index] = m_solvers[i]->solve(t_eval, t_interp, y, yp, input, save_adaptive_steps, save_interp_steps); | ||
| } | ||
| } catch (std::exception &e) { | ||
| // If an exception is thrown, we need to catch it and rethrow it outside the parallel region | ||
| #pragma omp critical | ||
| { | ||
| exception = e; | ||
| } | ||
| } | ||
| } | ||
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| if (exception.has_value()) { | ||
| py::set_error(PyExc_ValueError, exception->what()); | ||
| throw py::error_already_set(); | ||
| } | ||
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| for (int i = 0; i < remainder_solves; i++) { | ||
| const std::size_t index = number_of_groups - remainder_solves + i; | ||
| const realtype *y = y0 + index * y0_np.shape(1); | ||
| const realtype *yp = yp0 + index * yp0_np.shape(1); | ||
| const realtype *input = inputs_data + index * inputs.shape(1); | ||
| results[index] = m_solvers[i]->solve(t_eval, t_interp, y, yp, input, save_adaptive_steps, save_interp_steps); | ||
| } | ||
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| // create solutions (needs to be serial as we're using the Python GIL) | ||
| std::vector<Solution> solutions(number_of_groups); | ||
| for (int i = 0; i < number_of_groups; i++) { | ||
| solutions[i] = results[i].generate_solution(); | ||
| } | ||
| return solutions; | ||
| } |
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