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move calculation of number of neighbors to Neighbor class

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this allows reusing the code in the ImbalanceNeigh class
This commit is contained in:
Axel Kohlmeyer
2022-03-09 23:18:28 -05:00
parent 3ef02edb48
commit 26c0b9cf87
4 changed files with 73 additions and 68 deletions
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61
src/finish.cpp
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@ -479,62 +479,25 @@ void Finish::end(int flag)
mesg += "\n";
}
// find a non-skip neighbor list containing half pairwise interactions
// count neighbors in that list for stats purposes
// allow it to be Kokkos neigh list as well
for (m = 0; m < neighbor->old_nrequest; m++)
if (neighbor->old_requests[m]->half &&
neighbor->old_requests[m]->skip == 0 &&
neighbor->lists[m] && neighbor->lists[m]->numneigh) break;
nneigh = 0;
if (m < neighbor->old_nrequest) {
if (!neighbor->lists[m]->kokkos) {
int inum = neighbor->lists[m]->inum;
int *ilist = neighbor->lists[m]->ilist;
int *numneigh = neighbor->lists[m]->numneigh;
for (i = 0; i < inum; i++)
nneigh += numneigh[ilist[i]];
} else if (lmp->kokkos) nneigh = lmp->kokkos->neigh_count(m);
tmp = neighbor->get_nneigh_half();
if (tmp > 0) {
stats(1,&tmp,&ave,&max,&min,10,histo);
if (me == 0) {
mesg += fmt::format("Neighs: {:11.6} ave {:11.6g} max {:11.6g} min\n",ave,max,min);
mesg += "Histogram:";
for (i = 0; i < 10; i++) mesg += fmt::format(" {}",histo[i]);
mesg += "\n";
}
}
tmp = nneigh;
stats(1,&tmp,&ave,&max,&min,10,histo);
if (me == 0) {
mesg += fmt::format("Neighs: {:11.6} ave {:11.6g} max {:11.6g} min\n",ave,max,min);
mesg += "Histogram:";
for (i = 0; i < 10; i++) mesg += fmt::format(" {}",histo[i]);
mesg += "\n";
}
// find a non-skip neighbor list containing full pairwise interactions
// count neighbors in that list for stats purposes
// allow it to be Kokkos neigh list as well
for (m = 0; m < neighbor->old_nrequest; m++)
if (neighbor->old_requests[m]->full &&
neighbor->old_requests[m]->skip == 0) break;
nneighfull = 0;
if (m < neighbor->old_nrequest) {
if (!neighbor->lists[m]->kokkos && neighbor->lists[m]->numneigh) {
int inum = neighbor->lists[m]->inum;
int *ilist = neighbor->lists[m]->ilist;
int *numneigh = neighbor->lists[m]->numneigh;
for (i = 0; i < inum; i++)
nneighfull += numneigh[ilist[i]];
} else if (lmp->kokkos)
nneighfull = lmp->kokkos->neigh_count(m);
tmp = nneighfull;
tmp = neighbor->get_nneigh_full();
if (tmp > 0) {
stats(1,&tmp,&ave,&max,&min,10,histo);
if (me == 0) {
mesg += fmt::format("FullNghs: {:11.6} ave {:11.6g} max {:11.6g} min\n",ave,max,min);
mesg += "Histogram:";
for (i = 0; i < 10; i++) mesg += fmt::format(" {}",histo[i]);
mesg += "\n";
}
}
if (me == 0) utils::logmesg(lmp,mesg);
@ -594,7 +557,7 @@ void Finish::end(int flag)
}
/* ---------------------------------------------------------------------- */
// FIXME: should use bigint here.
void Finish::stats(int n, double *data,
double *pave, double *pmax, double *pmin,
int nhisto, int *histo)