Stan Moore
Stan Moore
>You're right. Unfortunately, it just says that the job was cancelled due to time limit This sounds like an MPI hang. I don't know how to debug this without getting...
Like Trung said, I would try less nodes. Also your load imbalance (second to last column) is HUGE, you may benefit from https://docs.lammps.org/fix_balance.html.
@Bibobu any update on this PR?
@sjplimp thanks for the info, I will take a look.
I looked at this and I believe that Steve's suggestion of removing `&& !irq->cut` is correct--the reason for setting `irq->cut = 1` was replaced by the cutoff check logic above....
It turns out trimming was broken. These changes fix trimming and this circular dependency issue, without breaking https://github.com/lammps/lammps/issues/4437: ```patch diff --git a/src/neighbor.cpp b/src/neighbor.cpp index faf1b9f60d..f3bd8c58b2 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp...
@sjplimp we have 3 tests we are trying to satisfy: 1. The input in this issue for circular logic 2. The input in https://github.com/lammps/lammps/issues/4437 for compute RDF which does use...
@hagertnl nice work! This looks clean and should be good to go once you write the documentation. If you have time to port this to non-Kokkos KSPACE that would be...
@hagertnl thanks so much for working on this. Is this PR ready to merge now, or do you have more work to do?
Note that this version of Kokkos drops support for the GNU Makefile build system, and hence LAMMPS will also drop support for the GNU Makefile build system for building the...