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simplified neighbor list copying to avoid possible same-timestep re-build issues

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This commit is contained in:
Steve Plimpton
2017-01-19 17:01:15 -07:00
parent 3af4b3c28c
commit 9a299875da
21 changed files with 222 additions and 233 deletions
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86
src/neighbor.cpp
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@ -695,27 +695,38 @@ void Neighbor::init_pair()
}
// (C) rule:
// for fix/compute requests, occasional or not does not matter
// for fix/compute requests to be copied:
// 1st check:
// occasional or not does not matter
// Kokkos host/device flags must match
// SSA flag must match
// newton setting must match (else list has different neighbors in it)
// 2nd check:
// if request = half and non-skip/copy pair half/respaouter request exists,
// or if request = full and non-skip/copy pair full request exists,
// or if request = gran and non-skip/copy pair gran request exists,
// then morph to copy of the matching parent list
// 2nd check: only if no match to 1st check
// 3rd check: only if no match to 1st check
// if request = half and non-skip/copy pair full request exists,
// then morph to half_from_full of the matching parent list
// for 1st or 2nd check, parent can be copy list or pair or fix
int inewton,jnewton;
for (i = 0; i < nrequest; i++) {
if (!requests[i]->fix && !requests[i]->compute) continue;
for (j = 0; j < nrequest; j++) {
// Kokkos flags must match
if (requests[i]->kokkos_device != requests[j]->kokkos_device) continue;
if (requests[i]->kokkos_host != requests[j]->kokkos_host) continue;
if (requests[i]->ssa != requests[j]->ssa) continue;
// newton 2 and newton 0 both are newton off
if ((requests[i]->newton & 2) != (requests[j]->newton & 2)) continue;
// IJ newton = 1 for newton on, 2 for newton off
inewton = requests[i]->newton;
if (inewton == 0) inewton = force->newton_pair ? 1 : 2;
jnewton = requests[i]->newton;
if (jnewton == 0) jnewton = force->newton_pair ? 1 : 2;
if (inewton != jnewton) continue;
if (requests[i]->half && requests[j]->pair &&
!requests[j]->skip && requests[j]->half && !requests[j]->copy)
@ -899,33 +910,37 @@ void Neighbor::init_pair()
}
// reorder plist vector if necessary
// relevant for lists that copy/skip/half-full from parent
// relevant for lists that are derived from a parent list:
// half-full,copy,skip
// the child index must appear in plist after the parent index
// swap two indices within plist when dependency is mis-ordered
// done when entire pass thru plist results in no swaps
// start double loop check again whenever a swap is made
// done when entire double loop test results in no swaps
NeighList *ptr;
int done = 0;
while (!done) {
done = 1;
for (i = 0; i < npair_perpetual; i++) {
ptr = NULL;
if (lists[plist[i]]->listfull) ptr = lists[plist[i]]->listfull;
if (lists[plist[i]]->listcopy) ptr = lists[plist[i]]->listcopy;
// listskip check must be after listfull check
if (lists[plist[i]]->listskip) ptr = lists[plist[i]]->listskip;
if (ptr == NULL) continue;
for (m = 0; m < nrequest; m++)
if (ptr == lists[m]) break;
for (j = 0; j < npair_perpetual; j++)
if (m == plist[j]) break;
if (j < i) continue;
int tmp = plist[i]; // swap I,J indices
plist[i] = plist[j];
plist[j] = tmp;
done = 0;
break;
for (k = 0; k < 3; k++) {
ptr = NULL;
if (k == 0) ptr = lists[plist[i]]->listcopy;
if (k == 1) ptr = lists[plist[i]]->listskip;
if (k == 2) ptr = lists[plist[i]]->listfull;
if (ptr == NULL) continue;
for (m = 0; m < nrequest; m++)
if (ptr == lists[m]) break;
for (j = 0; j < npair_perpetual; j++)
if (m == plist[j]) break;
if (j < i) continue;
int tmp = plist[i]; // swap I,J indices
plist[i] = plist[j];
plist[j] = tmp;
done = 0;
break;
}
if (!done) break;
}
}
@ -1841,7 +1856,7 @@ void Neighbor::build_one(class NeighList *mylist, int preflag)
// create stencil if hasn't been created since last setup_bins() call
NStencil *ns = np->ns;
if (ns && ns->last_create < last_setup_bins) {
if (ns && ns->last_stencil < last_setup_bins) {
ns->create_setup();
ns->create();
}
@ -1874,29 +1889,22 @@ void Neighbor::set(int narg, char **arg)
/* ----------------------------------------------------------------------
reset timestamps in all NeignBin, NStencil, NPair classes
so that neighbor lists will rebuild properly with timestep change
ditto for lastcall and last_setup_bins
------------------------------------------------------------------------- */
void Neighbor::reset_timestep(bigint ntimestep)
{
for (int i = 0; i < nbin; i++) {
neigh_bin[i]->last_setup = -1;
for (int i = 0; i < nbin; i++)
neigh_bin[i]->last_bin = -1;
neigh_bin[i]->last_bin_memory = -1;
}
for (int i = 0; i < nstencil; i++) {
neigh_stencil[i]->last_create = -1;
neigh_stencil[i]->last_stencil_memory = -1;
neigh_stencil[i]->last_copy_bin = -1;
}
for (int i = 0; i < nstencil; i++)
neigh_stencil[i]->last_stencil = -1;
for (int i = 0; i < nlist; i++) {
if (!neigh_pair[i]) continue;
neigh_pair[i]->last_build = -1;
neigh_pair[i]->last_copy_bin_setup = -1;
neigh_pair[i]->last_copy_bin = -1;
neigh_pair[i]->last_copy_stencil = -1;
}
lastcall = -1;
last_setup_bins = -1;
}
/* ----------------------------------------------------------------------