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cleanup

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This commit is contained in:
alphataubio
2024-10-30 21:44:27 -04:00
parent 84e234921b
commit 9aa9e7079a
1 changed files with 14 additions and 29 deletions
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43
src/KOKKOS/fix_cmap_kokkos.cpp
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@ -686,7 +686,6 @@ int FixCMAPKokkos<DeviceType>::pack_exchange_kokkos(
auto l_crossterm_atom3 = d_crossterm_atom3; auto l_crossterm_atom3 = d_crossterm_atom3;
auto l_crossterm_atom4 = d_crossterm_atom4; auto l_crossterm_atom4 = d_crossterm_atom4;
auto l_crossterm_atom5 = d_crossterm_atom5; auto l_crossterm_atom5 = d_crossterm_atom5;
//auto l_nsend = nsend;
auto l_count = d_count; auto l_count = d_count;
copymode = 1; copymode = 1;
@ -702,20 +701,13 @@ int FixCMAPKokkos<DeviceType>::pack_exchange_kokkos(
d_buf(mysend) = d_ubuf(m).d; d_buf(mysend) = d_ubuf(m).d;
d_buf(m++) = d_ubuf(l_num_crossterm(i)).d; d_buf(m++) = d_ubuf(l_num_crossterm(i)).d;
if( l_num_crossterm(i) > 0 ) { for (int k = 0; k < l_num_crossterm(i); k++) {
d_buf(m++) = d_ubuf(l_crossterm_type(i,k)).d;
for (int k = 0; k < l_num_crossterm(i); k++) { d_buf(m++) = d_ubuf(l_crossterm_atom1(i,k)).d;
d_buf(m++) = d_ubuf(l_crossterm_atom2(i,k)).d;
d_buf(m++) = d_ubuf(l_crossterm_type(i,k)).d; d_buf(m++) = d_ubuf(l_crossterm_atom3(i,k)).d;
d_buf(m++) = d_ubuf(l_crossterm_atom1(i,k)).d; d_buf(m++) = d_ubuf(l_crossterm_atom4(i,k)).d;
d_buf(m++) = d_ubuf(l_crossterm_atom2(i,k)).d; d_buf(m++) = d_ubuf(l_crossterm_atom5(i,k)).d;
d_buf(m++) = d_ubuf(l_crossterm_atom3(i,k)).d;
d_buf(m++) = d_ubuf(l_crossterm_atom4(i,k)).d;
d_buf(m++) = d_ubuf(l_crossterm_atom5(i,k)).d;
Kokkos::printf(" *** pack_exchange_kokkos() ... mysend %i i %i l_nsend %i offset %i m %i l_num_crossterm(i) %i l_crossterm_type(i,k) %i k %i d_buf[] %i %i %i %i %i %i %i\n", mysend, i, nsend, offset, m, l_num_crossterm(i), l_crossterm_type(i,k), k, d_ubuf(d_buf(m-7)).i, d_ubuf(d_buf(m-6)).i, d_ubuf(d_buf(m-5)).i, d_ubuf(d_buf(m-4)).i, d_ubuf(d_buf(m-3)).i, d_ubuf(d_buf(m-2)).i, d_ubuf(d_buf(m-1)).i);
}
} }
if (mysend == nsend-1) l_count() = m; if (mysend == nsend-1) l_count() = m;
@ -765,13 +757,7 @@ void FixCMAPKokkos<DeviceType>::unpack_exchange_kokkos(
{ {
k_buf.template sync<DeviceType>(); k_buf.template sync<DeviceType>();
k_indices.template sync<DeviceType>(); k_indices.template sync<DeviceType>();
auto d_buf = typename ArrayTypes<DeviceType>::t_xfloat_1d_um(
k_buf.template view<DeviceType>().data(),
k_buf.extent(0)*k_buf.extent(1));
auto d_indices = k_indices.template view<DeviceType>();
k_num_crossterm.template sync<DeviceType>(); k_num_crossterm.template sync<DeviceType>();
k_crossterm_type.template sync<DeviceType>(); k_crossterm_type.template sync<DeviceType>();
k_crossterm_atom1.template sync<DeviceType>(); k_crossterm_atom1.template sync<DeviceType>();
@ -780,6 +766,12 @@ void FixCMAPKokkos<DeviceType>::unpack_exchange_kokkos(
k_crossterm_atom4.template sync<DeviceType>(); k_crossterm_atom4.template sync<DeviceType>();
k_crossterm_atom5.template sync<DeviceType>(); k_crossterm_atom5.template sync<DeviceType>();
auto d_buf = typename ArrayTypes<DeviceType>::t_xfloat_1d_um(
k_buf.template view<DeviceType>().data(),
k_buf.extent(0)*k_buf.extent(1));
auto d_indices = k_indices.template view<DeviceType>();
auto l_num_crossterm = d_num_crossterm; auto l_num_crossterm = d_num_crossterm;
auto l_crossterm_type = d_crossterm_type; auto l_crossterm_type = d_crossterm_type;
auto l_crossterm_atom1 = d_crossterm_atom1; auto l_crossterm_atom1 = d_crossterm_atom1;
@ -792,14 +784,10 @@ void FixCMAPKokkos<DeviceType>::unpack_exchange_kokkos(
Kokkos::parallel_for(nrecv, KOKKOS_LAMBDA(const int &i) { Kokkos::parallel_for(nrecv, KOKKOS_LAMBDA(const int &i) {
int index = d_indices(i); int index = d_indices(i);
if (index > -1) { if (index > -1) {
int m = d_ubuf(d_buf(i)).i; int m = d_ubuf(d_buf(i)).i;
if (i >= nrecv1) m = nextrarecv1 + d_ubuf(d_buf(nextrarecv1 + i - nrecv1)).i; if (i >= nrecv1) m = nextrarecv1 + d_ubuf(d_buf(nextrarecv1 + i - nrecv1)).i;
l_num_crossterm(index) = static_cast<int> (d_ubuf(d_buf(m++)).i); l_num_crossterm(index) = static_cast<int> (d_ubuf(d_buf(m++)).i);
for (int k = 0; k < l_num_crossterm(index); k++) { for (int k = 0; k < l_num_crossterm(index); k++) {
l_crossterm_type(index,k) = static_cast<int> (d_ubuf(d_buf(m++)).i); l_crossterm_type(index,k) = static_cast<int> (d_ubuf(d_buf(m++)).i);
l_crossterm_atom1(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i); l_crossterm_atom1(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i);
@ -807,9 +795,6 @@ void FixCMAPKokkos<DeviceType>::unpack_exchange_kokkos(
l_crossterm_atom3(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i); l_crossterm_atom3(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i);
l_crossterm_atom4(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i); l_crossterm_atom4(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i);
l_crossterm_atom5(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i); l_crossterm_atom5(index,k) = static_cast<tagint> (d_ubuf(d_buf(m++)).i);
Kokkos::printf(" *** unpack_exchange_kokkos() ... m %i l_num_crossterm(index) %i l_crossterm_type %i l_crossterm_atom1-5 %i %i %i %i %i \n", m, l_num_crossterm(index), l_crossterm_type(index,k), l_crossterm_atom1(index,k), l_crossterm_atom2(index,k), l_crossterm_atom3(index,k), l_crossterm_atom4(index,k), l_crossterm_atom5(index,k));
} }
} }
}); });