lammps-sys 0.6.0

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//                        Kokkos v. 2.0
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#ifndef KOKKOS_TEST_DUALVIEW_HPP
#define KOKKOS_TEST_DUALVIEW_HPP

#include <gtest/gtest.h>
#include <iostream>
#include <cstdlib>
#include <cstdio>
#include <impl/Kokkos_Timer.hpp>
#include <Kokkos_Core.hpp>
#include <Kokkos_Random.hpp>
#include <cmath>
#include <chrono>

namespace Test {

namespace Impl{

// This test runs the random number generators and uses some statistic tests to
// check the 'goodness' of the random numbers:
//    (i)   mean:         the mean is expected to be 0.5*RAND_MAX
//    (ii)  variance:     the variance is 1/3*mean*mean
//    (iii) covariance:   the covariance is 0
//    (iv)  1-tupledistr: the mean, variance and covariance of a 1D Histrogram of random numbers
//    (v)   3-tupledistr: the mean, variance and covariance of a 3D Histrogram of random numbers

#define HIST_DIM3D 24
#define HIST_DIM1D (HIST_DIM3D*HIST_DIM3D*HIST_DIM3D)

struct RandomProperties {
  uint64_t count;
  double mean;
  double variance;
  double covariance;
  double min;
  double max;

  KOKKOS_INLINE_FUNCTION
  RandomProperties() {
    count = 0;
    mean = 0.0;
    variance = 0.0;
    covariance = 0.0;
    min = 1e64;
    max = -1e64;
  }

  KOKKOS_INLINE_FUNCTION
  RandomProperties& operator+=(const RandomProperties& add) {
    count      += add.count;
    mean       += add.mean;
    variance   += add.variance;
    covariance += add.covariance;
    min         = add.min<min?add.min:min;
    max         = add.max>max?add.max:max;
    return *this;
  }

  KOKKOS_INLINE_FUNCTION
  void operator+=(const volatile RandomProperties& add) volatile {
    count      += add.count;
    mean       += add.mean;
    variance   += add.variance;
    covariance += add.covariance;
    min         = add.min<min?add.min:min;
    max         = add.max>max?add.max:max;
  }
};

template<class GeneratorPool, class Scalar>
struct test_random_functor {
  typedef typename GeneratorPool::generator_type rnd_type;

  typedef RandomProperties value_type;
  typedef typename GeneratorPool::device_type device_type;

  GeneratorPool rand_pool;
  const double mean;

  // NOTE (mfh 03 Nov 2014): Kokkos::rand::max() is supposed to define
  // an exclusive upper bound on the range of random numbers that
  // draw() can generate.  However, for the float specialization, some
  // implementations might violate this upper bound, due to rounding
  // error.  Just in case, we leave an extra space at the end of each
  // dimension, in the View types below.
  typedef Kokkos::View<int[HIST_DIM1D+1],typename GeneratorPool::device_type> type_1d;
  type_1d density_1d;
  typedef Kokkos::View<int[HIST_DIM3D+1][HIST_DIM3D+1][HIST_DIM3D+1],typename GeneratorPool::device_type> type_3d;
  type_3d density_3d;

  test_random_functor (GeneratorPool rand_pool_, type_1d d1d, type_3d d3d) :
    rand_pool (rand_pool_),
    mean (0.5*Kokkos::rand<rnd_type,Scalar>::max ()),
    density_1d (d1d),
    density_3d (d3d)
  {}

  KOKKOS_INLINE_FUNCTION
  void operator() (int i, RandomProperties& prop) const {
    using Kokkos::atomic_fetch_add;

    rnd_type rand_gen = rand_pool.get_state();
    for (int k = 0; k < 1024; ++k) {
      const Scalar tmp = Kokkos::rand<rnd_type,Scalar>::draw(rand_gen);
      prop.count++;
      prop.mean += tmp;
      prop.variance += (tmp-mean)*(tmp-mean);
      const Scalar tmp2 = Kokkos::rand<rnd_type,Scalar>::draw(rand_gen);
      prop.count++;
      prop.mean += tmp2;
      prop.variance += (tmp2-mean)*(tmp2-mean);
      prop.covariance += (tmp-mean)*(tmp2-mean);
      const Scalar tmp3 = Kokkos::rand<rnd_type,Scalar>::draw(rand_gen);
      prop.count++;
      prop.mean += tmp3;
      prop.variance += (tmp3-mean)*(tmp3-mean);
      prop.covariance += (tmp2-mean)*(tmp3-mean);

      // NOTE (mfh 03 Nov 2014): Kokkos::rand::max() is supposed to
      // define an exclusive upper bound on the range of random
      // numbers that draw() can generate.  However, for the float
      // specialization, some implementations might violate this upper
      // bound, due to rounding error.  Just in case, we have left an
      // extra space at the end of each dimension of density_1d and
      // density_3d.
      //
      // Please note that those extra entries might not get counted in
      // the histograms.  However, if Kokkos::rand is broken and only
      // returns values of max(), the histograms will still catch this
      // indirectly, since none of the other values will be filled in.

      const Scalar theMax = Kokkos::rand<rnd_type, Scalar>::max ();

      const uint64_t ind1_1d = static_cast<uint64_t> (1.0 * HIST_DIM1D * tmp / theMax);
      const uint64_t ind2_1d = static_cast<uint64_t> (1.0 * HIST_DIM1D * tmp2 / theMax);
      const uint64_t ind3_1d = static_cast<uint64_t> (1.0 * HIST_DIM1D * tmp3 / theMax);

      const uint64_t ind1_3d = static_cast<uint64_t> (1.0 * HIST_DIM3D * tmp / theMax);
      const uint64_t ind2_3d = static_cast<uint64_t> (1.0 * HIST_DIM3D * tmp2 / theMax);
      const uint64_t ind3_3d = static_cast<uint64_t> (1.0 * HIST_DIM3D * tmp3 / theMax);

      atomic_fetch_add (&density_1d(ind1_1d), 1);
      atomic_fetch_add (&density_1d(ind2_1d), 1);
      atomic_fetch_add (&density_1d(ind3_1d), 1);
      atomic_fetch_add (&density_3d(ind1_3d, ind2_3d, ind3_3d), 1);
    }
    rand_pool.free_state(rand_gen);
  }
};

template<class DeviceType>
struct test_histogram1d_functor {
  typedef RandomProperties value_type;
  typedef typename DeviceType::execution_space execution_space;
  typedef typename DeviceType::memory_space memory_space;

  // NOTE (mfh 03 Nov 2014): Kokkos::rand::max() is supposed to define
  // an exclusive upper bound on the range of random numbers that
  // draw() can generate.  However, for the float specialization, some
  // implementations might violate this upper bound, due to rounding
  // error.  Just in case, we leave an extra space at the end of each
  // dimension, in the View type below.
  typedef Kokkos::View<int[HIST_DIM1D+1], memory_space> type_1d;
  type_1d density_1d;
  double mean;

  test_histogram1d_functor (type_1d d1d, int num_draws) :
    density_1d (d1d),
    mean (1.0*num_draws/HIST_DIM1D*3)
  {
  }

  KOKKOS_INLINE_FUNCTION void
  operator() (const typename memory_space::size_type i,
              RandomProperties& prop) const
  {
    typedef typename memory_space::size_type size_type;
    const double count = density_1d(i);
    prop.mean += count;
    prop.variance += 1.0 * (count - mean) * (count - mean);
    //prop.covariance += 1.0*count*count;
    prop.min = count < prop.min ? count : prop.min;
    prop.max = count > prop.max ? count : prop.max;
    if (i < static_cast<size_type> (HIST_DIM1D-1)) {
      prop.covariance += (count - mean) * (density_1d(i+1) - mean);
    }
  }
};

template<class DeviceType>
struct test_histogram3d_functor {
  typedef RandomProperties value_type;
  typedef typename DeviceType::execution_space execution_space;
  typedef typename DeviceType::memory_space memory_space;

  // NOTE (mfh 03 Nov 2014): Kokkos::rand::max() is supposed to define
  // an exclusive upper bound on the range of random numbers that
  // draw() can generate.  However, for the float specialization, some
  // implementations might violate this upper bound, due to rounding
  // error.  Just in case, we leave an extra space at the end of each
  // dimension, in the View type below.
  typedef Kokkos::View<int[HIST_DIM3D+1][HIST_DIM3D+1][HIST_DIM3D+1], memory_space> type_3d;
  type_3d density_3d;
  double mean;

  test_histogram3d_functor (type_3d d3d, int num_draws) :
    density_3d (d3d),
    mean (1.0*num_draws/HIST_DIM1D)
  {}

  KOKKOS_INLINE_FUNCTION void
  operator() (const typename memory_space::size_type i,
              RandomProperties& prop) const
  {
    typedef typename memory_space::size_type size_type;
    const double count = density_3d(i/(HIST_DIM3D*HIST_DIM3D),
                                    (i % (HIST_DIM3D*HIST_DIM3D))/HIST_DIM3D,
                                    i % HIST_DIM3D);
    prop.mean += count;
    prop.variance += (count - mean) * (count - mean);
    if (i < static_cast<size_type> (HIST_DIM1D-1)) {
      const double count_next = density_3d((i+1)/(HIST_DIM3D*HIST_DIM3D),
                                           ((i+1)%(HIST_DIM3D*HIST_DIM3D))/HIST_DIM3D,
                                           (i+1)%HIST_DIM3D);
      prop.covariance += (count - mean) * (count_next - mean);
    }
  }
};

//
// Templated test that uses the above functors.
//
template <class RandomGenerator,class Scalar>
struct test_random_scalar {
  typedef typename RandomGenerator::generator_type rnd_type;

  int pass_mean,pass_var,pass_covar;
  int pass_hist1d_mean,pass_hist1d_var,pass_hist1d_covar;
  int pass_hist3d_mean,pass_hist3d_var,pass_hist3d_covar;

  test_random_scalar (typename test_random_functor<RandomGenerator,int>::type_1d& density_1d,
                      typename test_random_functor<RandomGenerator,int>::type_3d& density_3d,
                      RandomGenerator& pool,
                      unsigned int num_draws)
  {
    using std::cout;
    using std::endl;
    using Kokkos::parallel_reduce;

    {
      cout << " -- Testing randomness properties" << endl;

      RandomProperties result;
      typedef test_random_functor<RandomGenerator, Scalar> functor_type;
      parallel_reduce (num_draws/1024, functor_type (pool, density_1d, density_3d), result);

      //printf("Result: %lf %lf %lf\n",result.mean/num_draws/3,result.variance/num_draws/3,result.covariance/num_draws/2);
      double tolerance = 1.6*std::sqrt(1.0/num_draws);
      double mean_expect = 0.5*Kokkos::rand<rnd_type,Scalar>::max();
      double variance_expect = 1.0/3.0*mean_expect*mean_expect;
      double mean_eps = mean_expect/(result.mean/num_draws/3)-1.0;
      double variance_eps = variance_expect/(result.variance/num_draws/3)-1.0;
      double covariance_eps = result.covariance/num_draws/2/variance_expect;
      pass_mean  = ((-tolerance < mean_eps) &&
                    ( tolerance > mean_eps)) ? 1:0;
      pass_var   = ((-1.5*tolerance < variance_eps) &&
                    ( 1.5*tolerance > variance_eps)) ? 1:0;
      pass_covar = ((-2.0*tolerance < covariance_eps) &&
                    ( 2.0*tolerance > covariance_eps)) ? 1:0;
      cout << "Pass: " << pass_mean
           << " " << pass_var
           << " " << mean_eps
           << " " << variance_eps
           << " " << covariance_eps
           << " || " << tolerance << endl;
    }
    {
      cout << " -- Testing 1-D histogram" << endl;

      RandomProperties result;
      typedef test_histogram1d_functor<typename RandomGenerator::device_type> functor_type;
      parallel_reduce (HIST_DIM1D, functor_type (density_1d, num_draws), result);

      double tolerance = 6*std::sqrt(1.0/HIST_DIM1D);
      double mean_expect = 1.0*num_draws*3/HIST_DIM1D;
      double variance_expect = 1.0*num_draws*3/HIST_DIM1D*(1.0-1.0/HIST_DIM1D);
      double covariance_expect = -1.0*num_draws*3/HIST_DIM1D/HIST_DIM1D;
      double mean_eps = mean_expect/(result.mean/HIST_DIM1D)-1.0;
      double variance_eps = variance_expect/(result.variance/HIST_DIM1D)-1.0;
      double covariance_eps = (result.covariance/HIST_DIM1D - covariance_expect)/mean_expect;
      pass_hist1d_mean  = ((-0.0001 < mean_eps) &&
                           ( 0.0001 > mean_eps)) ? 1:0;
      pass_hist1d_var   = ((-0.07 < variance_eps) &&
                           ( 0.07 > variance_eps)) ? 1:0;
      pass_hist1d_covar = ((-0.06 < covariance_eps) &&
                           ( 0.06 > covariance_eps)) ? 1:0;

      cout << "Density 1D: " << mean_eps
           << " " << variance_eps
           << " " << (result.covariance/HIST_DIM1D/HIST_DIM1D)
           << " || " << tolerance
           << " " << result.min
           << " " << result.max
           << " || " << result.variance/HIST_DIM1D
           << " " << 1.0*num_draws*3/HIST_DIM1D*(1.0-1.0/HIST_DIM1D)
           << " || " << result.covariance/HIST_DIM1D
           << " " << -1.0*num_draws*3/HIST_DIM1D/HIST_DIM1D
           << endl;
    }
    {
      cout << " -- Testing 3-D histogram" << endl;

      RandomProperties result;
      typedef test_histogram3d_functor<typename RandomGenerator::device_type> functor_type;
      parallel_reduce (HIST_DIM1D, functor_type (density_3d, num_draws), result);

      double tolerance = 6*std::sqrt(1.0/HIST_DIM1D);
      double mean_expect = 1.0*num_draws/HIST_DIM1D;
      double variance_expect = 1.0*num_draws/HIST_DIM1D*(1.0-1.0/HIST_DIM1D);
      double covariance_expect = -1.0*num_draws/HIST_DIM1D/HIST_DIM1D;
      double mean_eps = mean_expect/(result.mean/HIST_DIM1D)-1.0;
      double variance_eps = variance_expect/(result.variance/HIST_DIM1D)-1.0;
      double covariance_eps = (result.covariance/HIST_DIM1D - covariance_expect)/mean_expect;
      pass_hist3d_mean  = ((-tolerance < mean_eps) &&
                           ( tolerance > mean_eps)) ? 1:0;
      pass_hist3d_var   = ((-1.2*tolerance < variance_eps) &&
                           ( 1.2*tolerance > variance_eps)) ? 1:0;
      pass_hist3d_covar = ((-tolerance < covariance_eps) &&
                           ( tolerance > covariance_eps)) ? 1:0;

      cout << "Density 3D: " << mean_eps
           << " " << variance_eps
           << " " << result.covariance/HIST_DIM1D/HIST_DIM1D
           << " || " << tolerance
           << " " << result.min
           << " " << result.max << endl;
    }
  }
};

template <class RandomGenerator>
void test_random(unsigned int num_draws)
{
  using std::cout;
  using std::endl;
  typename test_random_functor<RandomGenerator,int>::type_1d density_1d("D1d");
  typename test_random_functor<RandomGenerator,int>::type_3d density_3d("D3d");


  uint64_t ticks = std::chrono::high_resolution_clock::now().time_since_epoch().count();
  cout << "Test Seed:" << ticks << endl;

  RandomGenerator pool(ticks);

  cout << "Test Scalar=int" << endl;
  test_random_scalar<RandomGenerator,int> test_int(density_1d,density_3d,pool,num_draws);
  ASSERT_EQ( test_int.pass_mean,1);
  ASSERT_EQ( test_int.pass_var,1);
  ASSERT_EQ( test_int.pass_covar,1);
  ASSERT_EQ( test_int.pass_hist1d_mean,1);
  ASSERT_EQ( test_int.pass_hist1d_var,1);
  ASSERT_EQ( test_int.pass_hist1d_covar,1);
  ASSERT_EQ( test_int.pass_hist3d_mean,1);
  ASSERT_EQ( test_int.pass_hist3d_var,1);
  ASSERT_EQ( test_int.pass_hist3d_covar,1);
  deep_copy(density_1d,0);
  deep_copy(density_3d,0);

  cout << "Test Scalar=unsigned int" << endl;
  test_random_scalar<RandomGenerator,unsigned int> test_uint(density_1d,density_3d,pool,num_draws);
  ASSERT_EQ( test_uint.pass_mean,1);
  ASSERT_EQ( test_uint.pass_var,1);
  ASSERT_EQ( test_uint.pass_covar,1);
  ASSERT_EQ( test_uint.pass_hist1d_mean,1);
  ASSERT_EQ( test_uint.pass_hist1d_var,1);
  ASSERT_EQ( test_uint.pass_hist1d_covar,1);
  ASSERT_EQ( test_uint.pass_hist3d_mean,1);
  ASSERT_EQ( test_uint.pass_hist3d_var,1);
  ASSERT_EQ( test_uint.pass_hist3d_covar,1);
  deep_copy(density_1d,0);
  deep_copy(density_3d,0);

  cout << "Test Scalar=int64_t" << endl;
  test_random_scalar<RandomGenerator,int64_t> test_int64(density_1d,density_3d,pool,num_draws);
  ASSERT_EQ( test_int64.pass_mean,1);
  ASSERT_EQ( test_int64.pass_var,1);
  ASSERT_EQ( test_int64.pass_covar,1);
  ASSERT_EQ( test_int64.pass_hist1d_mean,1);
  ASSERT_EQ( test_int64.pass_hist1d_var,1);
  ASSERT_EQ( test_int64.pass_hist1d_covar,1);
  ASSERT_EQ( test_int64.pass_hist3d_mean,1);
  ASSERT_EQ( test_int64.pass_hist3d_var,1);
  ASSERT_EQ( test_int64.pass_hist3d_covar,1);
  deep_copy(density_1d,0);
  deep_copy(density_3d,0);

  cout << "Test Scalar=uint64_t" << endl;
  test_random_scalar<RandomGenerator,uint64_t> test_uint64(density_1d,density_3d,pool,num_draws);
  ASSERT_EQ( test_uint64.pass_mean,1);
  ASSERT_EQ( test_uint64.pass_var,1);
  ASSERT_EQ( test_uint64.pass_covar,1);
  ASSERT_EQ( test_uint64.pass_hist1d_mean,1);
  ASSERT_EQ( test_uint64.pass_hist1d_var,1);
  ASSERT_EQ( test_uint64.pass_hist1d_covar,1);
  ASSERT_EQ( test_uint64.pass_hist3d_mean,1);
  ASSERT_EQ( test_uint64.pass_hist3d_var,1);
  ASSERT_EQ( test_uint64.pass_hist3d_covar,1);
  deep_copy(density_1d,0);
  deep_copy(density_3d,0);

  cout << "Test Scalar=float" << endl;
  test_random_scalar<RandomGenerator,float> test_float(density_1d,density_3d,pool,num_draws);
  ASSERT_EQ( test_float.pass_mean,1);
  ASSERT_EQ( test_float.pass_var,1);
  ASSERT_EQ( test_float.pass_covar,1);
  ASSERT_EQ( test_float.pass_hist1d_mean,1);
  ASSERT_EQ( test_float.pass_hist1d_var,1);
  ASSERT_EQ( test_float.pass_hist1d_covar,1);
  ASSERT_EQ( test_float.pass_hist3d_mean,1);
  ASSERT_EQ( test_float.pass_hist3d_var,1);
  ASSERT_EQ( test_float.pass_hist3d_covar,1);
  deep_copy(density_1d,0);
  deep_copy(density_3d,0);

  cout << "Test Scalar=double" << endl;
  test_random_scalar<RandomGenerator,double> test_double(density_1d,density_3d,pool,num_draws);
  ASSERT_EQ( test_double.pass_mean,1);
  ASSERT_EQ( test_double.pass_var,1);
  ASSERT_EQ( test_double.pass_covar,1);
  ASSERT_EQ( test_double.pass_hist1d_mean,1);
  ASSERT_EQ( test_double.pass_hist1d_var,1);
  ASSERT_EQ( test_double.pass_hist1d_covar,1);
  ASSERT_EQ( test_double.pass_hist3d_mean,1);
  ASSERT_EQ( test_double.pass_hist3d_var,1);
  ASSERT_EQ( test_double.pass_hist3d_covar,1);
}
}

} // namespace Test

#endif //KOKKOS_TEST_UNORDERED_MAP_HPP