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Fix compile issues with Kokkos

This commit is contained in:
Stan Moore 2020-03-25 16:12:37 -06:00
parent 50935b5cbc
commit 36b826348b
2 changed files with 5 additions and 5 deletions
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8
src/KOKKOS/pair_snap_kokkos_impl.h
View File

@ -229,7 +229,7 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
if (lmp->kokkos->ngpus != 0) {
vector_length = 32;
team_size = 32;//max_neighs;
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPPreUi>::team_size_max(*this);
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPPreUi>(chunk_size,Kokkos::AUTO).team_size_max(*this,Kokkos::ParallelForTag());
if (team_size*vector_length > team_size_max)
team_size = team_size_max/vector_length;
}
@ -251,7 +251,7 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
// ComputeUi
int vector_length = 32;
int team_size = 4; // need to cap b/c of shared memory reqs
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeUi>::team_size_max(*this);
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeUi>(chunk_size,Kokkos::AUTO).team_size_max(*this,Kokkos::ParallelForTag());
if (team_size*vector_length > team_size_max)
team_size = team_size_max/vector_length;
@ -294,7 +294,7 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
{
int vector_length = 1;
int team_size = 1;
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPZeroYi>::team_size_max(*this);
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPZeroYi>(chunk_size,Kokkos::AUTO).team_size_max(*this,Kokkos::ParallelForTag());
#ifdef KOKKOS_ENABLE_CUDA
team_size = 128;
@ -325,7 +325,7 @@ void PairSNAPKokkos<DeviceType>::compute(int eflag_in, int vflag_in)
Kokkos::parallel_for("ComputeDeidrjCPU",policy_deidrj_cpu,*this);
} else { // GPU, utilize scratch memory and splitting over dimensions, fused dui and dei
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeFusedDeidrj>::team_size_max(*this);
int team_size_max = Kokkos::TeamPolicy<DeviceType, TagPairSNAPComputeFusedDeidrj>(chunk_size,Kokkos::AUTO).team_size_max(*this,Kokkos::ParallelForTag());
int vector_length = 32;
int team_size = 2; // need to cap b/c of shared memory reqs
if (team_size*vector_length > team_size_max)

2
src/KOKKOS/sna_kokkos_impl.h
View File

@ -1024,7 +1024,7 @@ void SNAKokkos<DeviceType>::compute_uarray_cpu(const typename Kokkos::TeamPolicy
const int jju_index = jju+mb+mb*j+ma;
const int jjup_index = jjup+mb*j+ma;
rootpq = rootpqarray(j - ma,j - mb);
ulist(jju_index,iatom,jnbor,jju).re +=
ulist(jju_index,iatom,jnbor).re +=
rootpq *
(a_r * ulist(jjup_index,iatom,jnbor).re +
a_i * ulist(jjup_index,iatom,jnbor).im);