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Formatting tweak

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This commit is contained in:
Stan Gerald Moore
2021-01-05 08:34:08 -07:00
parent 973c230185
commit 12ccc00ac9
2 changed files with 16 additions and 16 deletions
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24
src/KOKKOS/pair_snap_kokkos_impl.h
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@ -299,10 +299,10 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::compute(int eflag_in, int
Kokkos::DefaultExecutionSpace::scratch_memory_space, Kokkos::DefaultExecutionSpace::scratch_memory_space,
Kokkos::MemoryTraits<Kokkos::Unmanaged> > Kokkos::MemoryTraits<Kokkos::Unmanaged> >
ScratchViewType; ScratchViewType;
int scratch_size = ScratchViewType::shmem_size( team_size * max_neighs ); int scratch_size = ScratchViewType::shmem_size(team_size * max_neighs);
typename Kokkos::TeamPolicy<DeviceType,TagPairSNAPComputeNeigh> policy_neigh(chunk_size,team_size,vector_length); typename Kokkos::TeamPolicy<DeviceType,TagPairSNAPComputeNeigh> policy_neigh(chunk_size,team_size,vector_length);
policy_neigh = policy_neigh.set_scratch_size(0, Kokkos::PerTeam( scratch_size )); policy_neigh = policy_neigh.set_scratch_size(0, Kokkos::PerTeam(scratch_size));
Kokkos::parallel_for("ComputeNeigh",policy_neigh,*this); Kokkos::parallel_for("ComputeNeigh",policy_neigh,*this);
} }
@ -334,7 +334,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::compute(int eflag_in, int
Kokkos::DefaultExecutionSpace::scratch_memory_space, Kokkos::DefaultExecutionSpace::scratch_memory_space,
Kokkos::MemoryTraits<Kokkos::Unmanaged> > Kokkos::MemoryTraits<Kokkos::Unmanaged> >
ScratchViewType; ScratchViewType;
int scratch_size = ScratchViewType::shmem_size( team_size * tile_size ); int scratch_size = ScratchViewType::shmem_size(team_size * tile_size);
// total number of teams needed // total number of teams needed
int chunk_size_div = (chunk_size + vector_length - 1) / vector_length; int chunk_size_div = (chunk_size + vector_length - 1) / vector_length;
@ -344,7 +344,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::compute(int eflag_in, int
int n_teams_div = (n_teams + team_size - 1) / team_size; int n_teams_div = (n_teams + team_size - 1) / team_size;
typename Kokkos::TeamPolicy<DeviceType,TagPairSNAPComputeUi> policy_ui(n_teams_div, team_size, vector_length); typename Kokkos::TeamPolicy<DeviceType,TagPairSNAPComputeUi> policy_ui(n_teams_div, team_size, vector_length);
policy_ui = policy_ui.set_scratch_size(0, Kokkos::PerTeam( scratch_size )); policy_ui = policy_ui.set_scratch_size(0, Kokkos::PerTeam(scratch_size));
Kokkos::parallel_for("ComputeUi",policy_ui,*this); Kokkos::parallel_for("ComputeUi",policy_ui,*this);
@ -401,7 +401,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::compute(int eflag_in, int
Kokkos::DefaultExecutionSpace::scratch_memory_space, Kokkos::DefaultExecutionSpace::scratch_memory_space,
Kokkos::MemoryTraits<Kokkos::Unmanaged> > Kokkos::MemoryTraits<Kokkos::Unmanaged> >
ScratchViewType; ScratchViewType;
int scratch_size = ScratchViewType::shmem_size( 2 * team_size * tile_size ); int scratch_size = ScratchViewType::shmem_size(2 * team_size * tile_size);
// total number of teams needed // total number of teams needed
int chunk_size_div = (chunk_size + vector_length - 1) / vector_length; int chunk_size_div = (chunk_size + vector_length - 1) / vector_length;
@ -411,7 +411,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::compute(int eflag_in, int
int n_teams_div = (n_teams + team_size - 1) / team_size; int n_teams_div = (n_teams + team_size - 1) / team_size;
typename Kokkos::TeamPolicy<DeviceType,TagPairSNAPComputeFusedDeidrj> policy_fused_deidrj(n_teams_div,team_size,vector_length); typename Kokkos::TeamPolicy<DeviceType,TagPairSNAPComputeFusedDeidrj> policy_fused_deidrj(n_teams_div,team_size,vector_length);
policy_fused_deidrj = policy_fused_deidrj.set_scratch_size(0, Kokkos::PerTeam( scratch_size )); policy_fused_deidrj = policy_fused_deidrj.set_scratch_size(0, Kokkos::PerTeam(scratch_size));
for (int k = 0; k < 3; k++) { for (int k = 0; k < 3; k++) {
snaKK.set_dir(k); snaKK.set_dir(k);
@ -631,7 +631,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::operator() (TagPairSNAPCom
const int tile_size = max_neighs; // number of elements per thread const int tile_size = max_neighs; // number of elements per thread
const int team_rank = team.team_rank(); const int team_rank = team.team_rank();
const int scratch_shift = team_rank * tile_size; // offset into pointer for entire team const int scratch_shift = team_rank * tile_size; // offset into pointer for entire team
int* type_cache = (int*)team.team_shmem( ).get_shmem(team.team_size() * tile_size * sizeof(int), 0) + scratch_shift; int* type_cache = (int*)team.team_shmem().get_shmem(team.team_size() * tile_size * sizeof(int), 0) + scratch_shift;
// Load various info about myself up front // Load various info about myself up front
const int i = d_ilist[ii + chunk_offset]; const int i = d_ilist[ii + chunk_offset];
@ -668,7 +668,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::operator() (TagPairSNAPCom
type_cache[jj] = jtype; type_cache[jj] = jtype;
if ( jtype >= 0 ) if (jtype >= 0)
count++; count++;
}, ninside); }, ninside);
@ -679,7 +679,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::operator() (TagPairSNAPCom
const int jtype = type_cache[jj]; const int jtype = type_cache[jj];
if ( jtype >= 0 ) { if (jtype >= 0) {
if (final) { if (final) {
T_INT j = d_neighbors(i,jj); T_INT j = d_neighbors(i,jj);
const F_FLOAT dx = x(j,0) - xtmp; const F_FLOAT dx = x(j,0) - xtmp;
@ -778,7 +778,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::operator() (TagPairSNAPTra
if (mapper.flip_sign == 1) { if (mapper.flip_sign == 1) {
utot_im = -utot_im; utot_im = -utot_im;
} else if (mapper.flip_sign == -1 ) { } else if (mapper.flip_sign == -1) {
utot_re = -utot_re; utot_re = -utot_re;
} }
@ -957,7 +957,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::operator() (TagPairSNAPCom
const int jtype = type(j); const int jtype = type(j);
const F_FLOAT rsq = dx*dx + dy*dy + dz*dz; const F_FLOAT rsq = dx*dx + dy*dy + dz*dz;
if ( rsq < rnd_cutsq(itype,jtype) ) if (rsq < rnd_cutsq(itype,jtype))
count++; count++;
}); });
},ninside); },ninside);
@ -977,7 +977,7 @@ void PairSNAPKokkos<DeviceType, real, vector_length>::operator() (TagPairSNAPCom
const F_FLOAT rsq = dx*dx + dy*dy + dz*dz; const F_FLOAT rsq = dx*dx + dy*dy + dz*dz;
const int elem_j = d_map[jtype]; const int elem_j = d_map[jtype];
if ( rsq < rnd_cutsq(itype,jtype) ) { if (rsq < rnd_cutsq(itype,jtype)) {
if (final) { if (final) {
my_sna.rij(ii,offset,0) = static_cast<real>(dx); my_sna.rij(ii,offset,0) = static_cast<real>(dx);
my_sna.rij(ii,offset,1) = static_cast<real>(dy); my_sna.rij(ii,offset,1) = static_cast<real>(dy);

8
src/KOKKOS/sna_kokkos_impl.h
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@ -496,7 +496,7 @@ void SNAKokkos<DeviceType, real, vector_length>::compute_ui(const typename Kokko
const int scratch_shift = team_rank * tile_size; const int scratch_shift = team_rank * tile_size;
// extract and wrap // extract and wrap
WignerWrapper<real, vector_length> ulist_wrapper((complex*)team.team_shmem( ).get_shmem(team.team_size() * tile_size * sizeof(complex), 0) + scratch_shift, iatom_mod); WignerWrapper<real, vector_length> ulist_wrapper((complex*)team.team_shmem().get_shmem(team.team_size() * tile_size * sizeof(complex), 0) + scratch_shift, iatom_mod);
// load parameters // load parameters
@ -900,8 +900,8 @@ void SNAKokkos<DeviceType, real, vector_length>::compute_fused_deidrj(const type
const int scratch_shift = team_rank * tile_size; const int scratch_shift = team_rank * tile_size;
// extract, wrap shared memory buffer // extract, wrap shared memory buffer
WignerWrapper<real, vector_length> ulist_wrapper((complex*)team.team_shmem( ).get_shmem(team.team_size() * tile_size * sizeof(complex), 0) + scratch_shift, iatom_mod); WignerWrapper<real, vector_length> ulist_wrapper((complex*)team.team_shmem().get_shmem(team.team_size() * tile_size * sizeof(complex), 0) + scratch_shift, iatom_mod);
WignerWrapper<real, vector_length> dulist_wrapper((complex*)team.team_shmem( ).get_shmem(team.team_size() * tile_size * sizeof(complex), 0) + scratch_shift, iatom_mod); WignerWrapper<real, vector_length> dulist_wrapper((complex*)team.team_shmem().get_shmem(team.team_size() * tile_size * sizeof(complex), 0) + scratch_shift, iatom_mod);
// load parameters // load parameters
const auto a = a_pack(iatom_mod, jnbor, iatom_div); const auto a = a_pack(iatom_mod, jnbor, iatom_div);
@ -1335,7 +1335,7 @@ void SNAKokkos<DeviceType, real, vector_length>::compute_yi_cpu(int iter,
int jju1 = idxu_block[j1] + (j1 + 1) * mb1min; int jju1 = idxu_block[j1] + (j1 + 1) * mb1min;
int jju2 = idxu_block[j2] + (j2 + 1) * mb2max; int jju2 = idxu_block[j2] + (j2 + 1) * mb2max;
int icgb = mb1min * (j2 +1 ) + mb2max; int icgb = mb1min * (j2 +1) + mb2max;
for (int ib = 0; ib < nb; ib++) { for (int ib = 0; ib < nb; ib++) {