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whitespace cleanup

This commit is contained in:
Axel Kohlmeyer 2020-03-25 06:52:37 -04:00
parent 3704d90efb
commit 398c030925
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GPG Key ID: D9B44E93BF0C375A
1 changed files with 9 additions and 9 deletions
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18
src/KOKKOS/sna_kokkos_impl.h
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@ -382,7 +382,7 @@ void SNAKokkos<DeviceType>::compute_ui(const typename Kokkos::TeamPolicy<DeviceT
const SNAcomplex u_up2 = (ma > 0)?rootpq2*buf1[jjup_shared_idx-1]:SNAcomplex(0.,0.);
//const SNAcomplex u_up2 = (ma > 0)?rootpq2*ulist(jjup_index-1,iatom,jnbor):SNAcomplex(0.,0.);
caconjxpy(b, u_up2, u_accum);
// VMK recursion relation: grab contribution which is multiplied by a*
const double rootpq1 = rootpqarray(j - ma, j - mb);
const SNAcomplex u_up1 = (ma < j)?rootpq1*buf1[jjup_shared_idx]:SNAcomplex(0.,0.);
@ -399,12 +399,12 @@ void SNAKokkos<DeviceType>::compute_ui(const typename Kokkos::TeamPolicy<DeviceT
// copy left side to right side with inversion symmetry VMK 4.4(2)
// u[ma-j,mb-j] = (-1)^(ma-mb)*Conj([u[ma,mb))
// if j is even (-> physical j integer), last element maps to self, skip
//if (!(m == total_iters - 1 && j % 2 == 0)) {
//if (!(m == total_iters - 1 && j % 2 == 0)) {
if (m < total_iters - 1 || j % 2 == 1) {
const int sign_factor = (((ma+mb)%2==0)?1:-1);
const int jju_shared_flip = (j+1-mb)*(j+1)-(ma+1);
const int jjup_flip = jju + jju_shared_flip; // jju+(j+1-mb)*(j+1)-(ma+1);
if (sign_factor == 1) {
u_accum.im = -u_accum.im;
@ -419,12 +419,12 @@ void SNAKokkos<DeviceType>::compute_ui(const typename Kokkos::TeamPolicy<DeviceT
}
});
// In CUDA backend,
// ThreadVectorRange has a __syncwarp (appropriately masked for
// ThreadVectorRange has a __syncwarp (appropriately masked for
// vector lengths < 32) implict at the end
// swap double buffers
auto tmp = buf1; buf1 = buf2; buf2 = tmp;
}
}
@ -760,7 +760,7 @@ void SNAKokkos<DeviceType>::compute_fused_deidrj(const typename Kokkos::TeamPoli
// copy left side to right side with inversion symmetry VMK 4.4(2)
// u[ma-j][mb-j] = (-1)^(ma-mb)*Conj([u[ma][mb])
if (j%2==1 && mb+1==n_mb) {
int sign_factor = (((ma+mb)%2==0)?1:-1);
int sign_factor = (((ma+mb)%2==0)?1:-1);
//const int jjup_flip = jju+(j+1-mb)*(j+1)-(ma+1); // no longer needed b/c we don't update dulist
const int jju_shared_flip = (j+1-mb)*(j+1)-(ma+1);
@ -787,18 +787,18 @@ void SNAKokkos<DeviceType>::compute_fused_deidrj(const typename Kokkos::TeamPoli
auto tmp = ulist_buf1; ulist_buf1 = ulist_buf2; ulist_buf2 = tmp;
tmp = dulist_buf1; dulist_buf1 = dulist_buf2; dulist_buf2 = tmp;
// Accumulate dedr. This "should" be in a single, but
// Accumulate dedr. This "should" be in a single, but
// a Kokkos::single call implies a warp sync, and we may
// as well avoid that. This does no harm as long as the
// final assignment is in a single block.
//Kokkos::single(Kokkos::PerThread(team), [=]() {
dedr_full_sum += dedr_sum;
dedr_full_sum += dedr_sum;
//});
}
// Store the accumulated dedr.
Kokkos::single(Kokkos::PerThread(team), [&] () {
dedr(iatom,jnbor,dir) = dedr_full_sum*2.0;
dedr(iatom,jnbor,dir) = dedr_full_sum*2.0;
});
}