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abkein · Jan 15, 2025 · 77ef868 · 77ef868
1 parent 7aae1a0
commit 77ef868
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Showing 2 changed files with 9 additions and 3 deletions.
diff --git a/src/compute_cluster_size_ext.cpp b/src/compute_cluster_size_ext.cpp
@@ -252,7 +252,8 @@ void ComputeClusterSizeExt::compute_vector()
     cluster_data& clstr = clusters[clidx];
     clstr.l_size = ns[2 * clidx + 1];
     clstr.rearrange();
-    for (int i = 0; i < clstr.l_size; ++i) { peratom_size[clstr.atoms()[i]] = clstr.g_size; }
+    auto clatoms = clstr.atoms();
+    for (int i = 0; i < clstr.l_size; ++i) { 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; }

diff --git a/src/fix_cluster_crush_delete.cpp b/src/fix_cluster_crush_delete.cpp
@@ -372,8 +372,13 @@ void FixClusterCrushDelete::pre_exchange()
     const auto& clstr = clusters[i];
     if (clstr.g_size > kmax) {
       ++clusters2crush_local;
-      ::memcpy(p2m.offset(atoms2move_local), clstr.atoms().data(), clstr.l_size * sizeof(int));
-      atoms2move_local += clstr.l_size;
+      // ::memcpy(p2m.offset(atoms2move_local), clstr.atoms().data(), clstr.l_size * sizeof(int));
+      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); }
+        p2m[atoms2move_local++] = clatoms[i];
+      }
+      // atoms2move_local += clstr.l_size;
     }
   }