Debug

abkein · Jan 17, 2025 · b053f41 · b053f41
1 parent 4658905
commit b053f41
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Showing 2 changed files with 15 additions and 15 deletions.
diff --git a/src/compute_cluster_size_ext.cpp b/src/compute_cluster_size_ext.cpp
@@ -199,17 +199,17 @@ void ComputeClusterSizeExt::compute_vector()
     }
   }
 
-  // add ghost atoms
-  for (int i = atom->nlocal; i < atom->nmax; ++i) {
-    if ((atom->mask[i] & groupbit) != 0) {
-      const auto clid = static_cast<int>(cluster_ids[i]);
-      if (cmap.count(clid) > 0) {
-        cluster_data& clstr = clusters[cmap[clid]];
-        // also possible segfault if number of ghost exceeds LMP_NUCC_CLUSTER_MAX_GHOST
-        clstr.ghost_initial()[clstr.nghost++] = i;
-      }
-    }
-  }
+  // // add ghost atoms
+  // for (int i = atom->nlocal; i < atom->nmax; ++i) {
+  //   if ((atom->mask[i] & groupbit) != 0) {
+  //     const auto clid = static_cast<int>(cluster_ids[i]);
+  //     if (cmap.count(clid) > 0) {
+  //       cluster_data& clstr = clusters[cmap[clid]];
+  //       // also possible segfault if number of ghost exceeds LMP_NUCC_CLUSTER_MAX_GHOST
+  //       clstr.ghost_initial()[clstr.nghost++] = i;
+  //     }
+  //   }
+  // }
 
   for (const auto& [clid, clidx] : cmap) {
     cluster_data& clstr = clusters[clidx];
@@ -271,7 +271,7 @@ void ComputeClusterSizeExt::compute_vector()
       if (clatoms[i] >= atom->nlocal) { error->one(FLERR, "{}/compute_vector_3:{}: particle index exceeds nlocal", style, comm->me); }
     }
     clstr.l_size = ns[2 * clidx + 1];
-    clstr.rearrange();
+    // clstr.rearrange();
     for (int i = 0; i < clstr.l_size; ++i) {
       if (clatoms[i] >= atom->nlocal) { error->one(FLERR, "{}/compute_vector_4:{}: particle index exceeds nlocal", style, comm->me); }
       peratom_size[clatoms[i]] = clstr.g_size;

diff --git a/src/nucc_cluster_data.hpp b/src/nucc_cluster_data.hpp
@@ -8,7 +8,7 @@ namespace NUCC {
 struct cluster_data {
   explicit cluster_data(const int _clid) : clid(_clid) {}
 
-  void rearrange() noexcept { ::memcpy(_atoms + l_size, _ghost, nghost * sizeof(int)); }
+  // void rearrange() noexcept { ::memcpy(_atoms + l_size, _ghost, nghost * sizeof(int)); }
 
   NUCC::cspan<const int> atoms_all() const { return std::span<const int>(_atoms, l_size + nghost); }
 
@@ -21,7 +21,7 @@ struct cluster_data {
 
   NUCC::cspan<const int> atoms() const { return std::span<const int>(_atoms, l_size); }
 
-  NUCC::cspan<int, LMP_NUCC_CLUSTER_MAX_GHOST> ghost_initial() { return std::span<int, LMP_NUCC_CLUSTER_MAX_GHOST>(_ghost, nghost); }
+  // NUCC::cspan<int, LMP_NUCC_CLUSTER_MAX_GHOST> ghost_initial() { return std::span<int, LMP_NUCC_CLUSTER_MAX_GHOST>(_ghost, nghost); }
 
   NUCC::cspan<const int> ghost() const { return std::span<const int>(_atoms + l_size, nghost); }
 
@@ -44,7 +44,7 @@ struct cluster_data {
  private:
   int _owners[LMP_NUCC_CLUSTER_MAX_OWNERS];    // procs owning some cluster's atoms
   int _atoms[LMP_NUCC_CLUSTER_MAX_SIZE];       // local ids of atoms
-  int _ghost[LMP_NUCC_CLUSTER_MAX_GHOST];      // local ids of ghost atoms
+  // int _ghost[LMP_NUCC_CLUSTER_MAX_GHOST];      // local ids of ghost atoms
 };
 
 }    //  namespace NUCC