int main(int argc, char **argv) {
try {
// write
std::map<std::string, int> m = { {"a",1}, {"b",2} };
std::map<std::string, std::vector<double>> mv = { {"a",{1.0, 2.0}}, {"b",{2.0, 3.0, 4.0}} };
{
h5::file file1("test_map.h5", H5F_ACC_TRUNC);
h5::group top1(file1);
h5_write(top1, "map_int", m);
h5_write(top1, "map_vec", mv);
}
// read
std::map<std::string, int> mm = { {"c",1} };
std::map<std::string, std::vector<double>> mmv = { {"c",{1.0}} };
h5::file file2("test_map.h5", H5F_ACC_RDONLY);
h5::group top2(file2);
h5_read(top2, "map_int", mm);
h5_read(top2, "map_vec", mmv);
for (auto const & val: mm) std::cout << val.first << " " << val.second << std::endl;
for (auto const & val: mmv) {
std::cout << val.first << std::endl;
for (auto const & x: val.second) std::cout << x << std::endl;
}
}
TRIQS_CATCH_AND_ABORT;
}
// -------------- HDF5 --------------------------
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, linear_mesh const &m) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "domain", m.domain());
h5_write(gr, "min", m.xmin);
h5_write(gr, "max", m.xmax);
h5_write(gr, "size", long(m.size()));
}
static void write(h5::group gr, gf_const_view<M, T, S, E> g) {
gf_h5_write_data<M, T, S, E>::invoke(gr, g); // h5_write(gr, "data", g._data);
h5_write(gr, "singularity", g._singularity);
h5_write(gr, "mesh", g._mesh);
h5_write(gr, "symmetry", g._symmetry);
h5_write(gr, "indices", g._indices);
}
static void write(h5::group gr, gf_const_view<block_index2, Target> g) {
auto const &m0 = std::get<0>(g.mesh());
auto const &m1 = std::get<1>(g.mesh());
for (int i = 0; i < m0.size(); ++i)
for (int j = 0; j < m1.size(); ++j) h5_write(gr, m0.domain().names()[i] + "_" + m1.domain().names()[j], g._data[i][j]);
h5_write(gr, "block_names", m0.domain().names());
}
std::c14::enable_if_t<is_amv_value_or_view_class<ArrayType>::value && !has_scalar_or_string_value_type<ArrayType>::value>
h5_write(h5::group gr, std::string name, ArrayType const& a) {
if (a.is_empty()) TRIQS_RUNTIME_ERROR << " Cannot save an empty array into hdf5";
auto gr2 = gr.create_group(name);
gr2.write_triqs_hdf5_data_scheme(a);
// save the shape
array<int, 1> sha(ArrayType::rank);
for (int u = 0; u < ArrayType::rank; ++u) sha(u) = a.shape()[u];
h5_write(gr2, "shape", sha);
#ifndef __cpp_generic_lambdas
foreach(a, h5_impl::_save_lambda<ArrayType>{a, gr2});
#else
foreach(a, [&](auto... is) { h5_write(gr2, h5_impl::_h5_name(is...), a(is...)); });
#endif
}
/// HDF5 interface
friend void h5_write (h5::group g, std::string const & name, mc_generic const & mc){
auto gr = g.create_group(name);
h5_write(gr,"moves", mc.AllMoves);
h5_write(gr,"measures", mc.AllMeasures);
h5_write(gr,"length_monte_carlo_cycle", mc.Length_MC_Cycle);
h5_write(gr,"number_cycle_requested", mc.NCycles);
h5_write(gr,"number_warming_cycle_requested", mc.NWarmIterations);
h5_write(gr,"number_cycle_done", mc.NC);
h5_write(gr,"number_measure_done", mc.nmeasures);
h5_write(gr,"sign", mc.sign);
h5_write(gr,"sum_sign", mc.sum_sign);
}
//------------------------------------------------------------
// MAIN
//------------------------------------------------------------
int main(int argc, char* argv[]) {
// initialize mpi
boost::mpi::environment env(argc, argv);
boost::mpi::communicator world;
// greeting
if (world.rank() == 0) std::cout << "Random walk calculation" << std::endl;
// prepare the MC parameters
int N_Cycles = 100000;
int Length_Cycle = 100;
int N_Warmup_Cycles = 0;
std::string Random_Name = "";
int Random_Seed = 374982 + world.rank() * 273894;
int Verbosity = (world.rank() == 0 ? 3 : 0);
int xmax=floor(4*sqrt(Length_Cycle) ); //max of the position registered in the histogram
double pl=1.5, pr=1; //non normalized probabilities for proposing a left or right move
h5::file file("params.h5",H5F_ACC_TRUNC);
h5_write(file,"pr",make_array(pr));
h5_write(file,"pl",make_array(pl));
h5_write(file,"xmax",make_array(xmax));
h5_write(file,"N_Cycles",make_array(N_Cycles));
h5_write(file,"Length_Cycle",make_array(Length_Cycle));
// construct a Monte Carlo loop
triqs::mc_tools::mc_generic<double> IntMC(N_Cycles, Length_Cycle, N_Warmup_Cycles, Random_Name, Random_Seed, Verbosity);
// construct configuration
configuration config;
triqs::arrays::array<double,1> H(2*xmax);
H()=0;
// add moves and measures
IntMC.add_move(move_left (config, pl, pr, IntMC.rng() ), "left move", pl);
IntMC.add_move(move_right(config, pl, pr, IntMC.rng() ), "right move", pr);
IntMC.add_measure(compute_histo(config, H, xmax), "histogramn measure");
// Run and collect results
IntMC.start(1.0, triqs::utility::clock_callback(600));
IntMC.collect_results(world);
return 0;
}
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, matsubara_freq_mesh const &m) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "domain", m.domain());
h5_write(gr, "size", m.size());
if (m._positive_only) {
// kept ONLY for backward compatibility of archives
auto beta = m.domain().beta;
h5_write(gr, "min", Fermion ? M_PI / beta : 0);
h5_write(gr, "max", ((Fermion ? 1 : 0) + 2 * m.size()) * M_PI / beta);
h5_write(gr, "kind", 2);
} else { // A strange way : to preserve backward compatibility for old archive.
h5_write(gr, "start_at_0", m._positive_only);
}
}
TEST(GfCartesian, H5_RW_EvaluatorM) {
double beta = 1;
auto g = gf<cartesian_product<imfreq, imfreq>, matrix_valued>{{{beta, Fermion, 5}, {beta, Boson, 5}}, {1, 1}};
g() = 2;
h5::file file("g_nu_nuph5", H5F_ACC_TRUNC);
h5_write(file, "g", g);
gf<cartesian_product<imfreq, imfreq>, matrix_valued> g2{};
h5_read(file, "g", g2);
EXPECT_ARRAY_NEAR(g.data(), g2.data());
//EXPECT_GF_NEAR(g, g2);
auto w0 = matsubara_freq(0, beta, Fermion);
auto W10 = matsubara_freq(10, beta, Boson);
auto W0 = matsubara_freq(0, beta, Boson);
EXPECT_ARRAY_NEAR(g(w0, W0), g2(w0, W0));
EXPECT_ARRAY_NEAR(g(w0, W10), g2(w0, W10));
}
void write_array(h5::group g, std::string const& name, array_const_view<std::string, 1> V) {
std::vector<std::string> tmp(first_dim(V));
std::copy(begin(V), end(V), begin(tmp));
h5_write(g, name, tmp);
}
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, gf_mesh const &m) {
h5::group gr = fg.create_group(subgroup_name);
auto l = [gr](int N, auto const &m) { h5_write(gr, "MeshComponent" + std::to_string(N), m); };
triqs::tuple::for_each_enumerate(m.components(), l);
}
static void write(h5::group gr, gf_const_view<block_index, Target> g) {
for (size_t i = 0; i < g.mesh().size(); ++i) h5_write(gr, g.mesh().domain().names()[i], g._data[i]);
h5_write(gr, "block_names", g.mesh().domain().names());
}
// overload : special treatment for arrays of strings (one dimension only).
void write_array(h5::group g, std::string const& name, vector_const_view<std::string> V) {
std::vector<std::string> tmp(V.size());
std::copy(begin(V), end(V), begin(tmp));
h5_write(g, name, tmp);
}
// given a pointer to an object, synthesize h5_read/write function for this object
template<typename T> h5_rw_lambda_t make_h5_write_impl(T * p, std::true_type) {
return [p](h5::group F, std::string const &Name) {h5_write(F,Name, *p);};
}
template <typename... Is> void operator()(Is const&... is) const { h5_write(g, _h5_name(is...), a(is...)); }
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, matsubara_domain const &d) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "beta", d.beta);
h5_write(gr, "statistic", (d.statistic == Fermion ? "F" : "B"));
}
static void write(h5::group gr, gf_const_view<block_index, Target, Opt> g) {
for (size_t i = 0; i < g.mesh().size(); ++i) h5_write(gr, g.mesh().domain().names()[i], g._data[i]);
// h5_write(gr,"symmetry",g._symmetry);
}
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, gf_mesh const &m) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "domain", m.domain());
h5_write(gr, "size", long(m.size()));
h5_write(gr, "positive_freq_only", (m._positive_only?1:0));
}
template <typename... T> void h5_write(h5::group gr, std::string const &name, std::variant<T...> const &v) {
visit([&](auto const &x) { h5_write(gr, name, x); }, v);
}
void h5_write (triqs::h5::group fg, std::string subgroup_name, block_matrix<T> const & c) {
triqs::h5::group gr = fg.create_group(subgroup_name);
h5_write(gr,"block_names",c.block_names);
h5_write(gr,"matrix_vec",c.matrix_vec);
h5_write_attribute(gr, "TRIQS_HDF5_data_scheme", get_triqs_hdf5_data_scheme(c));
}
template <typename G> static void invoke(h5::group gr, G const &g) {
if (!is_gf_real(g))
h5_write(gr, "data", g.data());
else
h5_write(gr, "data", array<double, 3>(real(g.data())));
}
void collect_results(boost::mpi::communicator const &c) {
H/=tot;
h5::file file("histo.h5",H5F_ACC_TRUNC);
h5_write(file,"H",H);
}
// HDF5 interface
friend void h5_write (h5::group g, std::string const & name, measure_set const & ms) {
auto gr = g.create_group(name);
for (auto & p : ms.m_map) h5_write(gr,p.first, p.second);
}
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, discrete_mesh const &m) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "domain", m.domain());
}
/// Write into HDF5
friend void h5_write (tqa::h5::group_or_file fg, std::string subgroup_name, discrete_mesh const & m) {
tqa::h5::group_or_file gr = fg.create_group(subgroup_name);
h5_write(gr,"domain",m.domain());
}
template <typename G> static void invoke(h5::group gr, G const &g) { h5_write(gr, "data", g.data()); }
/// Write into HDF5
friend void h5_write(h5::group fg, std::string subgroup_name, gf_mesh const& m) {
h5::group gr = fg.create_group(subgroup_name);
h5_write(gr, "dims", m.dims.to_vector());
}
friend void h5_write(h5::group fg, std::string subgroup_name, tail_impl const &t) {
auto gr = fg.create_group(subgroup_name);
h5_write(gr, "omin", t.omin);
h5_write(gr, "mask", t._mask);
h5_write(gr, "data", t._data);
}