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Remove deprecated KOKKO_HAVE macros

This commit is contained in:
Stan Moore 2019-03-07 10:17:32 -07:00
parent c0ce8591e7
commit f0e48931e4
92 changed files with 117 additions and 117 deletions
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2
src/KOKKOS/angle_charmm_kokkos.cpp
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@ -447,7 +447,7 @@ void AngleCharmmKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in
namespace LAMMPS_NS {
template class AngleCharmmKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class AngleCharmmKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/angle_class2_kokkos.cpp
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@ -598,7 +598,7 @@ void AngleClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in
namespace LAMMPS_NS {
template class AngleClass2Kokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class AngleClass2Kokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/angle_cosine_kokkos.cpp
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@ -387,7 +387,7 @@ void AngleCosineKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const in
namespace LAMMPS_NS {
template class AngleCosineKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class AngleCosineKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/angle_harmonic_kokkos.cpp
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@ -405,7 +405,7 @@ void AngleHarmonicKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i, const
namespace LAMMPS_NS {
template class AngleHarmonicKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class AngleHarmonicKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/atom_vec_kokkos.h
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@ -125,7 +125,7 @@ class AtomVecKokkos : public AtomVec {
size_t buffer_size;
void* buffer;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template<class ViewType>
Kokkos::View<typename ViewType::data_type,
typename ViewType::array_layout,

2
src/KOKKOS/bond_class2_kokkos.cpp
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@ -366,7 +366,7 @@ void BondClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const in
namespace LAMMPS_NS {
template class BondClass2Kokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class BondClass2Kokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/bond_fene_kokkos.cpp
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@ -401,7 +401,7 @@ void BondFENEKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const int
namespace LAMMPS_NS {
template class BondFENEKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class BondFENEKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/bond_harmonic_kokkos.cpp
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@ -340,7 +340,7 @@ void BondHarmonicKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const
namespace LAMMPS_NS {
template class BondHarmonicKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class BondHarmonicKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/compute_temp_kokkos.cpp
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@ -153,7 +153,7 @@ void ComputeTempKokkos<DeviceType>::operator()(TagComputeTempVector<RMASS>, cons
namespace LAMMPS_NS {
template class ComputeTempKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class ComputeTempKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/dihedral_charmm_kokkos.cpp
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@ -786,7 +786,7 @@ void DihedralCharmmKokkos<DeviceType>::ev_tally(EVM_FLOAT &evm, const int i, con
namespace LAMMPS_NS {
template class DihedralCharmmKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class DihedralCharmmKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/dihedral_class2_kokkos.cpp
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@ -1127,7 +1127,7 @@ void DihedralClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, cons
namespace LAMMPS_NS {
template class DihedralClass2Kokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class DihedralClass2Kokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/dihedral_opls_kokkos.cpp
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@ -536,7 +536,7 @@ void DihedralOPLSKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, const
namespace LAMMPS_NS {
template class DihedralOPLSKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class DihedralOPLSKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_dpd_energy_kokkos.cpp
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@ -90,7 +90,7 @@ void FixDPDenergyKokkos<DeviceType>::final_integrate()
namespace LAMMPS_NS {
template class FixDPDenergyKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixDPDenergyKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_enforce2d_kokkos.cpp
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@ -162,7 +162,7 @@ void FixEnforce2DKokkos<DeviceType>::post_force_item( int i ) const
namespace LAMMPS_NS {
template class FixEnforce2DKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixEnforce2DKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_eos_table_rx_kokkos.cpp
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@ -563,7 +563,7 @@ void FixEOStableRXKokkos<DeviceType>::create_kokkos_tables()
namespace LAMMPS_NS {
template class FixEOStableRXKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixEOStableRXKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_freeze_kokkos.cpp
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@ -118,7 +118,7 @@ void FixFreezeKokkos<DeviceType>::operator()(const int i, OriginalForce &origina
namespace LAMMPS_NS {
template class FixFreezeKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixFreezeKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_gravity_kokkos.cpp
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@ -115,7 +115,7 @@ void FixGravityKokkos<DeviceType>::operator()(TagFixGravityMass, const int i, do
namespace LAMMPS_NS {
template class FixGravityKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixGravityKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_langevin_kokkos.cpp
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@ -774,7 +774,7 @@ void FixLangevinKokkos<DeviceType>::cleanup_copy()
namespace LAMMPS_NS {
template class FixLangevinKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixLangevinKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_momentum_kokkos.cpp
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@ -199,7 +199,7 @@ void FixMomentumKokkos<DeviceType>::end_of_step()
namespace LAMMPS_NS {
template class FixMomentumKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixMomentumKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_neigh_history_kokkos.cpp
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@ -329,7 +329,7 @@ int FixNeighHistoryKokkos<DeviceType>::unpack_exchange(int nlocal, double *buf)
namespace LAMMPS_NS {
template class FixNeighHistoryKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixNeighHistoryKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_nh_kokkos.cpp
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@ -733,7 +733,7 @@ void FixNHKokkos<DeviceType>::pre_exchange()
namespace LAMMPS_NS {
template class FixNHKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixNHKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_nph_kokkos.cpp
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@ -71,7 +71,7 @@ FixNPHKokkos<DeviceType>::FixNPHKokkos(LAMMPS *lmp, int narg, char **arg) :
namespace LAMMPS_NS {
template class FixNPHKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixNPHKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_npt_kokkos.cpp
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@ -71,7 +71,7 @@ FixNPTKokkos<DeviceType>::FixNPTKokkos(LAMMPS *lmp, int narg, char **arg) :
namespace LAMMPS_NS {
template class FixNPTKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixNPTKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_nve_kokkos.cpp
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@ -172,7 +172,7 @@ void FixNVEKokkos<DeviceType>::cleanup_copy()
namespace LAMMPS_NS {
template class FixNVEKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixNVEKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_nve_sphere_kokkos.cpp
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@ -149,7 +149,7 @@ void FixNVESphereKokkos<DeviceType>::final_integrate_item(const int i) const
namespace LAMMPS_NS {
template class FixNVESphereKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixNVESphereKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_nvt_kokkos.cpp
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@ -52,7 +52,7 @@ FixNVTKokkos<DeviceType>::FixNVTKokkos(LAMMPS *lmp, int narg, char **arg) :
namespace LAMMPS_NS {
template class FixNVTKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixNVTKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_qeq_reax_kokkos.cpp
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@ -1266,7 +1266,7 @@ int FixQEqReaxKokkos<DeviceType>::unpack_exchange(int nlocal, double *buf)
namespace LAMMPS_NS {
template class FixQEqReaxKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixQEqReaxKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_rx_kokkos.cpp
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@ -2276,7 +2276,7 @@ void FixRxKokkos<DeviceType>::unpack_reverse_comm(int n, int *list, double *buf)
namespace LAMMPS_NS {
template class FixRxKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixRxKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_setforce_kokkos.cpp
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@ -184,7 +184,7 @@ void FixSetForceKokkos<DeviceType>::operator()(TagFixSetForceNonConstant, const
namespace LAMMPS_NS {
template class FixSetForceKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixSetForceKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_shardlow_kokkos.cpp
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@ -808,7 +808,7 @@ double FixShardlowKokkos<DeviceType>::memory_usage()
namespace LAMMPS_NS {
template class FixShardlowKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixShardlowKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_wall_lj93_kokkos.cpp
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@ -98,7 +98,7 @@ void FixWallLJ93Kokkos<DeviceType>::wall_particle_item(int i, value_type ewall)
namespace LAMMPS_NS {
template class FixWallLJ93Kokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixWallLJ93Kokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/fix_wall_reflect_kokkos.cpp
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@ -107,7 +107,7 @@ void FixWallReflectKokkos<DeviceType>::operator()(TagFixWallReflectPostIntegrate
namespace LAMMPS_NS {
template class FixWallReflectKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class FixWallReflectKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/gridcomm_kokkos.cpp
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@ -652,7 +652,7 @@ double GridCommKokkos<DeviceType>::memory_usage()
namespace LAMMPS_NS {
template class GridCommKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class GridCommKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/improper_class2_kokkos.cpp
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@ -1134,7 +1134,7 @@ void ImproperClass2Kokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, cons
namespace LAMMPS_NS {
template class ImproperClass2Kokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class ImproperClass2Kokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/improper_harmonic_kokkos.cpp
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@ -484,7 +484,7 @@ void ImproperHarmonicKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int i1, co
namespace LAMMPS_NS {
template class ImproperHarmonicKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class ImproperHarmonicKokkos<LMPHostType>;
#endif
}

10
src/KOKKOS/kokkos.cpp
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@ -26,7 +26,7 @@
#include "error.h"
#include "memory_kokkos.h"
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
// for detecting GPU-direct support:
// the function int have_gpu_direct()
@ -55,7 +55,7 @@ GPU_DIRECT_UNKNOWN
GPU_DIRECT_UNKNOWN
#endif
#endif // KOKKOS_HAVE_CUDA
#endif // KOKKOS_ENABLE_CUDA
using namespace LAMMPS_NS;
@ -92,7 +92,7 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
} else if (strcmp(arg[iarg],"g") == 0 ||
strcmp(arg[iarg],"gpus") == 0) {
#ifndef KOKKOS_HAVE_CUDA
#ifndef KOKKOS_ENABLE_CUDA
error->all(FLERR,"GPUs are requested but Kokkos has not been compiled for CUDA");
#endif
if (iarg+2 > narg) error->all(FLERR,"Invalid Kokkos command-line args");
@ -142,7 +142,7 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
if (logfile) fprintf(logfile," will use up to %d GPU(s) per node\n",ngpu);
}
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
if (ngpu <= 0)
error->all(FLERR,"Kokkos has been compiled for CUDA but no GPUs are requested");
@ -166,7 +166,7 @@ KokkosLMP::KokkosLMP(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
}
#endif
#ifndef KOKKOS_HAVE_SERIAL
#ifndef KOKKOS_ENABLE_SERIAL
if (num_threads == 1)
error->warning(FLERR,"When using a single thread, the Kokkos Serial backend "
"(i.e. Makefile.kokkos_mpi_only) gives better performance "

10
src/KOKKOS/kokkos_type.h
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@ -24,7 +24,7 @@
enum{FULL=1u,HALFTHREAD=2u,HALF=4u,N2=8u};
#if defined(KOKKOS_HAVE_CXX11)
#if defined(KOKKOS_ENABLE_CXX11)
#undef ISFINITE
#define ISFINITE(x) std::isfinite(x)
#endif
@ -201,7 +201,7 @@ template<>
struct ExecutionSpaceFromDevice<LMPHostType> {
static const LAMMPS_NS::ExecutionSpace space = LAMMPS_NS::Host;
};
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template<>
struct ExecutionSpaceFromDevice<Kokkos::Cuda> {
static const LAMMPS_NS::ExecutionSpace space = LAMMPS_NS::Device;
@ -776,7 +776,7 @@ typedef tdual_int_64::t_dev_um t_int_64_um;
};
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template <>
struct ArrayTypes<LMPHostType> {
@ -1087,12 +1087,12 @@ struct params_lj_coul {
F_FLOAT cut_ljsq,cut_coulsq,lj1,lj2,lj3,lj4,offset;
};
#if defined(KOKKOS_HAVE_CXX11)
#if defined(KOKKOS_ENABLE_CXX11)
#undef ISFINITE
#define ISFINITE(x) std::isfinite(x)
#endif
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
#define LAMMPS_LAMBDA [=] __device__
#else
#define LAMMPS_LAMBDA [=]

2
src/KOKKOS/nbin_kokkos.cpp
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@ -146,7 +146,7 @@ void NBinKokkos<DeviceType>::binatomsItem(const int &i) const
namespace LAMMPS_NS {
template class NBinKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NBinKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/nbin_ssa_kokkos.cpp
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@ -301,7 +301,7 @@ void NBinSSAKokkos<DeviceType>::sortBin(
namespace LAMMPS_NS {
template class NBinSSAKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NBinSSAKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/neigh_bond_kokkos.cpp
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@ -1301,7 +1301,7 @@ void NeighBondKokkos<DeviceType>::update_domain_variables()
namespace LAMMPS_NS {
template class NeighBondKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NeighBondKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/neigh_list_kokkos.cpp
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@ -53,7 +53,7 @@ void NeighListKokkos<Device>::grow(int nmax)
namespace LAMMPS_NS {
template class NeighListKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NeighListKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/npair_copy_kokkos.cpp
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@ -53,7 +53,7 @@ void NPairCopyKokkos<DeviceType>::build(NeighList *list)
namespace LAMMPS_NS {
template class NPairCopyKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NPairCopyKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/npair_halffull_kokkos.cpp
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@ -121,7 +121,7 @@ void NPairHalffullKokkos<DeviceType,NEWTON>::operator()(TagNPairHalffullCompute,
namespace LAMMPS_NS {
template class NPairHalffullKokkos<LMPDeviceType,0>;
template class NPairHalffullKokkos<LMPDeviceType,1>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NPairHalffullKokkos<LMPHostType,0>;
template class NPairHalffullKokkos<LMPHostType,1>;
#endif

16
src/KOKKOS/npair_kokkos.cpp
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@ -187,7 +187,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
Kokkos::deep_copy(data.resize, data.h_resize);
Kokkos::deep_copy(data.new_maxneighs, data.h_new_maxneighs);
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
#define BINS_PER_BLOCK 2
const int factor = atoms_per_bin<64?2:1;
Kokkos::TeamPolicy<DeviceType> config((mbins+factor-1)/factor,atoms_per_bin*factor);
@ -202,7 +202,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
if (newton_pair) {
if (SIZE) {
NPairKokkosBuildFunctorSize<DeviceType,TRI?0:HALF_NEIGH,1,TRI> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
Kokkos::parallel_for(config, f);
else
@ -212,7 +212,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
#endif
} else {
NPairKokkosBuildFunctor<DeviceType,TRI?0:HALF_NEIGH,1,TRI> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
Kokkos::parallel_for(config, f);
else
@ -224,7 +224,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
} else {
if (SIZE) {
NPairKokkosBuildFunctorSize<DeviceType,HALF_NEIGH,0,0> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
Kokkos::parallel_for(config, f);
else
@ -234,7 +234,7 @@ void NPairKokkos<DeviceType,HALF_NEIGH,GHOST,TRI,SIZE>::build(NeighList *list_)
#endif
} else {
NPairKokkosBuildFunctor<DeviceType,HALF_NEIGH,0,0> f(data,atoms_per_bin * 5 * sizeof(X_FLOAT) * factor);
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
if (ExecutionSpaceFromDevice<DeviceType>::space == Device)
Kokkos::parallel_for(config, f);
else
@ -470,7 +470,7 @@ void NeighborKokkosExecute<DeviceType>::
/* ---------------------------------------------------------------------- */
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
extern __shared__ X_FLOAT sharedmem[];
/* ---------------------------------------------------------------------- */
@ -910,7 +910,7 @@ void NeighborKokkosExecute<DeviceType>::
/* ---------------------------------------------------------------------- */
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template<class DeviceType> template<int HalfNeigh,int Newton,int Tri>
__device__ inline
void NeighborKokkosExecute<DeviceType>::build_ItemSizeCuda(typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const
@ -1093,7 +1093,7 @@ template class NPairKokkos<LMPDeviceType,1,1,0,0>;
template class NPairKokkos<LMPDeviceType,1,0,1,0>;
template class NPairKokkos<LMPDeviceType,1,0,0,1>;
template class NPairKokkos<LMPDeviceType,1,0,1,1>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NPairKokkos<LMPHostType,0,0,0,0>;
template class NPairKokkos<LMPHostType,0,1,0,0>;
template class NPairKokkos<LMPHostType,1,0,0,0>;

6
src/KOKKOS/npair_kokkos.h
View File

@ -311,7 +311,7 @@ class NeighborKokkosExecute
KOKKOS_FUNCTION
void build_ItemSize(const int &i) const;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template<int HalfNeigh, int Newton, int Tri>
__device__ inline
void build_ItemCuda(typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const;
@ -388,7 +388,7 @@ struct NPairKokkosBuildFunctor {
void operator() (const int & i) const {
c.template build_Item<HALF_NEIGH,GHOST_NEWTON,TRI>(i);
}
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
__device__ inline
void operator() (typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const {
@ -449,7 +449,7 @@ struct NPairKokkosBuildFunctorSize {
c.template build_ItemSize<HALF_NEIGH,GHOST_NEWTON,TRI>(i);
}
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
__device__ inline
void operator() (typename Kokkos::TeamPolicy<DeviceType>::member_type dev) const {
c.template build_ItemSizeCuda<HALF_NEIGH,GHOST_NEWTON,TRI>(dev);

2
src/KOKKOS/npair_skip_kokkos.cpp
View File

@ -151,7 +151,7 @@ void NPairSkipKokkos<DeviceType>::operator()(TagNPairSkipCountLocal, const int &
namespace LAMMPS_NS {
template class NPairSkipKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NPairSkipKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/npair_ssa_kokkos.cpp
View File

@ -751,7 +751,7 @@ void NPairSSAKokkosExecute<DeviceType>::build_ghosts_onePhase(int workPhase) con
namespace LAMMPS_NS {
template class NPairSSAKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class NPairSSAKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_buck_coul_cut_kokkos.cpp
View File

@ -360,7 +360,7 @@ double PairBuckCoulCutKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairBuckCoulCutKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairBuckCoulCutKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_buck_coul_long_kokkos.cpp
View File

@ -522,7 +522,7 @@ double PairBuckCoulLongKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairBuckCoulLongKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairBuckCoulLongKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_buck_kokkos.cpp
View File

@ -274,7 +274,7 @@ double PairBuckKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairBuckKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairBuckKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_coul_cut_kokkos.cpp
View File

@ -280,7 +280,7 @@ double PairCoulCutKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairCoulCutKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairCoulCutKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_coul_debye_kokkos.cpp
View File

@ -323,7 +323,7 @@ double PairCoulDebyeKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairCoulDebyeKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairCoulDebyeKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_coul_dsf_kokkos.cpp
View File

@ -422,7 +422,7 @@ int PairCoulDSFKokkos<DeviceType>::sbmask(const int& j) const {
namespace LAMMPS_NS {
template class PairCoulDSFKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairCoulDSFKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_coul_long_kokkos.cpp
View File

@ -471,7 +471,7 @@ double PairCoulLongKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairCoulLongKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairCoulLongKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_coul_wolf_kokkos.cpp
View File

@ -424,7 +424,7 @@ int PairCoulWolfKokkos<DeviceType>::sbmask(const int& j) const {
namespace LAMMPS_NS {
template class PairCoulWolfKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairCoulWolfKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp
View File

@ -795,7 +795,7 @@ int PairDPDfdtEnergyKokkos<DeviceType>::sbmask(const int& j) const {
namespace LAMMPS_NS {
template class PairDPDfdtEnergyKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairDPDfdtEnergyKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_eam_alloy_kokkos.cpp
View File

@ -1199,7 +1199,7 @@ void PairEAMAlloyKokkos<DeviceType>::file2array_alloy()
namespace LAMMPS_NS {
template class PairEAMAlloyKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairEAMAlloyKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_eam_fs_kokkos.cpp
View File

@ -1208,7 +1208,7 @@ void PairEAMFSKokkos<DeviceType>::file2array_fs()
namespace LAMMPS_NS {
template class PairEAMFSKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairEAMFSKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_eam_kokkos.cpp
View File

@ -899,7 +899,7 @@ void PairEAMKokkos<DeviceType>::ev_tally(EV_FLOAT &ev, const int &i, const int &
namespace LAMMPS_NS {
template class PairEAMKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairEAMKokkos<LMPHostType>;
#endif
}

16
src/KOKKOS/pair_exp6_rx_kokkos.cpp
View File

@ -232,7 +232,7 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
} else
Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairExp6rxZeroMixingWeights>(0,np_total),*this);
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPairExp6rxgetMixingWeights>(0,np_total),*this);
#else
int errorFlag = 0;
@ -277,7 +277,7 @@ void PairExp6rxKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
EV_FLOAT ev;
#ifdef KOKKOS_HAVE_CUDA // Use atomics
#ifdef KOKKOS_ENABLE_CUDA // Use atomics
if (neighflag == HALF) {
if (newton_pair) {
@ -814,7 +814,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxComputeNoAtomics<NEIG
}
int tid = 0;
#ifndef KOKKOS_HAVE_CUDA
#ifndef KOKKOS_ENABLE_CUDA
typedef Kokkos::Experimental::UniqueToken<
DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type;
unique_token_type unique_token;
@ -1156,7 +1156,7 @@ void PairExp6rxKokkos<DeviceType>::operator()(TagPairExp6rxComputeNoAtomics<NEIG
t_uCG(tid,i) += uCG_i;
t_uCGnew(tid,i) += uCGnew_i;
#ifndef KOKKOS_HAVE_CUDA
#ifndef KOKKOS_ENABLE_CUDA
unique_token.release(tid);
#endif
}
@ -1189,7 +1189,7 @@ void PairExp6rxKokkos<DeviceType>::vectorized_operator(const int &ii, EV_FLOAT&
Kokkos::View<E_FLOAT*, typename DAT::t_efloat_1d::array_layout,DeviceType,Kokkos::MemoryTraits<AtomicF<NEIGHFLAG>::value> > a_uCGnew = uCGnew;
int tid = 0;
#ifndef KOKKOS_HAVE_CUDA
#ifndef KOKKOS_ENABLE_CUDA
typedef Kokkos::Experimental::UniqueToken<
DeviceType, Kokkos::Experimental::UniqueTokenScope::Global> unique_token_type;
unique_token_type unique_token;
@ -1623,7 +1623,7 @@ void PairExp6rxKokkos<DeviceType>::vectorized_operator(const int &ii, EV_FLOAT&
t_uCGnew(tid,i) += uCGnew_i;
}
#ifndef KOKKOS_HAVE_CUDA
#ifndef KOKKOS_ENABLE_CUDA
unique_token.release(tid);
#endif
}
@ -2128,7 +2128,7 @@ void partition_range( const int begin, const int end, int &thread_begin, int &th
/* ---------------------------------------------------------------------- */
#ifndef KOKKOS_HAVE_CUDA
#ifndef KOKKOS_ENABLE_CUDA
template<class DeviceType>
template<class ArrayT>
void PairExp6rxKokkos<DeviceType>::getMixingWeightsVect(const int np_total, int errorFlag,
@ -2654,7 +2654,7 @@ int PairExp6rxKokkos<DeviceType>::sbmask(const int& j) const {
namespace LAMMPS_NS {
template class PairExp6rxKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairExp6rxKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_gran_hooke_history_kokkos.cpp
View File

@ -581,7 +581,7 @@ void PairGranHookeHistoryKokkos<DeviceType>::ev_tally_xyz_atom(EV_FLOAT &ev, int
namespace LAMMPS_NS {
template class PairGranHookeHistoryKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairGranHookeHistoryKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.cpp
View File

@ -528,7 +528,7 @@ double PairLJCharmmCoulCharmmImplicitKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCharmmCoulCharmmImplicitKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCharmmCoulCharmmImplicitKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp
View File

@ -529,7 +529,7 @@ double PairLJCharmmCoulCharmmKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCharmmCoulCharmmKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCharmmCoulCharmmKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_charmm_coul_long_kokkos.cpp
View File

@ -536,7 +536,7 @@ double PairLJCharmmCoulLongKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCharmmCoulLongKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCharmmCoulLongKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_class2_coul_cut_kokkos.cpp
View File

@ -364,7 +364,7 @@ double PairLJClass2CoulCutKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJClass2CoulCutKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJClass2CoulCutKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_class2_coul_long_kokkos.cpp
View File

@ -517,7 +517,7 @@ double PairLJClass2CoulLongKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJClass2CoulLongKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJClass2CoulLongKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_class2_kokkos.cpp
View File

@ -292,7 +292,7 @@ double PairLJClass2Kokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJClass2Kokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJClass2Kokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp
View File

@ -357,7 +357,7 @@ double PairLJCutCoulCutKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCutCoulCutKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCutCoulCutKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_cut_coul_debye_kokkos.cpp
View File

@ -386,7 +386,7 @@ double PairLJCutCoulDebyeKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCutCoulDebyeKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCutCoulDebyeKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.cpp
View File

@ -377,7 +377,7 @@ double PairLJCutCoulDSFKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCutCoulDSFKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCutCoulDSFKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp
View File

@ -515,7 +515,7 @@ double PairLJCutCoulLongKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCutCoulLongKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCutCoulLongKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_cut_kokkos.cpp
View File

@ -289,7 +289,7 @@ double PairLJCutKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJCutKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJCutKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_expand_kokkos.cpp
View File

@ -297,7 +297,7 @@ double PairLJExpandKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJExpandKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJExpandKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.cpp
View File

@ -516,7 +516,7 @@ double PairLJGromacsCoulGromacsKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJGromacsCoulGromacsKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJGromacsCoulGromacsKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_gromacs_kokkos.cpp
View File

@ -348,7 +348,7 @@ double PairLJGromacsKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJGromacsKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJGromacsKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_lj_sdk_kokkos.cpp
View File

@ -326,7 +326,7 @@ double PairLJSDKKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairLJSDKKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairLJSDKKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_morse_kokkos.cpp
View File

@ -303,7 +303,7 @@ double PairMorseKokkos<DeviceType>::init_one(int i, int j)
namespace LAMMPS_NS {
template class PairMorseKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairMorseKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp
View File

@ -993,7 +993,7 @@ void PairMultiLucyRXKokkos<DeviceType>::settings(int narg, char **arg)
namespace LAMMPS_NS {
template class PairMultiLucyRXKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairMultiLucyRXKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_reaxc_kokkos.cpp
View File

@ -4292,7 +4292,7 @@ void PairReaxCKokkos<DeviceType>::operator()(PairReaxFindBondSpecies, const int
}
template class PairReaxCKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairReaxCKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_snap_kokkos.cpp
View File

@ -16,7 +16,7 @@
namespace LAMMPS_NS {
template class PairSNAPKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairSNAPKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_sw_kokkos.cpp
View File

@ -972,7 +972,7 @@ void PairSWKokkos<DeviceType>::ev_tally3_atom(EV_FLOAT &ev, const int &i,
namespace LAMMPS_NS {
template class PairSWKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairSWKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_table_kokkos.cpp
View File

@ -550,7 +550,7 @@ void PairTableKokkos<DeviceType>::cleanup_copy() {
namespace LAMMPS_NS {
template class PairTableKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairTableKokkos<LMPHostType>;
#endif

2
src/KOKKOS/pair_table_rx_kokkos.cpp
View File

@ -1301,7 +1301,7 @@ void PairTableRXKokkos<DeviceType>::cleanup_copy() {
namespace LAMMPS_NS {
template class PairTableRXKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairTableRXKokkos<LMPHostType>;
#endif

2
src/KOKKOS/pair_tersoff_kokkos.cpp
View File

@ -1289,7 +1289,7 @@ int PairTersoffKokkos<DeviceType>::sbmask(const int& j) const {
namespace LAMMPS_NS {
template class PairTersoffKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairTersoffKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_tersoff_mod_kokkos.cpp
View File

@ -1292,7 +1292,7 @@ int PairTersoffMODKokkos<DeviceType>::sbmask(const int& j) const {
namespace LAMMPS_NS {
template class PairTersoffMODKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairTersoffMODKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_tersoff_zbl_kokkos.cpp
View File

@ -1386,7 +1386,7 @@ int PairTersoffZBLKokkos<DeviceType>::sbmask(const int& j) const {
namespace LAMMPS_NS {
template class PairTersoffZBLKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairTersoffZBLKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_vashishta_kokkos.cpp
View File

@ -947,7 +947,7 @@ void PairVashishtaKokkos<DeviceType>::ev_tally3_atom(EV_FLOAT &ev, const int &i,
namespace LAMMPS_NS {
template class PairVashishtaKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairVashishtaKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_yukawa_kokkos.cpp
View File

@ -295,7 +295,7 @@ compute_evdwl(const F_FLOAT& rsq, const int& i, const int&j,
namespace LAMMPS_NS {
template class PairYukawaKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairYukawaKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/pair_zbl_kokkos.cpp
View File

@ -433,7 +433,7 @@ void PairZBLKokkos<DeviceType>::cleanup_copy() {
namespace LAMMPS_NS {
template class PairZBLKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PairZBLKokkos<LMPHostType>;
#endif
}

4
src/KOKKOS/pppm_kokkos.cpp
View File

@ -1648,7 +1648,7 @@ void PPPMKokkos<DeviceType>::make_rho()
nlocal = atomKK->nlocal;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
copymode = 1;
Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType, TagPPPM_make_rho_atomic>(0,nlocal),*this);
copymode = 0;
@ -3121,7 +3121,7 @@ double PPPMKokkos<DeviceType>::memory_usage()
namespace LAMMPS_NS {
template class PPPMKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class PPPMKokkos<LMPHostType>;
#endif
}

2
src/KOKKOS/rand_pool_wrap_kokkos.h
View File

@ -50,7 +50,7 @@ class RandPoolWrap : protected Pointers {
KOKKOS_INLINE_FUNCTION
RandWrap get_state() const
{
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
error->all(FLERR,"Cannot use Marsaglia RNG with GPUs");
#endif

2
src/KOKKOS/region_block_kokkos.cpp
View File

@ -167,7 +167,7 @@ void RegBlockKokkos<DeviceType>::rotate(double &x, double &y, double &z, double
namespace LAMMPS_NS {
template class RegBlockKokkos<LMPDeviceType>;
#ifdef KOKKOS_HAVE_CUDA
#ifdef KOKKOS_ENABLE_CUDA
template class RegBlockKokkos<LMPHostType>;
#endif
}