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Use Kokkos math #166

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Jan 6, 2025
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Merged

Use Kokkos math #166

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67164c1
fixup: use Kokkos math directly after requring 4.1
streeve Dec 28, 2024
8219dcb
fixup: use Kokkos pi constant
streeve Jan 3, 2025
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5 changes: 2 additions & 3 deletions src/CabanaPD_Constants.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -12,13 +12,12 @@
#ifndef CONSTANTS_H
#define CONSTANTS_H

#include "mpi.h"
#include "Kokkos_Core.hpp"

namespace CabanaPD
{

// FIXME: Kokkos::numbers::pi_v<double> when minimum 4.0 is required.
constexpr double pi = M_PI;
constexpr double pi = Kokkos::numbers::pi_v<double>;

} // namespace CabanaPD
#endif
8 changes: 4 additions & 4 deletions src/CabanaPD_Force.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -60,7 +60,7 @@
#ifndef FORCE_H
#define FORCE_H

#include <cmath>
#include <Kokkos_Core.hpp>

#include <CabanaPD_ForceModels.hpp>
#include <CabanaPD_Particles.hpp>
Expand All @@ -86,8 +86,8 @@ getDistanceComponents( const PosType& x, const PosType& u, const int i,
rx = xi_x + eta_u;
ry = xi_y + eta_v;
rz = xi_z + eta_w;
r = sqrt( rx * rx + ry * ry + rz * rz );
xi = sqrt( xi_x * xi_x + xi_y * xi_y + xi_z * xi_z );
r = Kokkos::sqrt( rx * rx + ry * ry + rz * rz );
xi = Kokkos::sqrt( xi_x * xi_x + xi_y * xi_y + xi_z * xi_z );
s = ( r - xi ) / xi;
}

Expand All @@ -112,7 +112,7 @@ KOKKOS_INLINE_FUNCTION void getLinearizedDistanceComponents(
const double eta_v = u( j, 1 ) - u( i, 1 );
xi_z = x( j, 2 ) - x( i, 2 );
const double eta_w = u( j, 2 ) - u( i, 2 );
xi = sqrt( xi_x * xi_x + xi_y * xi_y + xi_z * xi_z );
xi = Kokkos::sqrt( xi_x * xi_x + xi_y * xi_y + xi_z * xi_z );
s = ( xi_x * eta_u + xi_y * eta_v + xi_z * eta_w ) / ( xi * xi );
}

Expand Down
51 changes: 14 additions & 37 deletions src/CabanaPD_Prenotch.hpp
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Expand Up @@ -20,35 +20,6 @@

namespace CabanaPD
{
KOKKOS_INLINE_FUNCTION
double abs( const double a )
{
#if KOKKOS_VERSION >= 30700
return Kokkos::abs( a );
#else
return Kokkos::Experimental::abs( a );
#endif
}

KOKKOS_INLINE_FUNCTION
double fmin( const double a, const double b )
{
#if KOKKOS_VERSION >= 30700
return Kokkos::fmin( a, b );
#else
return Kokkos::Experimental::fmin( a, b );
#endif
}

KOKKOS_INLINE_FUNCTION
double fmax( const double a, const double b )
{
#if KOKKOS_VERSION >= 30700
return Kokkos::fmax( a, b );
#else
return Kokkos::Experimental::fmax( a, b );
#endif
}

KOKKOS_INLINE_FUNCTION
double dot( Kokkos::Array<double, 3> a, Kokkos::Array<double, 3> b )
Expand All @@ -60,7 +31,10 @@ double dot( Kokkos::Array<double, 3> a, Kokkos::Array<double, 3> b )
}

KOKKOS_INLINE_FUNCTION
double norm( Kokkos::Array<double, 3> a ) { return sqrt( dot( a, a ) ); }
double norm( Kokkos::Array<double, 3> a )
{
return Kokkos::sqrt( dot( a, a ) );
}

KOKKOS_INLINE_FUNCTION
Kokkos::Array<double, 3> cross( Kokkos::Array<double, 3> a,
Expand Down Expand Up @@ -108,9 +82,9 @@ int linePlaneIntersection( const Kokkos::Array<double, 3> p0,
const Kokkos::Array<double, 3> l,
const double tol = 1e-10 )
{
if ( abs( dot( l, n ) ) < tol )
if ( Kokkos::abs( dot( l, n ) ) < tol )
{
if ( abs( dot( diff( p0, l0 ), n ) ) < tol )
if ( Kokkos::abs( dot( diff( p0, l0 ), n ) ) < tol )
return 1;
else
return 2;
Expand All @@ -131,7 +105,7 @@ int bondPrenotchIntersection( const Kokkos::Array<double, 3> v1,
double norm_cross_v1_v2 = norm( cross_v1_v2 );

// Check if v1 and v2 are parallel.
assert( abs( norm( cross( v1, v2 ) ) ) > tol );
assert( Kokkos::abs( norm( cross( v1, v2 ) ) ) > tol );

// Define plane normal.
auto n = scale( cross_v1_v2, 1.0 / norm_cross_v1_v2 );
Expand Down Expand Up @@ -159,16 +133,18 @@ int bondPrenotchIntersection( const Kokkos::Array<double, 3> v1,
double lj2 = -dot( cross( diff( x_j, p0 ), v1 ), cross_v1_v2 ) /
norm2_cross_v1_v2;

if ( !( fmin( li1, lj1 ) > 1 + tol || fmax( li1, lj1 ) < -tol ||
fmin( li2, lj2 ) > 1 + tol || fmax( li2, lj2 ) < -tol ) )
if ( !( Kokkos::fmin( li1, lj1 ) > 1 + tol ||
Kokkos::fmax( li1, lj1 ) < -tol ||
Kokkos::fmin( li2, lj2 ) > 1 + tol ||
Kokkos::fmax( li2, lj2 ) < -tol ) )
keep_bond = 0;
}
// Case II: no intersection.

// Case III: single point intersection.
else if ( case_flag == 3 )
{
assert( abs( dot( l, n ) ) > tol );
assert( Kokkos::abs( dot( l, n ) ) > tol );

// Check if intersection point belongs to the bond.
auto d = dot( diff( p0, l0 ), n ) / dot( l, n );
Expand All @@ -185,7 +161,8 @@ int bondPrenotchIntersection( const Kokkos::Array<double, 3> v1,
double l2 = -dot( cross( diff( p, p0 ), v1 ), cross_v1_v2 ) /
norm2_cross_v1_v2;

if ( -tol < fmin( l1, l2 ) && fmax( l1, l2 ) < 1 + tol )
if ( -tol < Kokkos::fmin( l1, l2 ) &&
Kokkos::fmax( l1, l2 ) < 1 + tol )
// Intersection.
keep_bond = 0;
}
Expand Down
6 changes: 4 additions & 2 deletions src/force/CabanaPD_ForceModels_LPS.hpp
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Expand Up @@ -12,6 +12,8 @@
#ifndef FORCE_MODELS_LPS_H
#define FORCE_MODELS_LPS_H

#include <Kokkos_Core.hpp>

#include <CabanaPD_ForceModels.hpp>
#include <CabanaPD_Types.hpp>

Expand Down Expand Up @@ -95,11 +97,11 @@ struct ForceModel<LPS, Fracture> : public ForceModel<LPS, Elastic>
G0 = _G0;
if ( influence_type == 1 )
{
s0 = sqrt( 5.0 * G0 / 9.0 / K / delta ); // 1/xi
s0 = Kokkos::sqrt( 5.0 * G0 / 9.0 / K / delta ); // 1/xi
}
else
{
s0 = sqrt( 8.0 * G0 / 15.0 / K / delta ); // 1
s0 = Kokkos::sqrt( 8.0 * G0 / 15.0 / K / delta ); // 1
}
bond_break_coeff = ( 1.0 + s0 ) * ( 1.0 + s0 );
}
Expand Down
4 changes: 3 additions & 1 deletion src/force/CabanaPD_ForceModels_PMB.hpp
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Expand Up @@ -12,6 +12,8 @@
#ifndef FORCE_MODELS_PMB_H
#define FORCE_MODELS_PMB_H

#include <Kokkos_Core.hpp>

#include <CabanaPD_Constants.hpp>
#include <CabanaPD_ForceModels.hpp>
#include <CabanaPD_Types.hpp>
Expand Down Expand Up @@ -88,7 +90,7 @@ struct ForceModel<PMB, Fracture, TemperatureIndependent>
{
base_type::set_param( _delta, _K );
G0 = _G0;
s0 = sqrt( 5.0 * G0 / 9.0 / K / delta );
s0 = Kokkos::sqrt( 5.0 * G0 / 9.0 / K / delta );
bond_break_coeff = ( 1.0 + s0 ) * ( 1.0 + s0 );
}

Expand Down
20 changes: 8 additions & 12 deletions src/force/CabanaPD_Force_HertzianContact.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,7 @@
#ifndef CONTACT_HERTZIAN_H
#define CONTACT_HERTZIAN_H

#include <cmath>
#include <Kokkos_Core.hpp>

#include <CabanaPD_Force.hpp>
#include <CabanaPD_Input.hpp>
Expand Down Expand Up @@ -62,8 +62,8 @@ class Force<MemorySpace, HertzianModel>
const int n_frozen = particles.frozenOffset();
const int n_local = particles.localOffset();

const double coeff_h_n = 4.0 / 3.0 * Es * std::sqrt( Rs );
const double coeff_h_d = -2.0 * sqrt( 5.0 / 6.0 ) * beta;
const double coeff_h_n = 4.0 / 3.0 * Es * Kokkos::sqrt( Rs );
const double coeff_h_d = -2.0 * Kokkos::sqrt( 5.0 / 6.0 ) * beta;

const auto vol = particles.sliceVolume();
const auto rho = particles.sliceDensity();
Expand All @@ -76,11 +76,6 @@ class Force<MemorySpace, HertzianModel>

auto contact_full = KOKKOS_LAMBDA( const int i, const int j )
{
using Kokkos::abs;
using Kokkos::min;
using Kokkos::pow;
using Kokkos::sqrt;

double fcx_i = 0.0;
double fcy_i = 0.0;
double fcz_i = 0.0;
Expand All @@ -97,9 +92,10 @@ class Force<MemorySpace, HertzianModel>
double Sn = 0.0;
if ( delta_n < 0.0 )
{
coeff =
min( 0.0, -coeff_h_n * pow( abs( delta_n ), 3.0 / 2.0 ) );
Sn = 2.0 * Es * sqrt( Rs * abs( delta_n ) );
coeff = Kokkos::min(
0.0, -coeff_h_n *
Kokkos::pow( Kokkos::abs( delta_n ), 3.0 / 2.0 ) );
Sn = 2.0 * Es * Kokkos::sqrt( Rs * Kokkos::abs( delta_n ) );
}

coeff /= vol( i );
Expand All @@ -118,7 +114,7 @@ class Force<MemorySpace, HertzianModel>
vy, vz, vn );

double ms = ( rho( i ) * vol( i ) ) / 2.0;
double fnd = coeff_h_d * sqrt( Sn * ms ) * vn / vol( i );
double fnd = coeff_h_d * Kokkos::sqrt( Sn * ms ) * vn / vol( i );

fcx_i = fnd * rx / r;
fcy_i = fnd * ry / r;
Expand Down
13 changes: 5 additions & 8 deletions src/force/CabanaPD_HertzianContact.hpp
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Expand Up @@ -12,7 +12,7 @@
#ifndef CONTACTMODEL_HERTZIAN_H
#define CONTACTMODEL_HERTZIAN_H

#include <cmath>
#include <Kokkos_Core.hpp>

#include <CabanaPD_Force.hpp>
#include <CabanaPD_Input.hpp>
Expand Down Expand Up @@ -46,17 +46,14 @@ struct HertzianModel : public ContactModel
void set_param( const double _radius, const double _nu, const double _E,
const double _e )
{
using Kokkos::log;
using Kokkos::pow;
using Kokkos::sqrt;

nu = _nu;
radius = _radius;
Rs = 0.5 * radius;
Es = _E / ( 2.0 * pow( 1.0 - nu, 2.0 ) );
Es = _E / ( 2.0 * Kokkos::pow( 1.0 - nu, 2.0 ) );
e = _e;
double ln_e = log( e );
beta = -ln_e / sqrt( pow( ln_e, 2.0 ) + pow( pi, 2.0 ) );
double ln_e = Kokkos::log( e );
beta = -ln_e / Kokkos::sqrt( Kokkos::pow( ln_e, 2.0 ) +
Kokkos::pow( pi, 2.0 ) );
}
};

Expand Down
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