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Update FixRXKokkos for Cuda build. Added inline and other KOKKOS macros.

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- Updated the function prototypes to include the necessary KOKKOS
macros for __host__ and __device__ functions and inlined functions.
- Changed several View definitions to match the disjoint memory spaces
that only come up with Cuda builds.
This commit is contained in:
Christopher Stone
2017-02-13 10:48:30 -05:00
parent 2f32c1a9af
commit 4e9c8f4962
2 changed files with 50 additions and 16 deletions
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31
src/KOKKOS/fix_rx_kokkos.cpp
View File

@ -25,13 +25,13 @@
#include "neigh_list_kokkos.h"
#include "neigh_request.h"
#include "error.h"
#include "math_special.h"
#include "math_special_kokkos.h"
#include <float.h> // DBL_EPSILON
using namespace LAMMPS_NS;
using namespace FixConst;
using namespace MathSpecial;
using namespace MathSpecialKokkos;
#ifdef DBL_EPSILON
#define MY_EPSILON (10.0*DBL_EPSILON)
@ -425,8 +425,8 @@ int FixRxKokkos<DeviceType>::k_rkf45_h0
// should we accept this?
if (hnew_is_ok || iter == max_iters){
hnew = hg;
if (iter == max_iters)
fprintf(stderr, "ERROR_HIN_MAX_ITERS\n");
//if (iter == max_iters)
// fprintf(stderr, "ERROR_HIN_MAX_ITERS\n");
break;
}
@ -1407,6 +1407,14 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF
);
}
// Error flag for any failures.
DAT::tdual_int_scalar k_error_flag("pair:error_flag");
// Initialize and sync the device flag.
k_error_flag.h_view() = 0;
k_error_flag.template modify<LMPHostType>();
k_error_flag.template sync<DeviceType>();
// Create scratch array space.
const size_t scratchSpaceSize = (8*nspecies + 2*nreactions);
//double *scratchSpace = new double[ scratchSpaceSize * nlocal ];
@ -1483,7 +1491,11 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF
for (int ispecies = 0; ispecies < nspecies; ispecies++)
{
if (y[ispecies] < -MY_EPSILON)
error->one(FLERR,"Computed concentration in RK solver is < -10*DBL_EPSILON");
{
//error->one(FLERR,"Computed concentration in RK solver is < -10*DBL_EPSILON");
k_error_flag.d_view() = 2;
// This should be an atomic update.
}
else if (y[ispecies] < MY_EPSILON)
y[ispecies] = 0.0;
@ -1507,6 +1519,12 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF
TimerType timer_ODE = getTimeStamp();
// Check the error flag for any failures.
k_error_flag.template modify<DeviceType>();
k_error_flag.template sync<LMPHostType>();
if (k_error_flag.h_view() == 2)
error->one(FLERR,"Computed concentration in RK solver is < -10*DBL_EPSILON");
// Signal that dvector has been modified on this execution space.
atomKK->modified( execution_space, DVECTOR_MASK );
@ -1815,7 +1833,8 @@ void FixRxKokkos<DeviceType>::computeLocalTemperature()
{
// Create an atomic view of sumWeights and dpdThetaLocal. Only needed
// for Half/thread scenarios.
typedef Kokkos::View< E_FLOAT*, typename DAT::t_efloat_1d::array_layout, DeviceType, Kokkos::MemoryTraits< AtomicF< NEIGHFLAG >::value> > AtomicViewType;
//typedef Kokkos::View< E_FLOAT*, typename DAT::t_efloat_1d::array_layout, DeviceType, Kokkos::MemoryTraits< AtomicF< NEIGHFLAG >::value> > AtomicViewType;
typedef Kokkos::View< E_FLOAT*, typename DAT::t_efloat_1d::array_layout, typename DAT::t_efloat_1d::device_type, Kokkos::MemoryTraits< AtomicF< NEIGHFLAG >::value> > AtomicViewType;
AtomicViewType a_dpdThetaLocal = d_dpdThetaLocal;
AtomicViewType a_sumWeights = d_sumWeights;