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Update fix_cmap_kokkos.cpp

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alphataubio
2024-10-28 18:37:21 -04:00
parent e4a9b06320
commit 7ffe6aefce
1 changed files with 5 additions and 3 deletions
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6
src/KOKKOS/fix_cmap_kokkos.cpp
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@ -705,7 +705,7 @@ int FixCMAPKokkos<DeviceType>::pack_exchange_kokkos(
const int k = d_copylist(mysend);
if (k > -1) {
Kokkos::printf(" *** ok 2 ... i %i k %i\n", i, k);
// Kokkos::printf(" *** ok 2 ... i %i k %i\n", i, k);
l_num_crossterm(i) = l_num_crossterm(k);
for (int m = 0; m < l_num_crossterm(k); m++) {
@ -720,6 +720,8 @@ int FixCMAPKokkos<DeviceType>::pack_exchange_kokkos(
}
},n);
Kokkos::printf(" *** ok 3 ... n %i \n", n);
copymode = 0;
k_buf.modify<DeviceType>();
@ -776,7 +778,7 @@ void FixCMAPKokkos<DeviceType>::unpack_exchange_kokkos(
auto l_crossterm_atom4 = d_crossterm_atom4;
auto l_crossterm_atom5 = d_crossterm_atom5;
Kokkos::parallel_for(nrecv, KOKKOS_LAMBDA(const int &i) {
Kokkos::parallel_for(nextrarecv1, KOKKOS_LAMBDA(const int &i) {
int index = d_indices(i);
if (index > -1) {