lammps-sys 0.6.0

Generates bindings to LAMMPS' C interface (with optional builds from source)
Documentation
/*
//@HEADER
// ************************************************************************
//
//                        Kokkos v. 2.0
//              Copyright (2014) Sandia Corporation
//
// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
// the U.S. Government retains certain rights in this software.
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// modification, are permitted provided that the following conditions are
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// 2. Redistributions in binary form must reproduce the above copyright
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// contributors may be used to endorse or promote products derived from
// this software without specific prior written permission.
//
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// Questions? Contact Christian R. Trott (crtrott@sandia.gov)
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*/

/// \file Kokkos_Layout.hpp
/// \brief Declaration of various \c MemoryLayout options.

#ifndef KOKKOS_LAYOUT_HPP
#define KOKKOS_LAYOUT_HPP

#include <cstddef>
#include <impl/Kokkos_Traits.hpp>
#include <impl/Kokkos_Tags.hpp>

namespace Kokkos {

enum { ARRAY_LAYOUT_MAX_RANK = 8 };

//----------------------------------------------------------------------------
/// \struct LayoutLeft
/// \brief Memory layout tag indicating left-to-right (Fortran scheme)
///   striding of multi-indices.
///
/// This is an example of a \c MemoryLayout template parameter of
/// View.  The memory layout describes how View maps from a
/// multi-index (i0, i1, ..., ik) to a memory location.
///
/// "Layout left" indicates a mapping where the leftmost index i0
/// refers to contiguous access, and strides increase for dimensions
/// going right from there (i1, i2, ...).  This layout imitates how
/// Fortran stores multi-dimensional arrays.  For the special case of
/// a two-dimensional array, "layout left" is also called "column
/// major."
struct LayoutLeft {
  //! Tag this class as a kokkos array layout
  typedef LayoutLeft array_layout ;

  size_t dimension[ ARRAY_LAYOUT_MAX_RANK ];

  enum { is_extent_constructible = true };

  LayoutLeft( LayoutLeft const & ) = default ;
  LayoutLeft( LayoutLeft && ) = default ;
  LayoutLeft & operator = ( LayoutLeft const & ) = default ;
  LayoutLeft & operator = ( LayoutLeft && ) = default ;

  KOKKOS_INLINE_FUNCTION
  explicit constexpr
  LayoutLeft( size_t N0 = 0 , size_t N1 = 0 , size_t N2 = 0 , size_t N3 = 0
            , size_t N4 = 0 , size_t N5 = 0 , size_t N6 = 0 , size_t N7 = 0 )
    : dimension { N0 , N1 , N2 , N3 , N4 , N5 , N6 , N7 } {}
};

//----------------------------------------------------------------------------
/// \struct LayoutRight
/// \brief Memory layout tag indicating right-to-left (C or
///   lexigraphical scheme) striding of multi-indices.
///
/// This is an example of a \c MemoryLayout template parameter of
/// View.  The memory layout describes how View maps from a
/// multi-index (i0, i1, ..., ik) to a memory location.
///
/// "Right layout" indicates a mapping where the rightmost index ik
/// refers to contiguous access, and strides increase for dimensions
/// going left from there.  This layout imitates how C stores
/// multi-dimensional arrays.  For the special case of a
/// two-dimensional array, "layout right" is also called "row major."
struct LayoutRight {
  //! Tag this class as a kokkos array layout
  typedef LayoutRight array_layout ;

  size_t dimension[ ARRAY_LAYOUT_MAX_RANK ];

  enum { is_extent_constructible = true };

  LayoutRight( LayoutRight const & ) = default ;
  LayoutRight( LayoutRight && ) = default ;
  LayoutRight & operator = ( LayoutRight const & ) = default ;
  LayoutRight & operator = ( LayoutRight && ) = default ;

  KOKKOS_INLINE_FUNCTION
  explicit constexpr
  LayoutRight( size_t N0 = 0 , size_t N1 = 0 , size_t N2 = 0 , size_t N3 = 0
             , size_t N4 = 0 , size_t N5 = 0 , size_t N6 = 0 , size_t N7 = 0 )
    : dimension { N0 , N1 , N2 , N3 , N4 , N5 , N6 , N7 } {}
};

//----------------------------------------------------------------------------
/// \struct LayoutStride
/// \brief  Memory layout tag indicated arbitrarily strided
///         multi-index mapping into contiguous memory.
struct LayoutStride {

  //! Tag this class as a kokkos array layout
  typedef LayoutStride array_layout ;

  size_t dimension[ ARRAY_LAYOUT_MAX_RANK ] ;
  size_t stride[ ARRAY_LAYOUT_MAX_RANK ] ;

  enum { is_extent_constructible = false };

  LayoutStride( LayoutStride const & ) = default ;
  LayoutStride( LayoutStride && ) = default ;
  LayoutStride & operator = ( LayoutStride const & ) = default ;
  LayoutStride & operator = ( LayoutStride && ) = default ;

  /** \brief  Compute strides from ordered dimensions.
   *
   *  Values of order uniquely form the set [0..rank)
   *  and specify ordering of the dimensions.
   *  Order = {0,1,2,...} is LayoutLeft
   *  Order = {...,2,1,0} is LayoutRight
   */
  template< typename iTypeOrder , typename iTypeDimen >
  KOKKOS_INLINE_FUNCTION static
  LayoutStride order_dimensions( int const rank
                               , iTypeOrder const * const order
                               , iTypeDimen const * const dimen )
    {
      LayoutStride tmp ;
      // Verify valid rank order:
      int check_input = ARRAY_LAYOUT_MAX_RANK < rank ? 0 : int( 1 << rank ) - 1 ;
      for ( int r = 0 ; r < ARRAY_LAYOUT_MAX_RANK ; ++r ) {
        tmp.dimension[r] = 0 ;
        tmp.stride[r]    = 0 ;
      }
      for ( int r = 0 ; r < rank ; ++r ) {
        check_input &= ~int( 1 << order[r] );
      }
      if ( 0 == check_input ) {
        size_t n = 1 ;
        for ( int r = 0 ; r < rank ; ++r ) {
          tmp.stride[ order[r] ] = n ;
          n *= ( dimen[order[r]] );
          tmp.dimension[r] = dimen[r];
        }
      }
      return tmp ;
    }

  KOKKOS_INLINE_FUNCTION
  explicit constexpr
  LayoutStride( size_t N0 = 0 , size_t S0 = 0
              , size_t N1 = 0 , size_t S1 = 0
              , size_t N2 = 0 , size_t S2 = 0
              , size_t N3 = 0 , size_t S3 = 0
              , size_t N4 = 0 , size_t S4 = 0
              , size_t N5 = 0 , size_t S5 = 0
              , size_t N6 = 0 , size_t S6 = 0
              , size_t N7 = 0 , size_t S7 = 0
              )
    : dimension { N0 , N1 , N2 , N3 , N4 , N5 , N6 , N7 }
    , stride    { S0 , S1 , S2 , S3 , S4 , S5 , S6 , S7 }
    {}
};

// ==========================================================================
#ifdef KOKKOS_ENABLE_DEPRECATED_CODE

//----------------------------------------------------------------------------
/// \struct LayoutTileLeft
/// \brief Memory layout tag indicating left-to-right (Fortran scheme)
///   striding of multi-indices by tiles.
///
/// This is an example of a \c MemoryLayout template parameter of
/// View.  The memory layout describes how View maps from a
/// multi-index (i0, i1, ..., ik) to a memory location.
///
/// "Tiled layout" indicates a mapping to contiguously stored
/// <tt>ArgN0</tt> by <tt>ArgN1</tt> tiles for the rightmost two
/// dimensions.  Indices are LayoutLeft within each tile, and the
/// tiles themselves are arranged using LayoutLeft.  Note that the
/// dimensions <tt>ArgN0</tt> and <tt>ArgN1</tt> of the tiles must be
/// compile-time constants.  This speeds up index calculations.  If
/// both tile dimensions are powers of two, Kokkos can optimize
/// further.
template < unsigned ArgN0 , unsigned ArgN1 ,
           bool IsPowerOfTwo = ( Impl::is_integral_power_of_two(ArgN0) &&
                                 Impl::is_integral_power_of_two(ArgN1) )
         >
struct LayoutTileLeft {

  static_assert( Impl::is_integral_power_of_two(ArgN0) &&
                 Impl::is_integral_power_of_two(ArgN1)
               , "LayoutTileLeft must be given power-of-two tile dimensions" );

  //! Tag this class as a kokkos array layout
  typedef LayoutTileLeft<ArgN0,ArgN1,IsPowerOfTwo> array_layout ;

  enum { N0 = ArgN0 };
  enum { N1 = ArgN1 };

  size_t dimension[ ARRAY_LAYOUT_MAX_RANK ] ;

  enum { is_extent_constructible = true };

  LayoutTileLeft( LayoutTileLeft const & ) = default ;
  LayoutTileLeft( LayoutTileLeft && ) = default ;
  LayoutTileLeft & operator = ( LayoutTileLeft const & ) = default ;
  LayoutTileLeft & operator = ( LayoutTileLeft && ) = default ;

  KOKKOS_INLINE_FUNCTION
  explicit constexpr
  LayoutTileLeft( size_t argN0 = 0 , size_t argN1 = 0 , size_t argN2 = 0 , size_t argN3 = 0
                , size_t argN4 = 0 , size_t argN5 = 0 , size_t argN6 = 0 , size_t argN7 = 0
                )
    : dimension { argN0 , argN1 , argN2 , argN3 , argN4 , argN5 , argN6 , argN7 } {}
};

#endif   // KOKKOS_ENABLE_DEPRECATED_CODE
// ===================================================================================

//////////////////////////////////////////////////////////////////////////////////////

enum class Iterate
{
  Default,
  Left,    // Left indices stride fastest
  Right   // Right indices stride fastest
};

// To check for LayoutTiled
// This is to hide extra compile-time 'identifier' info within the LayoutTiled class by not relying on template specialization to include the ArgN*'s
template < typename LayoutTiledCheck, class Enable = void >
struct is_layouttiled : std::false_type {};

#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
template < typename LayoutTiledCheck >
struct is_layouttiled< LayoutTiledCheck, typename std::enable_if<LayoutTiledCheck::is_array_layout_tiled>::type > : std::true_type {};

namespace Experimental {

/// LayoutTiled
// Must have Rank >= 2
template < Kokkos::Iterate OuterP, Kokkos::Iterate InnerP,
           unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 = 0,  unsigned ArgN3 = 0,  unsigned ArgN4 = 0,  unsigned ArgN5 = 0,  unsigned ArgN6 = 0,  unsigned ArgN7 = 0, 
           bool IsPowerOfTwo = 
           ( Kokkos::Impl::is_integral_power_of_two(ArgN0) &&
               Kokkos::Impl::is_integral_power_of_two(ArgN1) &&
             (Kokkos::Impl::is_integral_power_of_two(ArgN2) || (ArgN2 == 0) ) &&
             (Kokkos::Impl::is_integral_power_of_two(ArgN3) || (ArgN3 == 0) ) &&
             (Kokkos::Impl::is_integral_power_of_two(ArgN4) || (ArgN4 == 0) ) &&
             (Kokkos::Impl::is_integral_power_of_two(ArgN5) || (ArgN5 == 0) ) &&
             (Kokkos::Impl::is_integral_power_of_two(ArgN6) || (ArgN6 == 0) ) &&
             (Kokkos::Impl::is_integral_power_of_two(ArgN7) || (ArgN7 == 0) )
           )
         >
struct LayoutTiled {

  static_assert( IsPowerOfTwo
               , "LayoutTiled must be given power-of-two tile dimensions" );

#if 0
  static_assert( (Impl::is_integral_power_of_two(ArgN0) ) &&
                 (Impl::is_integral_power_of_two(ArgN1) ) &&
                 (Impl::is_integral_power_of_two(ArgN2) || (ArgN2 == 0) ) &&
                 (Impl::is_integral_power_of_two(ArgN3) || (ArgN3 == 0) ) &&
                 (Impl::is_integral_power_of_two(ArgN4) || (ArgN4 == 0) ) &&
                 (Impl::is_integral_power_of_two(ArgN5) || (ArgN5 == 0) ) &&
                 (Impl::is_integral_power_of_two(ArgN6) || (ArgN6 == 0) ) &&
                 (Impl::is_integral_power_of_two(ArgN7) || (ArgN7 == 0) )
               , "LayoutTiled must be given power-of-two tile dimensions" );
#endif

  typedef LayoutTiled<OuterP, InnerP, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, IsPowerOfTwo> array_layout ;
  static constexpr Iterate outer_pattern = OuterP;
  static constexpr Iterate inner_pattern = InnerP;

  enum { N0 = ArgN0 };
  enum { N1 = ArgN1 };
  enum { N2 = ArgN2 };
  enum { N3 = ArgN3 };
  enum { N4 = ArgN4 };
  enum { N5 = ArgN5 };
  enum { N6 = ArgN6 };
  enum { N7 = ArgN7 };

  size_t dimension[ ARRAY_LAYOUT_MAX_RANK ] ;

  enum { is_extent_constructible = true };

  LayoutTiled( LayoutTiled const & ) = default ;
  LayoutTiled( LayoutTiled && ) = default ;
  LayoutTiled & operator = ( LayoutTiled const & ) = default ;
  LayoutTiled & operator = ( LayoutTiled && ) = default ;

  KOKKOS_INLINE_FUNCTION
  explicit constexpr
  LayoutTiled( size_t argN0 = 0 , size_t argN1 = 0 , size_t argN2 = 0 , size_t argN3 = 0
                , size_t argN4 = 0 , size_t argN5 = 0 , size_t argN6 = 0 , size_t argN7 = 0
                )
    : dimension { argN0 , argN1 , argN2 , argN3 , argN4 , argN5 , argN6 , argN7 } {}
};

} // namespace Experimental
#endif


// For use with view_copy
template < typename ... Layout >
struct layout_iterate_type_selector {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Default ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Default ;
};

template <>
struct layout_iterate_type_selector< Kokkos::LayoutRight > {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Right ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Right ;
};

template <>
struct layout_iterate_type_selector< Kokkos::LayoutLeft > {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Left ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Left ;
};

template <>
struct layout_iterate_type_selector< Kokkos::LayoutStride > {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Default ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Default ;
};

#ifndef KOKKOS_ENABLE_DEPRECATED_CODE
template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Left, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Left ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Left ;
};

template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Left, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Right ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Left ;
};

template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Left, Kokkos::Iterate::Right, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Left ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Right ;
};

template < unsigned ArgN0 , unsigned ArgN1 , unsigned ArgN2 ,  unsigned ArgN3 ,  unsigned ArgN4 ,  unsigned ArgN5 ,  unsigned ArgN6 ,  unsigned ArgN7 >
struct layout_iterate_type_selector< Kokkos::Experimental::LayoutTiled<Kokkos::Iterate::Right, Kokkos::Iterate::Right, ArgN0, ArgN1, ArgN2, ArgN3, ArgN4, ArgN5, ArgN6, ArgN7, true> > {
  static const Kokkos::Iterate outer_iteration_pattern = Kokkos::Iterate::Right ;
  static const Kokkos::Iterate inner_iteration_pattern = Kokkos::Iterate::Right ;
};
#endif

} // namespace Kokkos

#endif // #ifndef KOKKOS_LAYOUT_HPP