diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index dcfd2ff131c1526b79175b15c92482e9cf1c8b29..aa1210caadf1f7247006daecdc7763a095a8b25f 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -712,13 +712,14 @@ void ComputeChunkAtom::compute_ichunk() return; } - invoked_ichunk = update->ntimestep; - // assign chunk IDs to atoms // will exclude atoms not in group or in optional region // already invoked if this is same timestep as last setup_chunks() + // however, when between runs or using rerun, we need it again. - if (update->ntimestep > invoked_setup) assign_chunk_ids(); + if ((update->ntimestep > invoked_setup) || (invoked_ichunk < 0)) assign_chunk_ids(); + + invoked_ichunk = update->ntimestep; // compress chunk IDs via hash of the original uncompressed IDs // also apply discard rule except for binning styles which already did