Targeted unit tests for FunctionImpl::eval_local_only and eval_cube. More...

#include <madness/mra/mra.h>
#include <madness/mra/funcdefaults.h>
#include <madness/world/test_utilities.h>
#include <madness/tensor/tensor.h>
#include <algorithm>
#include <array>
#include <chrono>
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <limits>
#include <random>
#include <string>
#include <vector>

Include dependency graph for test_eval.cc:

Classes
class	Constant< T, NDIM >

class	Gaussian< T, NDIM >

struct	GoldenPoint

class	Oscillatory< NDIM >

Functions
template<std::size_t NDIM>
void	bench_cell (World &world, int k)

static double	eval_tol (double ref, double k_factor=1.0)

template<std::size_t NDIM>
bool	golden_check_ndim (World &world, int k, double thresh, double cx, const double raw_pt[3], double &out_ref, double &out_lo)

static bool	is_heavy (std::size_t ndim, int k, double thresh)

int	main (int argc, char **argv)

template<std::size_t NDIM>
std::vector< Vector< double, NDIM > >	random_sim_points (int n, uint64_t seed)

template<std::size_t NDIM>
int	run_batched_cell (World &world, const std::string &label, int k, double thresh, double L, const std::vector< Vector< double, NDIM > > &user_pts)

void	run_benchmark (World &world)

template<typename FunctorT , std::size_t NDIM>
int	run_correctness_cell (World &world, const std::string &label, FunctorT *raw_functor, int k, double thresh, double L, const std::vector< Vector< double, NDIM > > &user_pts)

template<std::size_t NDIM>
Vector< double, NDIM >	sim_to_user (const Vector< double, NDIM > &xsim, const Tensor< double > &cell)

template<std::size_t NDIM>
int	test_batched_ndim (World &world)

int	test_contraction_micro ()

template<std::size_t NDIM>
int	test_correctness_ndim (World &world)

int	test_general_fast_transform ()

int	test_golden_values (World &world)

int	test_output_param_overload (World &world)

int	test_scaling_factor ()

Variables
static const GoldenPoint	golden_pts []

static const bool	print_golden

static const bool	run_bench

static const bool	run_heavy

Detailed Description

Targeted unit tests for FunctionImpl::eval_local_only and eval_cube.

Covers:

correctness matrix: NDIM x k x thresh x functor x point location x ranks
golden-value characterization: pins computed values to guard silent drift
micro-test #1: contraction correctness (raw loop vs separated form)
micro-test #2: scaling factor (exp2 vs pow, cached 1/sqrt(V))

Heavy cells (NDIM==6, k>8, thresh<=1e-8) are compiled but skipped at runtime unless MADNESS_TEST_EVAL_EXHAUSTIVE=1 is set.

Function Documentation

◆ bench_cell()

template<std::size_t NDIM>

void bench_cell	(	World &	world,
		int	k
	)

References c, d, e(), madness::f, madness::WorldGopInterface::fence(), madness::FunctionFactory< T, NDIM >::functor(), madness::World::gop, k, L, NDIM, madness::World::rank(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_initial_level(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_refine(), madness::FunctionDefaults< NDIM >::set_thresh(), and madness::Vector< T, N >::size().

◆ eval_tol()

static double eval_tol	(	double	ref,
		double	k_factor = `1.0`
	)

static

References std::abs(), and e().

Referenced by run_correctness_cell().

◆ golden_check_ndim()

template<std::size_t NDIM>

bool golden_check_ndim	(	World &	world,
		int	k,
		double	thresh,
		double	cx,
		const double	raw_pt[3],
		double &	out_ref,
		double &	out_lo
	)

References d, madness::f, madness::WorldGopInterface::fence(), madness::FunctionFactory< T, NDIM >::functor(), madness::World::gop, k, L, lo, NDIM, print_golden, madness::World::rank(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_initial_level(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_refine(), madness::FunctionDefaults< NDIM >::set_thresh(), and thresh.

◆ is_heavy()

static bool is_heavy	(	std::size_t	ndim,
		int	k,
		double	thresh
	)

static

References e(), k, and thresh.

Referenced by test_correctness_ndim().

◆ main()

int main	(	int	argc,
		char **	argv
	)

References madness::WorldGopInterface::fence(), madness::finalize(), madness::World::gop, madness::initialize(), run_bench, run_benchmark(), run_heavy, madness::startup(), test_contraction_micro(), test_general_fast_transform(), test_golden_values(), test_output_param_overload(), and test_scaling_factor().

◆ random_sim_points()

template<std::size_t NDIM>

std::vector< Vector< double, NDIM > > random_sim_points	(	int	n,
		uint64_t	seed
	)

References d, dist(), NDIM, and p().

◆ run_batched_cell()

template<std::size_t NDIM>

int run_batched_cell	(	World &	world,
		const std::string &	label,
		int	k,
		double	thresh,
		double	L,
		const std::vector< Vector< double, NDIM > > &	user_pts
	)

References madness::test_output::checkpoint(), d, madness::test_output::end(), madness::f, madness::WorldGopInterface::fence(), madness::FunctionFactory< T, NDIM >::functor(), madness::World::gop, k, L, NDIM, ok(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_initial_level(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_refine(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::WorldGopInterface::sum(), and thresh.

◆ run_benchmark()

void run_benchmark ( World & world )

References madness::World::rank(), and madness::World::size().

Referenced by main().

◆ run_correctness_cell()

template<typename FunctorT , std::size_t NDIM>

int run_correctness_cell	(	World &	world,
		const std::string &	label,
		FunctorT *	raw_functor,
		int	k,
		double	thresh,
		double	L,
		const std::vector< Vector< double, NDIM > > &	user_pts
	)

References std::abs(), madness::test_output::checkpoint(), madness::test_output::end(), eval_tol(), madness::f, madness::WorldGopInterface::fence(), madness::FunctionFactory< T, NDIM >::functor(), madness::World::gop, k, L, lo, madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_initial_level(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_refine(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::WorldGopInterface::sum(), and thresh.

◆ sim_to_user()

template<std::size_t NDIM>

Vector< double, NDIM > sim_to_user	(	const Vector< double, NDIM > &	xsim,
		const Tensor< double > &	cell
	)

References d, and NDIM.

◆ test_batched_ndim()

template<std::size_t NDIM>

int test_batched_ndim ( World & world )

References c, d, e(), k, L, NDIM, p(), and thresh.

◆ test_contraction_micro()

int test_contraction_micro ( )

References std::abs(), c, madness::test_output::checkpoint(), d, dist(), e(), madness::test_output::end(), k, madness::MAXK, p(), and q().

Referenced by main().

◆ test_correctness_ndim()

template<std::size_t NDIM>

int test_correctness_ndim ( World & world )

References c, d, e(), is_heavy(), k, L, NDIM, p(), q(), run_heavy, and thresh.

◆ test_general_fast_transform()

int test_general_fast_transform ( )

References run_heavy.

Referenced by main().

◆ test_golden_values()

int test_golden_values ( World & world )

References std::abs(), madness::test_output::checkpoint(), e(), madness::test_output::end(), madness::g, and golden_pts.

Referenced by main().

◆ test_output_param_overload()

int test_output_param_overload ( World & world )

References madness::test_output::checkpoint(), d, e(), madness::test_output::end(), madness::f, madness::WorldGopInterface::fence(), madness::FunctionFactory< T, NDIM >::functor(), madness::World::gop, L, NDIM, ok(), p(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_initial_level(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_refine(), and madness::FunctionDefaults< NDIM >::set_thresh().

Referenced by main().

◆ test_scaling_factor()

int test_scaling_factor ( )

References std::abs(), madness::arg(), madness::test_output::checkpoint(), madness::test_output::end(), and madness::MAXLEVEL.

Referenced by main().

Variable Documentation

◆ golden_pts

const GoldenPoint golden_pts[]

static

Initial value:

= {
    {1, 7, 1e-5, { 0.3,  0.0,  0.0}},
    {1, 7, 1e-5, { 0.0,  0.0,  0.0}},
    {1, 7, 1e-5, {-0.5,  0.0,  0.0}},
    {2, 7, 1e-5, { 0.3,  0.3,  0.0}},
    {2, 7, 1e-5, { 0.1, -0.2,  0.0}},
    {3, 7, 1e-5, { 0.3, -0.3,  0.3}},
    {3, 7, 1e-5, { 0.0,  0.0,  0.0}},
}

Referenced by test_golden_values().

◆ print_golden

const bool print_golden

static

Initial value:

=

(std::getenv("MADNESS_TEST_EVAL_PRINT_GOLDEN") != nullptr)

Referenced by golden_check_ndim().

◆ run_bench

const bool run_bench

static

Initial value:

=

(std::getenv("MADNESS_BENCH_EVAL") != nullptr)

Referenced by main().

◆ run_heavy

const bool run_heavy

static

Initial value:

=

(std::getenv("MADNESS_TEST_EVAL_EXHAUSTIVE") != nullptr)

Referenced by main(), test_correctness_ndim(), and test_general_fast_transform().

Classes

Functions

Variables

Detailed Description

Function Documentation

◆ bench_cell()

◆ eval_tol()

◆ golden_check_ndim()

◆ is_heavy()

◆ main()

◆ random_sim_points()

◆ run_batched_cell()

◆ run_benchmark()

◆ run_correctness_cell()

◆ sim_to_user()

◆ test_batched_ndim()

◆ test_contraction_micro()

◆ test_correctness_ndim()

◆ test_general_fast_transform()

◆ test_golden_values()

◆ test_output_param_overload()

◆ test_scaling_factor()

Variable Documentation

◆ golden_pts

◆ print_golden

◆ run_bench

◆ run_heavy