Debug

Author: abkein

src/compute_cluster_size_ext.cpp

@@ -253,7 +253,11 @@ void ComputeClusterSizeExt::compute_vector()
     clstr.l_size = ns[2 * clidx + 1];
     clstr.rearrange();
     auto clatoms = clstr.atoms();
-    for (int i = 0; i < clstr.l_size; ++i) { peratom_size[clatoms[i]] = clstr.g_size; }
+    const auto clatoms = clstr.atoms();
+    for (int i = 0; i < clstr.l_size; ++i) {
+      if (clatoms[i] >= atom->nlocal) { error->one(FLERR, "{}/pre_exchange:{}: particle index exceeds nlocal", style, comm->me); }
+      peratom_size[clatoms[i]] = clstr.g_size;
+    }
     if ((clstr.g_size < size_cutoff) && (clstr.g_size > 1)) { cbs_all[clstr.g_size].push_back(clidx); }
     if (clstr.host == comm->me) {
       if (clstr.g_size < size_cutoff) { dist_local[clstr.g_size] += 1; }

src/fix_cluster_crush_delete.cpp

@@ -352,7 +352,7 @@ void FixClusterCrushDelete::pre_exchange()
   if (update->ntimestep < next_step) { return; }
   next_step = update->ntimestep + nevery;
 
-  if (compute_cluster_size->invoked_vector < update->ntimestep) { compute_cluster_size->compute_vector(); }
+  if (compute_cluster_size->invoked_vector != update->ntimestep) { compute_cluster_size->compute_vector(); }
   const auto& cIDs_by_size = compute_cluster_size->get_cIDs_by_size();
 
   if (nloc < atom->nlocal) {