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Adding full neighbor list check for new reduced comm

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This commit is contained in:
Joel Clemmer
2020-12-20 17:18:32 -07:00
parent bce37abe8f
commit 5ae32146eb
3 changed files with 21 additions and 9 deletions
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16
src/comm.cpp
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@ -242,15 +242,13 @@ void Comm::init()
for (int i = 0; i < nfix; i++)
if (fix[i]->maxexchange_dynamic) maxexchange_fix_dynamic = 1;
// Can't used multi_reduce communication with Newton off
// TODO: need to somehow restrict this option with full neighbor lists
// CANNOT use multi_reduce communication with full nlist
// Could remove NP_NEWTON from npair_full_*multi_reduce*, but could be cryptic
// Also could be cases where you want newton off (hybrid) but don't use multi_reduce comm
// Could add check on neighbor build, if full and comm->multi_reduce error...
// or just add check on comm setup - is that run before every run? Only if box change...
if (force->newton == 0 && multi_reduce)
error->all(FLERR,"Cannot use multi/reduce communication with Newton off");
// Can't used multi/reduce communication with Newton off or full neighbor lits
if(multi_reduce){
if (force->newton == 0)
error->all(FLERR,"Cannot use multi/reduce communication with Newton off");
if (neighbor->any_full())
error->all(FLERR,"Cannot use multi/reduce communication with a full neighbor list");
}
}
/* ----------------------------------------------------------------------