29#include <boost/mpi.hpp>
30#include <boost/mpi/collectives/all_reduce.hpp>
31#include <boost/mpi/collectives/broadcast.hpp>
45std::unordered_map<std::string, int>
const EKVTKHandle::obs_map = {
51 if (
method ==
"update_flux_boundary_from_shape") {
54 [
this](
double v) { return v * m_conv_flux; });
60 if (
method ==
"update_density_boundary_from_shape") {
63 [
this](
double v) { return v * m_conv_density; });
64 m_instance->update_density_boundary_from_shape(
68 if (
method ==
"clear_flux_boundaries") {
72 if (
method ==
"clear_density_boundaries") {
76 if (
method ==
"save_checkpoint") {
79 save_checkpoint(path,
mode);
82 if (
method ==
"load_checkpoint") {
85 load_checkpoint(path,
mode);
122 throw std::invalid_argument(
123 "Parameter 'seed' is required for thermalized EKSpecies");
126 throw std::domain_error(
"Parameter 'seed' must be >= 0");
129 throw std::domain_error(
"Parameter 'tau' must be > 0");
132 throw std::domain_error(
"Parameter 'kT' must be >= 0");
135 throw std::domain_error(
"Parameter 'density' must be >= 0");
150void EKSpecies::load_checkpoint(std::string
const &
filename,
int mode) {
158 std::stringstream message;
159 message <<
"grid dimensions mismatch, read [" <<
read_grid_size <<
"], "
161 throw std::runtime_error(message.str());
166 auto const grid_size =
ek_obj.get_lattice().get_grid_dimensions();
167 auto const i_max = grid_size[0];
168 auto const j_max = grid_size[1];
169 auto const k_max = grid_size[2];
171 for (
int i = 0; i <
i_max; i++) {
173 for (
int k = 0; k <
k_max; k++) {
177 if (
cpnode.is_boundary_density) {
181 if (
cpnode.is_boundary_flux) {
185 if (
cpnode.is_boundary_density) {
186 ek_obj.set_node_density_boundary(ind,
cpnode.density_boundary);
188 if (
cpnode.is_boundary_flux) {
189 ek_obj.set_node_flux_boundary(ind,
cpnode.flux_boundary);
202void EKSpecies::save_checkpoint(std::string
const &
filename,
int mode) {
215 auto const on_failure = [](std::shared_ptr<CheckpointFile>
const &,
227 [&](
Utils::Vector3i const &ind) -> std::optional<EKWalberlaNodeState> {
229 auto const is_b_d =
ek_obj.get_node_is_density_boundary(ind);
230 auto const dens_b =
ek_obj.get_node_density_at_boundary(ind);
231 auto const is_b_f =
ek_obj.get_node_is_flux_boundary(ind);
232 auto const flux_b =
ek_obj.get_node_flux_at_boundary(ind);
251 auto failure =
false;
261 for (
int i = 0; i <
i_max; i++) {
263 for (
int k = 0; k <
k_max; k++) {
267 assert(1 == boost::mpi::all_reduce(comm,
static_cast<int>(!!result),
269 "Incorrect number of return values");
275 comm.recv(boost::mpi::any_source, 42,
cpnode);
280 if (
cpnode.is_boundary_density) {
284 if (
cpnode.is_boundary_flux) {
287 boost::mpi::broadcast(comm, failure, 0);
290 comm.send(0, 42, *result);
292 boost::mpi::broadcast(comm, failure, 0);
virtual void parallel_try_catch(std::function< void()> const &cb) const =0
virtual bool is_head_node() const =0
virtual boost::mpi::communicator const & get_comm() const =0
Context * context() const
Responsible context.
Handle for a checkpoint file.
void make_instance(VariantMap const ¶ms) override
Variant do_call_method(std::string const &method, VariantMap const ¶meters) override
::LatticeModel::units_map get_latice_to_md_units_conversion() const override
void do_construct(VariantMap const ¶ms) override
std::shared_ptr< ::EKinWalberlaBase > m_instance
Variant do_call_method(std::string const &method_name, VariantMap const ¶ms) override
std::vector< std::shared_ptr< EKVTKHandle > > m_vtk_writers
std::shared_ptr< LatticeWalberla > m_lattice
This file contains the defaults for ESPResSo.
void save_checkpoint_common(Context const &context, std::string const classname, std::string const &filename, int mode, F1 const write_metadata, F2 const write_data, F3 const on_failure)
void unit_test_handle(int mode)
Inject code for unit tests.
void load_checkpoint_common(Context const &context, std::string const classname, std::string const &filename, int mode, F1 const read_metadata, F2 const read_data, F3 const on_success)
T get_value(Variant const &v)
Extract value of specific type T from a Variant.
std::unordered_map< std::string, Variant > VariantMap
boost::make_recursive_variant< None, bool, int, std::size_t, double, std::string, ObjectRef, Utils::Vector3b, Utils::Vector3i, Utils::Vector2d, Utils::Vector3d, Utils::Vector4d, std::vector< int >, std::vector< double >, std::vector< boost::recursive_variant_ >, std::unordered_map< int, boost::recursive_variant_ >, std::unordered_map< std::string, boost::recursive_variant_ > >::type Variant
Possible types for parameters.
static FUNC_PREFIX double *RESTRICT int64_t const int64_t const int64_t const int64_t const int64_t const int64_t const int64_t const int64_t const int64_t const int64_t const int64_t const double grid_size
std::shared_ptr< EKinWalberlaBase > new_ek_walberla(std::shared_ptr< LatticeWalberla > const &lattice, double diffusion, double kT, double valency, Utils::Vector3d ext_efield, double density, bool advection, bool friction_coupling, bool single_precision, bool thermalized, unsigned int seed)
static SteepestDescentParameters params
Currently active steepest descent instance.
Checkpoint data for a EK node.