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Fix perf regression

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This commit is contained in:
Stan Moore
2023-10-17 14:18:16 -06:00
parent 750957d585
commit c051a4cf2d
1 changed files with 7 additions and 7 deletions
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14
src/KOKKOS/npair_kokkos.cpp
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@ -1353,11 +1353,11 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeGPU(typename Kokkos::TeamP
other_x[MY_II + atoms_per_bin] = ytmp;
other_x[MY_II + 2 * atoms_per_bin] = ztmp;
other_x[MY_II + 3 * atoms_per_bin] = itype;
other_x[MY_II + 4 * atoms_per_bin] = radi;
if (HalfNeigh && Newton && Tri) {
itag = tag(i);
other_x[MY_II + 4 * atoms_per_bin] = itag;
other_x[MY_II + 5 * atoms_per_bin] = itag;
}
other_x[MY_II + 5 * atoms_per_bin] = radi;
}
other_id[MY_II] = i;
#if defined(KOKKOS_ENABLE_CUDA) || defined(KOKKOS_ENABLE_HIP)
@ -1392,7 +1392,7 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeGPU(typename Kokkos::TeamP
const X_FLOAT dely = ytmp - other_x[m + atoms_per_bin];
const X_FLOAT delz = ztmp - other_x[m + 2 * atoms_per_bin];
const X_FLOAT rsq = delx*delx + dely*dely + delz*delz;
const X_FLOAT radsum = radi + other_x[m + 5 * atoms_per_bin];
const X_FLOAT radsum = radi + other_x[m + 4 * atoms_per_bin];
const X_FLOAT cutsq = (radsum + skin) * (radsum + skin);
if (rsq <= cutsq) {
@ -1449,9 +1449,9 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeGPU(typename Kokkos::TeamP
other_x[MY_II + atoms_per_bin] = x(j, 1);
other_x[MY_II + 2 * atoms_per_bin] = x(j, 2);
other_x[MY_II + 3 * atoms_per_bin] = type(j);
other_x[MY_II + 4 * atoms_per_bin] = radius(j);
if (HalfNeigh && Newton && Tri)
other_x[MY_II + 4 * atoms_per_bin] = tag(j);
other_x[MY_II + 5 * atoms_per_bin] = radius(j);
other_x[MY_II + 5 * atoms_per_bin] = tag(j);
}
other_id[MY_II] = j;
@ -1475,7 +1475,7 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeGPU(typename Kokkos::TeamP
if (HalfNeigh && Newton && Tri) {
if (j <= i) continue;
if (j >= nlocal) {
const tagint jtag = other_x[m + 4 * atoms_per_bin];
const tagint jtag = other_x[m + 5 * atoms_per_bin];
if (itag > jtag) {
if ((itag+jtag) % 2 == 0) continue;
} else if (itag < jtag) {
@ -1499,7 +1499,7 @@ void NeighborKokkosExecute<DeviceType>::build_ItemSizeGPU(typename Kokkos::TeamP
const X_FLOAT dely = ytmp - other_x[m + atoms_per_bin];
const X_FLOAT delz = ztmp - other_x[m + 2 * atoms_per_bin];
const X_FLOAT rsq = delx*delx + dely*dely + delz*delz;
const X_FLOAT radsum = radi + other_x[m + 5 * atoms_per_bin];
const X_FLOAT radsum = radi + other_x[m + 4 * atoms_per_bin];
const X_FLOAT cutsq = (radsum + skin) * (radsum + skin);
if (rsq <= cutsq) {