xref: /petsc/src/ksp/pc/impls/bddc/bddcgraph.c (revision 98d129c30f3ee9fdddc40fdbc5a989b7be64f888) !
1 #include <petsc/private/petscimpl.h>
2 #include <petsc/private/pcbddcprivateimpl.h>
3 #include <petsc/private/pcbddcstructsimpl.h>
4 #include <petsc/private/hashmapi.h>
5 #include <petscsf.h>
6 
7 PetscErrorCode PCBDDCDestroyGraphCandidatesIS(void *ctx)
8 {
9   PCBDDCGraphCandidates cand = (PCBDDCGraphCandidates)ctx;
10 
11   PetscFunctionBegin;
12   for (PetscInt i = 0; i < cand->nfc; i++) PetscCall(ISDestroy(&cand->Faces[i]));
13   for (PetscInt i = 0; i < cand->nec; i++) PetscCall(ISDestroy(&cand->Edges[i]));
14   PetscCall(PetscFree(cand->Faces));
15   PetscCall(PetscFree(cand->Edges));
16   PetscCall(ISDestroy(&cand->Vertices));
17   PetscCall(PetscFree(cand));
18   PetscFunctionReturn(PETSC_SUCCESS);
19 }
20 
21 PetscErrorCode PCBDDCGraphGetDirichletDofsB(PCBDDCGraph graph, IS *dirdofs)
22 {
23   PetscFunctionBegin;
24   if (graph->dirdofsB) {
25     PetscCall(PetscObjectReference((PetscObject)graph->dirdofsB));
26   } else if (graph->has_dirichlet) {
27     PetscInt  i, size;
28     PetscInt *dirdofs_idxs;
29 
30     size = 0;
31     for (i = 0; i < graph->nvtxs; i++) {
32       if (graph->nodes[i].count > 1 && graph->nodes[i].special_dof == PCBDDCGRAPH_DIRICHLET_MARK) size++;
33     }
34 
35     PetscCall(PetscMalloc1(size, &dirdofs_idxs));
36     size = 0;
37     for (i = 0; i < graph->nvtxs; i++) {
38       if (graph->nodes[i].count > 1 && graph->nodes[i].special_dof == PCBDDCGRAPH_DIRICHLET_MARK) dirdofs_idxs[size++] = i;
39     }
40     PetscCall(ISCreateGeneral(PETSC_COMM_SELF, size, dirdofs_idxs, PETSC_OWN_POINTER, &graph->dirdofsB));
41     PetscCall(PetscObjectReference((PetscObject)graph->dirdofsB));
42   }
43   *dirdofs = graph->dirdofsB;
44   PetscFunctionReturn(PETSC_SUCCESS);
45 }
46 
47 PetscErrorCode PCBDDCGraphGetDirichletDofs(PCBDDCGraph graph, IS *dirdofs)
48 {
49   PetscFunctionBegin;
50   if (graph->dirdofs) {
51     PetscCall(PetscObjectReference((PetscObject)graph->dirdofs));
52   } else if (graph->has_dirichlet) {
53     PetscInt  i, size;
54     PetscInt *dirdofs_idxs;
55 
56     size = 0;
57     for (i = 0; i < graph->nvtxs; i++) {
58       if (graph->nodes[i].special_dof == PCBDDCGRAPH_DIRICHLET_MARK) size++;
59     }
60 
61     PetscCall(PetscMalloc1(size, &dirdofs_idxs));
62     size = 0;
63     for (i = 0; i < graph->nvtxs; i++) {
64       if (graph->nodes[i].special_dof == PCBDDCGRAPH_DIRICHLET_MARK) dirdofs_idxs[size++] = i;
65     }
66     PetscCall(ISCreateGeneral(PetscObjectComm((PetscObject)graph->l2gmap), size, dirdofs_idxs, PETSC_OWN_POINTER, &graph->dirdofs));
67     PetscCall(PetscObjectReference((PetscObject)graph->dirdofs));
68   }
69   *dirdofs = graph->dirdofs;
70   PetscFunctionReturn(PETSC_SUCCESS);
71 }
72 
73 PetscErrorCode PCBDDCGraphASCIIView(PCBDDCGraph graph, PetscInt verbosity_level, PetscViewer viewer)
74 {
75   PetscInt  i, j, tabs;
76   PetscInt *queue_in_global_numbering;
77 
78   PetscFunctionBegin;
79   if (!viewer) PetscCall(PetscViewerASCIIGetStdout(graph->seq_graph ? PETSC_COMM_SELF : PetscObjectComm((PetscObject)graph->l2gmap), &viewer));
80   PetscCall(PetscViewerASCIIPushSynchronized(viewer));
81   PetscCall(PetscViewerASCIIGetTab(viewer, &tabs));
82   PetscCall(PetscViewerASCIIPrintf(viewer, "--------------------------------------------------\n"));
83   PetscCall(PetscViewerFlush(viewer));
84   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Local BDDC graph for subdomain %04d (seq %d)\n", PetscGlobalRank, graph->seq_graph));
85   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Number of vertices %" PetscInt_FMT "\n", graph->nvtxs));
86   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Number of local subdomains %" PetscInt_FMT "\n", graph->n_local_subs ? graph->n_local_subs : 1));
87   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Custom minimal size %" PetscInt_FMT "\n", graph->custom_minimal_size));
88   if (graph->maxcount != PETSC_MAX_INT) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Max count %" PetscInt_FMT "\n", graph->maxcount));
89   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Topological two dim? %s (set %s)\n", PetscBools[graph->twodim], PetscBools[graph->twodimset]));
90   if (verbosity_level > 2) {
91     for (i = 0; i < graph->nvtxs; i++) {
92       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "%" PetscInt_FMT ":\n", i));
93       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   which_dof: %" PetscInt_FMT "\n", graph->nodes[i].which_dof));
94       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   special_dof: %" PetscInt_FMT "\n", graph->nodes[i].special_dof));
95       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   shared by: %" PetscInt_FMT "\n", graph->nodes[i].count));
96       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
97       if (graph->nodes[i].count) {
98         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "     set of neighbours:"));
99         for (j = 0; j < graph->nodes[i].count; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->nodes[i].neighbours_set[j]));
100         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
101       }
102       PetscCall(PetscViewerASCIISetTab(viewer, tabs));
103       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
104       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   number of local groups: %" PetscInt_FMT "\n", graph->nodes[i].local_groups_count));
105       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
106       if (graph->nodes[i].local_groups_count) {
107         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "     groups:"));
108         for (j = 0; j < graph->nodes[i].local_groups_count; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->nodes[i].local_groups[j]));
109         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
110       }
111       PetscCall(PetscViewerASCIISetTab(viewer, tabs));
112       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
113 
114       if (verbosity_level > 3) {
115         if (graph->xadj) {
116           PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   local adj list:"));
117           PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
118           for (j = graph->xadj[i]; j < graph->xadj[i + 1]; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->adjncy[j]));
119           PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
120           PetscCall(PetscViewerASCIISetTab(viewer, tabs));
121           PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
122         } else {
123           PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   no adj info\n"));
124         }
125       }
126       if (graph->n_local_subs) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   local sub id: %" PetscInt_FMT "\n", graph->local_subs[i]));
127       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   interface subset id: %" PetscInt_FMT "\n", graph->nodes[i].subset));
128       if (graph->nodes[i].subset && graph->subset_ncc) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   ncc for subset: %" PetscInt_FMT "\n", graph->subset_ncc[graph->nodes[i].subset - 1]));
129     }
130   }
131   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Total number of connected components %" PetscInt_FMT "\n", graph->ncc));
132   PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &queue_in_global_numbering));
133   PetscCall(ISLocalToGlobalMappingApply(graph->l2gmap, graph->cptr[graph->ncc], graph->queue, queue_in_global_numbering));
134   for (i = 0; i < graph->ncc; i++) {
135     PetscInt  node_num = graph->queue[graph->cptr[i]];
136     PetscBool printcc  = PETSC_FALSE;
137     PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "  cc %" PetscInt_FMT " (size %" PetscInt_FMT ", fid %" PetscInt_FMT ", neighs:", i, graph->cptr[i + 1] - graph->cptr[i], graph->nodes[node_num].which_dof));
138     PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
139     for (j = 0; j < graph->nodes[node_num].count; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->nodes[node_num].neighbours_set[j]));
140     if (verbosity_level > 1) {
141       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "):"));
142       if (verbosity_level > 2 || graph->twodim || graph->nodes[node_num].count > 2 || (graph->nodes[node_num].count == 2 && graph->nodes[node_num].special_dof == PCBDDCGRAPH_NEUMANN_MARK)) { printcc = PETSC_TRUE; }
143       if (printcc) {
144         for (j = graph->cptr[i]; j < graph->cptr[i + 1]; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT " (%" PetscInt_FMT ")", graph->queue[j], queue_in_global_numbering[j]));
145       }
146     } else {
147       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, ")"));
148     }
149     PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
150     PetscCall(PetscViewerASCIISetTab(viewer, tabs));
151     PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
152   }
153   PetscCall(PetscFree(queue_in_global_numbering));
154   PetscCall(PetscViewerFlush(viewer));
155   PetscFunctionReturn(PETSC_SUCCESS);
156 }
157 
158 PetscErrorCode PCBDDCGraphRestoreCandidatesIS(PCBDDCGraph graph, PetscInt *n_faces, IS *FacesIS[], PetscInt *n_edges, IS *EdgesIS[], IS *VerticesIS)
159 {
160   PetscInt       i;
161   PetscContainer gcand;
162 
163   PetscFunctionBegin;
164   PetscCall(PetscObjectQuery((PetscObject)graph->l2gmap, "_PCBDDCGraphCandidatesIS", (PetscObject *)&gcand));
165   if (gcand) {
166     if (n_faces) *n_faces = 0;
167     if (n_edges) *n_edges = 0;
168     if (FacesIS) *FacesIS = NULL;
169     if (EdgesIS) *EdgesIS = NULL;
170     if (VerticesIS) *VerticesIS = NULL;
171   }
172   if (n_faces) {
173     if (FacesIS) {
174       for (i = 0; i < *n_faces; i++) PetscCall(ISDestroy(&((*FacesIS)[i])));
175       PetscCall(PetscFree(*FacesIS));
176     }
177     *n_faces = 0;
178   }
179   if (n_edges) {
180     if (EdgesIS) {
181       for (i = 0; i < *n_edges; i++) PetscCall(ISDestroy(&((*EdgesIS)[i])));
182       PetscCall(PetscFree(*EdgesIS));
183     }
184     *n_edges = 0;
185   }
186   if (VerticesIS) PetscCall(ISDestroy(VerticesIS));
187   PetscFunctionReturn(PETSC_SUCCESS);
188 }
189 
190 PetscErrorCode PCBDDCGraphGetCandidatesIS(PCBDDCGraph graph, PetscInt *n_faces, IS *FacesIS[], PetscInt *n_edges, IS *EdgesIS[], IS *VerticesIS)
191 {
192   IS            *ISForFaces, *ISForEdges, ISForVertices;
193   PetscInt       i, nfc, nec, nvc, *idx, *mark;
194   PetscContainer gcand;
195 
196   PetscFunctionBegin;
197   PetscCall(PetscObjectQuery((PetscObject)graph->l2gmap, "_PCBDDCGraphCandidatesIS", (PetscObject *)&gcand));
198   if (gcand) {
199     PCBDDCGraphCandidates cand;
200 
201     PetscCall(PetscContainerGetPointer(gcand, (void **)&cand));
202     if (n_faces) *n_faces = cand->nfc;
203     if (FacesIS) *FacesIS = cand->Faces;
204     if (n_edges) *n_edges = cand->nec;
205     if (EdgesIS) *EdgesIS = cand->Edges;
206     if (VerticesIS) *VerticesIS = cand->Vertices;
207     PetscFunctionReturn(PETSC_SUCCESS);
208   }
209   PetscCall(PetscCalloc1(graph->ncc, &mark));
210   /* loop on ccs to evaluate number of faces, edges and vertices */
211   nfc = 0;
212   nec = 0;
213   nvc = 0;
214   for (i = 0; i < graph->ncc; i++) {
215     PetscInt repdof = graph->queue[graph->cptr[i]];
216     if (graph->cptr[i + 1] - graph->cptr[i] > graph->custom_minimal_size && graph->nodes[repdof].count <= graph->maxcount) {
217       if (!graph->twodim && graph->nodes[repdof].count == 2 && graph->nodes[repdof].special_dof != PCBDDCGRAPH_NEUMANN_MARK) {
218         nfc++;
219         mark[i] = 2;
220       } else {
221         nec++;
222         mark[i] = 1;
223       }
224     } else {
225       nvc += graph->cptr[i + 1] - graph->cptr[i];
226     }
227   }
228 
229   /* allocate IS arrays for faces, edges. Vertices need a single index set. */
230   if (FacesIS) PetscCall(PetscMalloc1(nfc, &ISForFaces));
231   if (EdgesIS) PetscCall(PetscMalloc1(nec, &ISForEdges));
232   if (VerticesIS) PetscCall(PetscMalloc1(nvc, &idx));
233 
234   /* loop on ccs to compute index sets for faces and edges */
235   if (!graph->queue_sorted) {
236     PetscInt *queue_global;
237 
238     PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &queue_global));
239     PetscCall(ISLocalToGlobalMappingApply(graph->l2gmap, graph->cptr[graph->ncc], graph->queue, queue_global));
240     for (i = 0; i < graph->ncc; i++) PetscCall(PetscSortIntWithArray(graph->cptr[i + 1] - graph->cptr[i], &queue_global[graph->cptr[i]], &graph->queue[graph->cptr[i]]));
241     PetscCall(PetscFree(queue_global));
242     graph->queue_sorted = PETSC_TRUE;
243   }
244   nfc = 0;
245   nec = 0;
246   for (i = 0; i < graph->ncc; i++) {
247     if (mark[i] == 2) {
248       if (FacesIS) PetscCall(ISCreateGeneral(PETSC_COMM_SELF, graph->cptr[i + 1] - graph->cptr[i], &graph->queue[graph->cptr[i]], PETSC_USE_POINTER, &ISForFaces[nfc]));
249       nfc++;
250     } else if (mark[i] == 1) {
251       if (EdgesIS) PetscCall(ISCreateGeneral(PETSC_COMM_SELF, graph->cptr[i + 1] - graph->cptr[i], &graph->queue[graph->cptr[i]], PETSC_USE_POINTER, &ISForEdges[nec]));
252       nec++;
253     }
254   }
255 
256   /* index set for vertices */
257   if (VerticesIS) {
258     nvc = 0;
259     for (i = 0; i < graph->ncc; i++) {
260       if (!mark[i]) {
261         PetscInt j;
262 
263         for (j = graph->cptr[i]; j < graph->cptr[i + 1]; j++) {
264           idx[nvc] = graph->queue[j];
265           nvc++;
266         }
267       }
268     }
269     /* sort vertex set (by local ordering) */
270     PetscCall(PetscSortInt(nvc, idx));
271     PetscCall(ISCreateGeneral(PETSC_COMM_SELF, nvc, idx, PETSC_OWN_POINTER, &ISForVertices));
272   }
273   PetscCall(PetscFree(mark));
274 
275   /* get back info */
276   if (n_faces) *n_faces = nfc;
277   if (FacesIS) *FacesIS = ISForFaces;
278   if (n_edges) *n_edges = nec;
279   if (EdgesIS) *EdgesIS = ISForEdges;
280   if (VerticesIS) *VerticesIS = ISForVertices;
281   PetscFunctionReturn(PETSC_SUCCESS);
282 }
283 
284 PetscErrorCode PCBDDCGraphComputeConnectedComponents(PCBDDCGraph graph)
285 {
286   PetscBool adapt_interface;
287   MPI_Comm  interface_comm;
288   PetscBT   cornerp = NULL;
289 
290   PetscFunctionBegin;
291   PetscCall(PetscObjectGetComm((PetscObject)graph->l2gmap, &interface_comm));
292   /* compute connected components locally */
293   PetscCall(PCBDDCGraphComputeConnectedComponentsLocal(graph));
294   if (graph->seq_graph) PetscFunctionReturn(PETSC_SUCCESS);
295 
296   if (graph->active_coords && !graph->multi_element) { /* face based corner selection XXX multi_element */
297     PetscBT    excluded;
298     PetscReal *wdist;
299     PetscInt   n_neigh, *neigh, *n_shared, **shared;
300     PetscInt   maxc, ns;
301 
302     PetscCall(PetscBTCreate(graph->nvtxs, &cornerp));
303     PetscCall(ISLocalToGlobalMappingGetInfo(graph->l2gmap, &n_neigh, &neigh, &n_shared, &shared));
304     for (ns = 1, maxc = 0; ns < n_neigh; ns++) maxc = PetscMax(maxc, n_shared[ns]);
305     PetscCall(PetscMalloc1(maxc * graph->cdim, &wdist));
306     PetscCall(PetscBTCreate(maxc, &excluded));
307 
308     for (ns = 1; ns < n_neigh; ns++) { /* first proc is self */
309       PetscReal *anchor, mdist;
310       PetscInt   fst, j, k, d, cdim = graph->cdim, n = n_shared[ns];
311       PetscInt   point1, point2, point3, point4;
312 
313       /* import coordinates on shared interface */
314       PetscCall(PetscBTMemzero(n, excluded));
315       for (j = 0, fst = -1, k = 0; j < n; j++) {
316         PetscBool skip = PETSC_FALSE;
317         for (d = 0; d < cdim; d++) {
318           PetscReal c = graph->coords[shared[ns][j] * cdim + d];
319           skip        = (PetscBool)(skip || c == PETSC_MAX_REAL);
320           wdist[k++]  = c;
321         }
322         if (skip) {
323           PetscCall(PetscBTSet(excluded, j));
324         } else if (fst == -1) fst = j;
325       }
326       if (fst == -1) continue;
327 
328       /* the dofs are sorted by global numbering, so each rank starts from the same id
329          and it will detect the same corners from the given set */
330 
331       /* find the farthest point from the starting one */
332       anchor = wdist + fst * cdim;
333       mdist  = -1.0;
334       point1 = fst;
335       for (j = fst; j < n; j++) {
336         PetscReal dist = 0.0;
337 
338         if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
339         for (d = 0; d < cdim; d++) dist += (wdist[j * cdim + d] - anchor[d]) * (wdist[j * cdim + d] - anchor[d]);
340         if (dist > mdist) {
341           mdist  = dist;
342           point1 = j;
343         }
344       }
345 
346       /* find the farthest point from point1 */
347       anchor = wdist + point1 * cdim;
348       mdist  = -1.0;
349       point2 = point1;
350       for (j = fst; j < n; j++) {
351         PetscReal dist = 0.0;
352 
353         if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
354         for (d = 0; d < cdim; d++) dist += (wdist[j * cdim + d] - anchor[d]) * (wdist[j * cdim + d] - anchor[d]);
355         if (dist > mdist) {
356           mdist  = dist;
357           point2 = j;
358         }
359       }
360 
361       /* find the third point maximizing the triangle area */
362       point3 = point2;
363       if (cdim > 2) {
364         PetscReal a = 0.0;
365 
366         for (d = 0; d < cdim; d++) a += (wdist[point1 * cdim + d] - wdist[point2 * cdim + d]) * (wdist[point1 * cdim + d] - wdist[point2 * cdim + d]);
367         a     = PetscSqrtReal(a);
368         mdist = -1.0;
369         for (j = fst; j < n; j++) {
370           PetscReal area, b = 0.0, c = 0.0, s;
371 
372           if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
373           for (d = 0; d < cdim; d++) {
374             b += (wdist[point1 * cdim + d] - wdist[j * cdim + d]) * (wdist[point1 * cdim + d] - wdist[j * cdim + d]);
375             c += (wdist[point2 * cdim + d] - wdist[j * cdim + d]) * (wdist[point2 * cdim + d] - wdist[j * cdim + d]);
376           }
377           b = PetscSqrtReal(b);
378           c = PetscSqrtReal(c);
379           s = 0.5 * (a + b + c);
380 
381           /* Heron's formula, area squared */
382           area = s * (s - a) * (s - b) * (s - c);
383           if (area > mdist) {
384             mdist  = area;
385             point3 = j;
386           }
387         }
388       }
389 
390       /* find the farthest point from point3 different from point1 and point2 */
391       anchor = wdist + point3 * cdim;
392       mdist  = -1.0;
393       point4 = point3;
394       for (j = fst; j < n; j++) {
395         PetscReal dist = 0.0;
396 
397         if (PetscUnlikely(PetscBTLookup(excluded, j)) || j == point1 || j == point2 || j == point3) continue;
398         for (d = 0; d < cdim; d++) dist += (wdist[j * cdim + d] - anchor[d]) * (wdist[j * cdim + d] - anchor[d]);
399         if (dist > mdist) {
400           mdist  = dist;
401           point4 = j;
402         }
403       }
404 
405       PetscCall(PetscBTSet(cornerp, shared[ns][point1]));
406       PetscCall(PetscBTSet(cornerp, shared[ns][point2]));
407       PetscCall(PetscBTSet(cornerp, shared[ns][point3]));
408       PetscCall(PetscBTSet(cornerp, shared[ns][point4]));
409 
410       /* all dofs having the same coordinates will be primal */
411       for (j = fst; j < n; j++) {
412         PetscBool same[] = {PETSC_TRUE, PETSC_TRUE, PETSC_TRUE, PETSC_TRUE};
413 
414         if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
415         for (d = 0; d < cdim; d++) {
416           same[0] = (PetscBool)(same[0] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point1 * cdim + d]) < PETSC_SMALL));
417           same[1] = (PetscBool)(same[1] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point2 * cdim + d]) < PETSC_SMALL));
418           same[2] = (PetscBool)(same[2] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point3 * cdim + d]) < PETSC_SMALL));
419           same[3] = (PetscBool)(same[3] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point4 * cdim + d]) < PETSC_SMALL));
420         }
421         if (same[0] || same[1] || same[2] || same[3]) PetscCall(PetscBTSet(cornerp, shared[ns][j]));
422       }
423     }
424     PetscCall(PetscBTDestroy(&excluded));
425     PetscCall(PetscFree(wdist));
426     PetscCall(ISLocalToGlobalMappingRestoreInfo(graph->l2gmap, &n_neigh, &neigh, &n_shared, &shared));
427   }
428 
429   /* Adapt connected components if needed */
430   adapt_interface = (cornerp || graph->multi_element) ? PETSC_TRUE : PETSC_FALSE;
431   for (PetscInt i = 0; i < graph->n_subsets && !adapt_interface; i++) {
432     if (graph->subset_ncc[i] > 1) adapt_interface = PETSC_TRUE;
433   }
434   PetscCallMPI(MPIU_Allreduce(MPI_IN_PLACE, &adapt_interface, 1, MPIU_BOOL, MPI_LOR, interface_comm));
435   if (adapt_interface) {
436     PetscSF         msf;
437     const PetscInt *n_ref_sharing;
438     PetscInt       *labels, *rootlabels, *mrlabels;
439     PetscInt        nr, nmr, nrs, ncc, cum_queue;
440 
441     PetscCall(PetscMalloc1(graph->nvtxs, &labels));
442     PetscCall(PetscArrayzero(labels, graph->nvtxs));
443     for (PetscInt i = 0, k = 0; i < graph->ncc; i++) {
444       PetscInt s = 1;
445       for (PetscInt j = graph->cptr[i]; j < graph->cptr[i + 1]; j++) {
446         if (cornerp && PetscBTLookup(cornerp, graph->queue[j])) {
447           labels[graph->queue[j]] = -(k + s + 1);
448           s += 1;
449         } else {
450           labels[graph->queue[j]] = -(k + 1);
451         }
452       }
453       k += s;
454     }
455     PetscCall(PetscSFGetGraph(graph->interface_ref_sf, &nr, NULL, NULL, NULL));
456     PetscCall(PetscSFGetGraph(graph->interface_subset_sf, &nrs, NULL, NULL, NULL));
457     PetscCall(PetscSFGetMultiSF(graph->interface_subset_sf, &msf));
458     PetscCall(PetscSFGetGraph(msf, &nmr, NULL, NULL, NULL));
459     PetscCall(PetscCalloc2(nmr, &mrlabels, nrs, &rootlabels));
460 
461     PetscCall(PetscSFComputeDegreeBegin(graph->interface_subset_sf, &n_ref_sharing));
462     PetscCall(PetscSFComputeDegreeEnd(graph->interface_subset_sf, &n_ref_sharing));
463     PetscCall(PetscSFGatherBegin(graph->interface_subset_sf, MPIU_INT, labels, mrlabels));
464     PetscCall(PetscSFGatherEnd(graph->interface_subset_sf, MPIU_INT, labels, mrlabels));
465 
466     /* analyze contributions from processes
467        The structure of mrlabels is suitable to find intersections of ccs.
468        supposing the root subset has dimension 5 and leaves with labels:
469          0: [4 4 7 4 7], (2 connected components)
470          1: [3 2 2 3 2], (2 connected components)
471          2: [1 1 6 5 6], (3 connected components)
472        the multiroot data and the new labels corresponding to intersected connected components will be (column major)
473 
474                   4 4 7 4 7
475        mrlabels   3 2 2 3 2
476                   1 1 6 5 6
477                   ---------
478        rootlabels 0 1 2 3 2
479     */
480     for (PetscInt i = 0, rcumlabels = 0, mcumlabels = 0; i < nr; i++) {
481       const PetscInt  subset_size    = graph->interface_ref_rsize[i];
482       const PetscInt *n_sharing      = n_ref_sharing + rcumlabels;
483       const PetscInt *mrbuffer       = mrlabels + mcumlabels;
484       PetscInt       *rbuffer        = rootlabels + rcumlabels;
485       PetscInt        subset_counter = 0;
486 
487       for (PetscInt j = 0; j < subset_size; j++) {
488         if (!rbuffer[j]) { /* found a new cc  */
489           const PetscInt *jlabels = mrbuffer + j * n_sharing[0];
490           rbuffer[j]              = ++subset_counter;
491 
492           for (PetscInt k = j + 1; k < subset_size; k++) { /* check for other nodes in new cc */
493             PetscBool       same_set = PETSC_TRUE;
494             const PetscInt *klabels  = mrbuffer + k * n_sharing[0];
495 
496             for (PetscInt s = 0; s < n_sharing[0]; s++) {
497               if (jlabels[s] != klabels[s]) {
498                 same_set = PETSC_FALSE;
499                 break;
500               }
501             }
502             if (same_set) rbuffer[k] = subset_counter;
503           }
504         }
505       }
506       if (subset_size) {
507         rcumlabels += subset_size;
508         mcumlabels += n_sharing[0] * subset_size;
509       }
510     }
511 
512     /* Now communicate the intersected labels */
513     PetscCall(PetscSFBcastBegin(graph->interface_subset_sf, MPIU_INT, rootlabels, labels, MPI_REPLACE));
514     PetscCall(PetscSFBcastEnd(graph->interface_subset_sf, MPIU_INT, rootlabels, labels, MPI_REPLACE));
515     PetscCall(PetscFree2(mrlabels, rootlabels));
516 
517     /* and adapt local connected components */
518     PetscInt  *ocptr, *oqueue;
519     PetscBool *touched;
520 
521     PetscCall(PetscMalloc3(graph->ncc + 1, &ocptr, graph->cptr[graph->ncc], &oqueue, graph->cptr[graph->ncc], &touched));
522     PetscCall(PetscArraycpy(ocptr, graph->cptr, graph->ncc + 1));
523     PetscCall(PetscArraycpy(oqueue, graph->queue, graph->cptr[graph->ncc]));
524     PetscCall(PetscArrayzero(touched, graph->cptr[graph->ncc]));
525 
526     ncc       = 0;
527     cum_queue = 0;
528     for (PetscInt i = 0; i < graph->ncc; i++) {
529       for (PetscInt j = ocptr[i]; j < ocptr[i + 1]; j++) {
530         const PetscInt jlabel = labels[oqueue[j]];
531 
532         if (jlabel) {
533           graph->cptr[ncc] = cum_queue;
534           ncc++;
535           for (PetscInt k = j; k < ocptr[i + 1]; k++) { /* check for other nodes in new cc */
536             if (labels[oqueue[k]] == jlabel) {
537               graph->queue[cum_queue++] = oqueue[k];
538               labels[oqueue[k]]         = 0;
539             }
540           }
541         }
542       }
543     }
544     PetscCall(PetscFree3(ocptr, oqueue, touched));
545     PetscCall(PetscFree(labels));
546     graph->cptr[ncc]    = cum_queue;
547     graph->queue_sorted = PETSC_FALSE;
548     graph->ncc          = ncc;
549   }
550   PetscCall(PetscBTDestroy(&cornerp));
551 
552   /* Determine if we are in 2D or 3D */
553   if (!graph->twodimset) {
554     PetscBool twodim = PETSC_TRUE;
555     for (PetscInt i = 0; i < graph->ncc; i++) {
556       PetscInt repdof = graph->queue[graph->cptr[i]];
557       PetscInt ccsize = graph->cptr[i + 1] - graph->cptr[i];
558       if (graph->nodes[repdof].count > 2 && ccsize > graph->custom_minimal_size) {
559         twodim = PETSC_FALSE;
560         break;
561       }
562     }
563     PetscCall(MPIU_Allreduce(&twodim, &graph->twodim, 1, MPIU_BOOL, MPI_LAND, PetscObjectComm((PetscObject)graph->l2gmap)));
564     graph->twodimset = PETSC_TRUE;
565   }
566   PetscFunctionReturn(PETSC_SUCCESS);
567 }
568 
569 static inline PetscErrorCode PCBDDCGraphComputeCC_Private(PCBDDCGraph graph, PetscInt pid, PetscInt *PETSC_RESTRICT queue_tip, PetscInt n_prev, PetscInt *n_added)
570 {
571   PetscInt i, j, n = 0;
572 
573   const PetscInt *PETSC_RESTRICT xadj        = graph->xadj;
574   const PetscInt *PETSC_RESTRICT adjncy      = graph->adjncy;
575   const PetscInt *PETSC_RESTRICT subset_idxs = graph->subset_idxs[pid - 1];
576   const PetscInt *PETSC_RESTRICT local_subs  = graph->local_subs;
577   const PetscInt                 subset_size = graph->subset_size[pid - 1];
578 
579   PCBDDCGraphNode *PETSC_RESTRICT nodes = graph->nodes;
580 
581   const PetscBool havecsr  = (PetscBool)(!!xadj);
582   const PetscBool havesubs = (PetscBool)(!!graph->n_local_subs);
583 
584   PetscFunctionBegin;
585   if (havecsr && !havesubs) {
586     for (i = -n_prev; i < 0; i++) {
587       const PetscInt start_dof = queue_tip[i];
588 
589       /* we assume that if a dof has a size 1 adjacency list and the corresponding entry is negative, it is connected to all dofs */
590       if (xadj[start_dof + 1] - xadj[start_dof] == 1 && adjncy[xadj[start_dof]] < 0) {
591         for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
592           const PetscInt dof = subset_idxs[j];
593 
594           if (!nodes[dof].touched && nodes[dof].subset == pid) {
595             nodes[dof].touched = PETSC_TRUE;
596             queue_tip[n]       = dof;
597             n++;
598           }
599         }
600       } else {
601         for (j = xadj[start_dof]; j < xadj[start_dof + 1]; j++) {
602           const PetscInt dof = adjncy[j];
603 
604           if (!nodes[dof].touched && nodes[dof].subset == pid) {
605             nodes[dof].touched = PETSC_TRUE;
606             queue_tip[n]       = dof;
607             n++;
608           }
609         }
610       }
611     }
612   } else if (havecsr && havesubs) {
613     const PetscInt sid = local_subs[queue_tip[-n_prev]];
614 
615     for (i = -n_prev; i < 0; i++) {
616       const PetscInt start_dof = queue_tip[i];
617 
618       /* we assume that if a dof has a size 1 adjacency list and the corresponding entry is negative, it is connected to all dofs belonging to the local sub */
619       if (xadj[start_dof + 1] - xadj[start_dof] == 1 && adjncy[xadj[start_dof]] < 0) {
620         for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
621           const PetscInt dof = subset_idxs[j];
622 
623           if (!nodes[dof].touched && nodes[dof].subset == pid && local_subs[dof] == sid) {
624             nodes[dof].touched = PETSC_TRUE;
625             queue_tip[n]       = dof;
626             n++;
627           }
628         }
629       } else {
630         for (j = xadj[start_dof]; j < xadj[start_dof + 1]; j++) {
631           const PetscInt dof = adjncy[j];
632 
633           if (!nodes[dof].touched && nodes[dof].subset == pid && local_subs[dof] == sid) {
634             nodes[dof].touched = PETSC_TRUE;
635             queue_tip[n]       = dof;
636             n++;
637           }
638         }
639       }
640     }
641   } else if (havesubs) { /* sub info only */
642     const PetscInt sid = local_subs[queue_tip[-n_prev]];
643 
644     for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
645       const PetscInt dof = subset_idxs[j];
646 
647       if (!nodes[dof].touched && nodes[dof].subset == pid && local_subs[dof] == sid) {
648         nodes[dof].touched = PETSC_TRUE;
649         queue_tip[n]       = dof;
650         n++;
651       }
652     }
653   } else {
654     for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
655       const PetscInt dof = subset_idxs[j];
656 
657       if (!nodes[dof].touched && nodes[dof].subset == pid) {
658         nodes[dof].touched = PETSC_TRUE;
659         queue_tip[n]       = dof;
660         n++;
661       }
662     }
663   }
664   *n_added = n;
665   PetscFunctionReturn(PETSC_SUCCESS);
666 }
667 
668 PetscErrorCode PCBDDCGraphComputeConnectedComponentsLocal(PCBDDCGraph graph)
669 {
670   PetscInt ncc, cum_queue;
671 
672   PetscFunctionBegin;
673   PetscCheck(graph->setupcalled, PetscObjectComm((PetscObject)graph->l2gmap), PETSC_ERR_ORDER, "PCBDDCGraphSetUp should be called first");
674   /* quiet return if there isn't any local info */
675   if (!graph->xadj && !graph->n_local_subs) PetscFunctionReturn(PETSC_SUCCESS);
676 
677   /* reset any previous search of connected components */
678   for (PetscInt i = 0; i < graph->nvtxs; i++) graph->nodes[i].touched = PETSC_FALSE;
679   if (!graph->seq_graph) {
680     for (PetscInt i = 0; i < graph->nvtxs; i++) {
681       if (graph->nodes[i].special_dof == PCBDDCGRAPH_DIRICHLET_MARK || graph->nodes[i].count < 2) graph->nodes[i].touched = PETSC_TRUE;
682     }
683   }
684 
685   /* begin search for connected components */
686   cum_queue = 0;
687   ncc       = 0;
688   for (PetscInt n = 0; n < graph->n_subsets; n++) {
689     const PetscInt *subset_idxs = graph->subset_idxs[n];
690     const PetscInt  pid         = n + 1; /* partition labeled by 0 is discarded */
691 
692     PetscInt found = 0, prev = 0, first = 0, ncc_pid = 0;
693 
694     while (found != graph->subset_size[n]) {
695       PetscInt added = 0;
696 
697       if (!prev) { /* search for new starting dof */
698         while (graph->nodes[subset_idxs[first]].touched) first++;
699         graph->nodes[subset_idxs[first]].touched = PETSC_TRUE;
700         graph->queue[cum_queue]                  = subset_idxs[first];
701         graph->cptr[ncc]                         = cum_queue;
702         prev                                     = 1;
703         cum_queue++;
704         found++;
705         ncc_pid++;
706         ncc++;
707       }
708       PetscCall(PCBDDCGraphComputeCC_Private(graph, pid, graph->queue + cum_queue, prev, &added));
709       if (!added) {
710         graph->subset_ncc[n] = ncc_pid;
711         graph->cptr[ncc]     = cum_queue;
712       }
713       prev = added;
714       found += added;
715       cum_queue += added;
716       if (added && found == graph->subset_size[n]) {
717         graph->subset_ncc[n] = ncc_pid;
718         graph->cptr[ncc]     = cum_queue;
719       }
720     }
721   }
722   graph->ncc          = ncc;
723   graph->queue_sorted = PETSC_FALSE;
724   PetscFunctionReturn(PETSC_SUCCESS);
725 }
726 
727 PetscErrorCode PCBDDCGraphSetUp(PCBDDCGraph graph, PetscInt custom_minimal_size, IS neumann_is, IS dirichlet_is, PetscInt n_ISForDofs, IS ISForDofs[], IS custom_primal_vertices)
728 {
729   IS              subset;
730   MPI_Comm        comm;
731   const PetscInt *is_indices;
732   PetscInt       *queue_global, *nodecount, **nodeneighs;
733   PetscInt        i, j, k, total_counts, nodes_touched, is_size, nvtxs = graph->nvtxs;
734   PetscMPIInt     size, rank;
735   PetscBool       same_set;
736 
737   PetscFunctionBegin;
738   PetscValidLogicalCollectiveInt(graph->l2gmap, custom_minimal_size, 2);
739   if (neumann_is) {
740     PetscValidHeaderSpecific(neumann_is, IS_CLASSID, 3);
741     PetscCheckSameComm(graph->l2gmap, 1, neumann_is, 3);
742   }
743   graph->has_dirichlet = PETSC_FALSE;
744   if (dirichlet_is) {
745     PetscValidHeaderSpecific(dirichlet_is, IS_CLASSID, 4);
746     PetscCheckSameComm(graph->l2gmap, 1, dirichlet_is, 4);
747     graph->has_dirichlet = PETSC_TRUE;
748   }
749   PetscValidLogicalCollectiveInt(graph->l2gmap, n_ISForDofs, 5);
750   for (i = 0; i < n_ISForDofs; i++) {
751     PetscValidHeaderSpecific(ISForDofs[i], IS_CLASSID, 6);
752     PetscCheckSameComm(graph->l2gmap, 1, ISForDofs[i], 6);
753   }
754   if (custom_primal_vertices) {
755     PetscValidHeaderSpecific(custom_primal_vertices, IS_CLASSID, 7);
756     PetscCheckSameComm(graph->l2gmap, 1, custom_primal_vertices, 7);
757   }
758   for (i = 0; i < nvtxs; i++) graph->nodes[i].touched = PETSC_FALSE;
759 
760   PetscCall(PetscObjectGetComm((PetscObject)graph->l2gmap, &comm));
761   PetscCallMPI(MPI_Comm_size(comm, &size));
762   PetscCallMPI(MPI_Comm_rank(comm, &rank));
763 
764   /* custom_minimal_size */
765   graph->custom_minimal_size = custom_minimal_size;
766 
767   /* get node info from l2gmap */
768   PetscCall(ISLocalToGlobalMappingGetNodeInfo(graph->l2gmap, NULL, &nodecount, &nodeneighs));
769 
770   /* Allocate space for storing the set of neighbours for each node */
771   graph->multi_element = PETSC_FALSE;
772   for (i = 0; i < nvtxs; i++) {
773     graph->nodes[i].count = nodecount[i];
774     if (!graph->seq_graph) {
775       PetscCall(PetscMalloc1(nodecount[i], &graph->nodes[i].neighbours_set));
776       PetscCall(PetscArraycpy(graph->nodes[i].neighbours_set, nodeneighs[i], nodecount[i]));
777 
778       if (!graph->multi_element) {
779         PetscInt nself;
780         for (j = 0, nself = 0; j < graph->nodes[i].count; j++)
781           if (graph->nodes[i].neighbours_set[j] == rank) nself++;
782         if (nself > 1) graph->multi_element = PETSC_TRUE;
783       }
784     } else {
785       PetscCall(PetscCalloc1(nodecount[i], &graph->nodes[i].neighbours_set));
786     }
787   }
788   PetscCall(ISLocalToGlobalMappingRestoreNodeInfo(graph->l2gmap, NULL, &nodecount, &nodeneighs));
789   PetscCallMPI(MPIU_Allreduce(MPI_IN_PLACE, &graph->multi_element, 1, MPIU_BOOL, MPI_LOR, comm));
790 
791   /* compute local groups */
792   if (graph->multi_element) {
793     const PetscInt *idxs, *indegree;
794     IS              is, lis;
795     PetscLayout     layout;
796     PetscSF         sf, multisf;
797     PetscInt        n, nmulti, c, *multi_root_subs, *start;
798 
799     PetscCheck(!nvtxs || graph->local_subs, PETSC_COMM_SELF, PETSC_ERR_PLIB, "Missing local subdomain information");
800 
801     PetscCall(ISLocalToGlobalMappingGetIndices(graph->l2gmap, &idxs));
802     PetscCall(ISCreateGeneral(PETSC_COMM_SELF, nvtxs, idxs, PETSC_USE_POINTER, &is));
803     PetscCall(ISRenumber(is, NULL, &n, &lis));
804     PetscCall(ISDestroy(&is));
805 
806     PetscCall(ISLocalToGlobalMappingRestoreIndices(graph->l2gmap, &idxs));
807     PetscCall(ISGetIndices(lis, &idxs));
808     PetscCall(PetscLayoutCreate(PETSC_COMM_SELF, &layout));
809     PetscCall(PetscLayoutSetSize(layout, n));
810     PetscCall(PetscSFCreate(PETSC_COMM_SELF, &sf));
811     PetscCall(PetscSFSetGraphLayout(sf, layout, nvtxs, NULL, PETSC_OWN_POINTER, idxs));
812     PetscCall(PetscLayoutDestroy(&layout));
813     PetscCall(PetscSFGetMultiSF(sf, &multisf));
814     PetscCall(PetscSFComputeDegreeBegin(sf, &indegree));
815     PetscCall(PetscSFComputeDegreeEnd(sf, &indegree));
816     PetscCall(PetscSFGetGraph(multisf, &nmulti, NULL, NULL, NULL));
817     PetscCall(PetscMalloc2(nmulti, &multi_root_subs, n + 1, &start));
818     start[0] = 0;
819     for (i = 0; i < n; i++) start[i + 1] = start[i] + indegree[i];
820     PetscCall(PetscSFGatherBegin(sf, MPIU_INT, graph->local_subs, multi_root_subs));
821     PetscCall(PetscSFGatherEnd(sf, MPIU_INT, graph->local_subs, multi_root_subs));
822     for (i = 0; i < nvtxs; i++) {
823       PetscInt gid = idxs[i];
824 
825       graph->nodes[i].local_sub = graph->local_subs[i];
826       for (j = 0, c = 0; j < graph->nodes[i].count; j++) {
827         if (graph->nodes[i].neighbours_set[j] == rank) c++;
828       }
829       PetscCheck(c == indegree[idxs[i]], PETSC_COMM_SELF, PETSC_ERR_PLIB, "%" PetscInt_FMT " != %" PetscInt_FMT, c, indegree[idxs[i]]);
830       PetscCall(PetscMalloc1(c, &graph->nodes[i].local_groups));
831       for (j = 0; j < c; j++) graph->nodes[i].local_groups[j] = multi_root_subs[start[gid] + j];
832       PetscCall(PetscSortInt(c, graph->nodes[i].local_groups));
833       graph->nodes[i].local_groups_count = c;
834     }
835     PetscCall(PetscFree2(multi_root_subs, start));
836     PetscCall(ISRestoreIndices(lis, &idxs));
837     PetscCall(ISDestroy(&lis));
838     PetscCall(PetscSFDestroy(&sf));
839   }
840 
841   /*
842      Get info for dofs splitting
843      User can specify just a subset; an additional field is considered as a complementary field
844   */
845   for (i = 0, k = 0; i < n_ISForDofs; i++) {
846     PetscInt bs;
847 
848     PetscCall(ISGetBlockSize(ISForDofs[i], &bs));
849     k += bs;
850   }
851   for (i = 0; i < nvtxs; i++) graph->nodes[i].which_dof = k; /* by default a dof belongs to the complement set */
852   for (i = 0, k = 0; i < n_ISForDofs; i++) {
853     PetscInt bs;
854 
855     PetscCall(ISGetLocalSize(ISForDofs[i], &is_size));
856     PetscCall(ISGetBlockSize(ISForDofs[i], &bs));
857     PetscCall(ISGetIndices(ISForDofs[i], (const PetscInt **)&is_indices));
858     for (j = 0; j < is_size / bs; j++) {
859       PetscInt b;
860 
861       for (b = 0; b < bs; b++) {
862         PetscInt jj = bs * j + b;
863 
864         if (is_indices[jj] > -1 && is_indices[jj] < nvtxs) { /* out of bounds indices (if any) are skipped */
865           graph->nodes[is_indices[jj]].which_dof = k + b;
866         }
867       }
868     }
869     PetscCall(ISRestoreIndices(ISForDofs[i], (const PetscInt **)&is_indices));
870     k += bs;
871   }
872 
873   /* Take into account Neumann nodes */
874   if (neumann_is) {
875     PetscCall(ISGetLocalSize(neumann_is, &is_size));
876     PetscCall(ISGetIndices(neumann_is, (const PetscInt **)&is_indices));
877     for (i = 0; i < is_size; i++) {
878       if (is_indices[i] > -1 && is_indices[i] < nvtxs) { /* out of bounds indices (if any) are skipped */
879         graph->nodes[is_indices[i]].special_dof = PCBDDCGRAPH_NEUMANN_MARK;
880       }
881     }
882     PetscCall(ISRestoreIndices(neumann_is, (const PetscInt **)&is_indices));
883   }
884 
885   /* Take into account Dirichlet nodes (they overwrite any mark previously set) */
886   if (dirichlet_is) {
887     PetscCall(ISGetLocalSize(dirichlet_is, &is_size));
888     PetscCall(ISGetIndices(dirichlet_is, (const PetscInt **)&is_indices));
889     for (i = 0; i < is_size; i++) {
890       if (is_indices[i] > -1 && is_indices[i] < nvtxs) { /* out of bounds indices (if any) are skipped */
891         if (!graph->seq_graph) {                         /* dirichlet nodes treated as internal */
892           graph->nodes[is_indices[i]].touched = PETSC_TRUE;
893           graph->nodes[is_indices[i]].subset  = 0;
894         }
895         graph->nodes[is_indices[i]].special_dof = PCBDDCGRAPH_DIRICHLET_MARK;
896       }
897     }
898     PetscCall(ISRestoreIndices(dirichlet_is, (const PetscInt **)&is_indices));
899   }
900 
901   /* mark special nodes (if any) -> each will become a single dof equivalence class (i.e. point constraint for BDDC) */
902   if (custom_primal_vertices) {
903     PetscCall(ISGetLocalSize(custom_primal_vertices, &is_size));
904     PetscCall(ISGetIndices(custom_primal_vertices, (const PetscInt **)&is_indices));
905     for (i = 0, j = 0; i < is_size; i++) {
906       if (is_indices[i] > -1 && is_indices[i] < nvtxs && graph->nodes[is_indices[i]].special_dof != PCBDDCGRAPH_DIRICHLET_MARK) { /* out of bounds indices (if any) are skipped */
907         graph->nodes[is_indices[i]].special_dof = PCBDDCGRAPH_SPECIAL_MARK - j;
908         j++;
909       }
910     }
911     PetscCall(ISRestoreIndices(custom_primal_vertices, (const PetscInt **)&is_indices));
912   }
913 
914   /* mark interior nodes as touched and belonging to partition number 0 */
915   if (!graph->seq_graph) {
916     for (i = 0; i < nvtxs; i++) {
917       if (graph->nodes[i].count < 2) {
918         graph->nodes[i].touched = PETSC_TRUE;
919         graph->nodes[i].subset  = 0;
920       }
921     }
922   }
923 
924   /* init graph structure and compute default subsets */
925   nodes_touched = 0;
926   for (i = 0; i < nvtxs; i++)
927     if (graph->nodes[i].touched) nodes_touched++;
928 
929   i            = 0;
930   graph->ncc   = 0;
931   total_counts = 0;
932 
933   /* allocated space for queues */
934   if (graph->seq_graph) {
935     PetscCall(PetscMalloc2(nvtxs + 1, &graph->cptr, nvtxs, &graph->queue));
936   } else {
937     PetscInt nused = nvtxs - nodes_touched;
938     PetscCall(PetscMalloc2(nused + 1, &graph->cptr, nused, &graph->queue));
939   }
940 
941   while (nodes_touched < nvtxs) {
942     /*  find first untouched node in local ordering */
943     while (graph->nodes[i].touched) i++;
944     graph->nodes[i].touched    = PETSC_TRUE;
945     graph->nodes[i].subset     = graph->ncc + 1;
946     graph->cptr[graph->ncc]    = total_counts;
947     graph->queue[total_counts] = i;
948     total_counts++;
949     nodes_touched++;
950 
951     /* now find all other nodes having the same set of sharing subdomains */
952     const PCBDDCGraphNode         *nodei               = &graph->nodes[i];
953     const PetscInt                 icount              = nodei->count;
954     const PetscInt                 iwhich_dof          = nodei->which_dof;
955     const PetscInt                 ispecial_dof        = nodei->special_dof;
956     const PetscInt                 ilocal_groups_count = nodei->local_groups_count;
957     const PetscInt *PETSC_RESTRICT ineighbours_set     = nodei->neighbours_set;
958     const PetscInt *PETSC_RESTRICT ilocal_groups       = nodei->local_groups;
959     for (j = i + 1; j < nvtxs; j++) {
960       PCBDDCGraphNode *PETSC_RESTRICT nodej = &graph->nodes[j];
961 
962       if (nodej->touched) continue;
963       /* check for same number of sharing subdomains, dof number and same special mark */
964       if (icount == nodej->count && iwhich_dof == nodej->which_dof && ispecial_dof == nodej->special_dof) {
965         PetscBool mpi_shared = PETSC_TRUE;
966 
967         /* check for same set of sharing subdomains */
968         same_set = PETSC_TRUE;
969         for (k = 0; k < icount; k++) {
970           if (ineighbours_set[k] != nodej->neighbours_set[k]) {
971             same_set = PETSC_FALSE;
972             break;
973           }
974         }
975 
976         if (graph->multi_element) {
977           mpi_shared = PETSC_FALSE;
978           for (k = 0; k < icount; k++)
979             if (ineighbours_set[k] != rank) {
980               mpi_shared = PETSC_TRUE;
981               break;
982             }
983         }
984 
985         /* check for same local groups
986            shared dofs at the process boundaries will be handled differently */
987         if (same_set && !mpi_shared) {
988           if (ilocal_groups_count != nodej->local_groups_count) same_set = PETSC_FALSE;
989           else {
990             for (k = 0; k < ilocal_groups_count; k++) {
991               if (ilocal_groups[k] != nodej->local_groups[k]) {
992                 same_set = PETSC_FALSE;
993                 break;
994               }
995             }
996           }
997         }
998 
999         /* Add to subset */
1000         if (same_set) {
1001           nodej->touched = PETSC_TRUE;
1002           nodej->subset  = graph->ncc + 1;
1003           nodes_touched++;
1004           graph->queue[total_counts] = j;
1005           total_counts++;
1006         }
1007       }
1008     }
1009     graph->ncc++;
1010   }
1011   graph->cptr[graph->ncc] = total_counts;
1012 
1013   /* set default number of subsets */
1014   graph->n_subsets = graph->ncc;
1015   PetscCall(PetscMalloc1(graph->n_subsets, &graph->subset_ncc));
1016   for (i = 0; i < graph->n_subsets; i++) graph->subset_ncc[i] = 1;
1017 
1018   PetscCall(PetscMalloc1(graph->ncc, &graph->subset_ref_node));
1019   PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &queue_global));
1020   PetscCall(PetscMalloc2(graph->ncc, &graph->subset_size, graph->ncc, &graph->subset_idxs));
1021   if (graph->multi_element) PetscCall(PetscMalloc1(graph->ncc, &graph->gsubset_size));
1022   else graph->gsubset_size = graph->subset_size;
1023   PetscCall(ISLocalToGlobalMappingApply(graph->l2gmap, graph->cptr[graph->ncc], graph->queue, queue_global));
1024 
1025   PetscHMapI cnt_unique;
1026 
1027   PetscCall(PetscHMapICreate(&cnt_unique));
1028   for (j = 0; j < graph->ncc; j++) {
1029     PetscInt c = 0, ref_node = PETSC_MAX_INT;
1030 
1031     for (k = graph->cptr[j]; k < graph->cptr[j + 1]; k++) {
1032       ref_node = PetscMin(ref_node, queue_global[k]);
1033       if (graph->multi_element) {
1034         PetscBool     missing;
1035         PetscHashIter iter;
1036 
1037         PetscCall(PetscHMapIPut(cnt_unique, queue_global[k], &iter, &missing));
1038         if (missing) c++;
1039       }
1040     }
1041     graph->gsubset_size[j]    = c;
1042     graph->subset_size[j]     = graph->cptr[j + 1] - graph->cptr[j];
1043     graph->subset_ref_node[j] = ref_node;
1044     if (graph->multi_element) PetscCall(PetscHMapIClear(cnt_unique));
1045   }
1046   PetscCall(PetscHMapIDestroy(&cnt_unique));
1047 
1048   /* save information on subsets (needed when analyzing the connected components) */
1049   if (graph->ncc) {
1050     PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &graph->subset_idxs[0]));
1051     PetscCall(PetscArrayzero(graph->subset_idxs[0], graph->cptr[graph->ncc]));
1052     for (j = 1; j < graph->ncc; j++) { graph->subset_idxs[j] = graph->subset_idxs[j - 1] + graph->subset_size[j - 1]; }
1053     PetscCall(PetscArraycpy(graph->subset_idxs[0], graph->queue, graph->cptr[graph->ncc]));
1054   }
1055 
1056   /* check consistency and create SF to analyze components on the interface between subdomains */
1057   if (!graph->seq_graph) {
1058     PetscSF         msf;
1059     PetscLayout     map;
1060     const PetscInt *degree;
1061     PetscInt        nr, nmr, *rdata;
1062     PetscBool       valid = PETSC_TRUE;
1063     PetscInt        subset_N;
1064     IS              subset_n;
1065     const PetscInt *idxs;
1066 
1067     PetscCall(ISCreateGeneral(comm, graph->n_subsets, graph->subset_ref_node, PETSC_USE_POINTER, &subset));
1068     PetscCall(ISRenumber(subset, NULL, &subset_N, &subset_n));
1069     PetscCall(ISDestroy(&subset));
1070 
1071     PetscCall(PetscSFCreate(comm, &graph->interface_ref_sf));
1072     PetscCall(PetscLayoutCreateFromSizes(comm, PETSC_DECIDE, subset_N, 1, &map));
1073     PetscCall(ISGetIndices(subset_n, &idxs));
1074     PetscCall(PetscSFSetGraphLayout(graph->interface_ref_sf, map, graph->n_subsets, NULL, PETSC_OWN_POINTER, idxs));
1075     PetscCall(ISRestoreIndices(subset_n, &idxs));
1076     PetscCall(ISDestroy(&subset_n));
1077     PetscCall(PetscLayoutDestroy(&map));
1078 
1079     PetscCall(PetscSFComputeDegreeBegin(graph->interface_ref_sf, &degree));
1080     PetscCall(PetscSFComputeDegreeEnd(graph->interface_ref_sf, &degree));
1081     PetscCall(PetscSFGetMultiSF(graph->interface_ref_sf, &msf));
1082     PetscCall(PetscSFGetGraph(graph->interface_ref_sf, &nr, NULL, NULL, NULL));
1083     PetscCall(PetscSFGetGraph(msf, &nmr, NULL, NULL, NULL));
1084     PetscCall(PetscCalloc1(nmr, &rdata));
1085     PetscCall(PetscSFGatherBegin(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, rdata));
1086     PetscCall(PetscSFGatherEnd(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, rdata));
1087     for (PetscInt i = 0, c = 0; i < nr && valid; i++) {
1088       for (PetscInt j = 0; j < degree[i]; j++) {
1089         if (rdata[j + c] != rdata[c]) valid = PETSC_FALSE;
1090       }
1091       c += degree[i];
1092     }
1093     PetscCall(PetscFree(rdata));
1094     PetscCall(MPIU_Allreduce(MPI_IN_PLACE, &valid, 1, MPIU_BOOL, MPI_LAND, comm));
1095     PetscCheck(valid, comm, PETSC_ERR_PLIB, "Initial local subsets are not consistent");
1096 
1097     /* Now create SF with each root extended to gsubset_size roots */
1098     PetscInt           mss = 0;
1099     const PetscSFNode *subs_remote;
1100 
1101     PetscCall(PetscSFGetGraph(graph->interface_ref_sf, NULL, NULL, NULL, &subs_remote));
1102     for (PetscInt i = 0; i < graph->n_subsets; i++) mss = PetscMax(graph->subset_size[i], mss);
1103 
1104     PetscInt nri, nli, *start_rsize, *cum_rsize;
1105     PetscCall(PetscCalloc1(graph->n_subsets + 1, &start_rsize));
1106     PetscCall(PetscCalloc1(nr, &graph->interface_ref_rsize));
1107     PetscCall(PetscMalloc1(nr + 1, &cum_rsize));
1108     PetscCall(PetscSFReduceBegin(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, graph->interface_ref_rsize, MPI_REPLACE));
1109     PetscCall(PetscSFReduceEnd(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, graph->interface_ref_rsize, MPI_REPLACE));
1110 
1111     nri          = 0;
1112     cum_rsize[0] = 0;
1113     for (PetscInt i = 0; i < nr; i++) {
1114       nri += graph->interface_ref_rsize[i];
1115       cum_rsize[i + 1] = cum_rsize[i] + graph->interface_ref_rsize[i];
1116     }
1117     nli = graph->cptr[graph->ncc];
1118     PetscCall(PetscSFBcastBegin(graph->interface_ref_sf, MPIU_INT, cum_rsize, start_rsize, MPI_REPLACE));
1119     PetscCall(PetscSFBcastEnd(graph->interface_ref_sf, MPIU_INT, cum_rsize, start_rsize, MPI_REPLACE));
1120     PetscCall(PetscFree(cum_rsize));
1121 
1122     PetscInt    *ilocal, *queue_global_uniq;
1123     PetscSFNode *iremote;
1124     PetscBool   *touched;
1125 
1126     PetscCall(PetscSFCreate(comm, &graph->interface_subset_sf));
1127     PetscCall(PetscMalloc1(nli, &ilocal));
1128     PetscCall(PetscMalloc1(nli, &iremote));
1129     PetscCall(PetscMalloc2(mss, &queue_global_uniq, mss, &touched));
1130     for (PetscInt i = 0, nli = 0; i < graph->n_subsets; i++) {
1131       const PetscMPIInt rr                = subs_remote[i].rank;
1132       const PetscInt    start             = start_rsize[i];
1133       const PetscInt    subset_size       = graph->subset_size[i];
1134       const PetscInt    gsubset_size      = graph->gsubset_size[i];
1135       const PetscInt   *subset_idxs       = graph->subset_idxs[i];
1136       const PetscInt   *lsub_queue_global = queue_global + graph->cptr[i];
1137 
1138       k = subset_size;
1139       PetscCall(PetscArrayzero(touched, subset_size));
1140       PetscCall(PetscArraycpy(queue_global_uniq, lsub_queue_global, subset_size));
1141       PetscCall(PetscSortRemoveDupsInt(&k, queue_global_uniq));
1142       PetscCheck(k == gsubset_size, PETSC_COMM_SELF, PETSC_ERR_PLIB, "Invalid local subset %" PetscInt_FMT " size %" PetscInt_FMT " != %" PetscInt_FMT, i, k, gsubset_size);
1143 
1144       PetscInt t = 0, j = 0;
1145       while (t < subset_size) {
1146         while (j < subset_size && touched[j]) j++;
1147         PetscCheck(j < subset_size, PETSC_COMM_SELF, PETSC_ERR_PLIB, "Unexpected %" PetscInt_FMT " >= %" PetscInt_FMT, j, subset_size);
1148         const PetscInt ls = graph->nodes[subset_idxs[j]].local_sub;
1149 
1150         for (k = j; k < subset_size; k++) {
1151           if (graph->nodes[subset_idxs[k]].local_sub == ls) {
1152             PetscInt ig;
1153 
1154             PetscCall(PetscFindInt(lsub_queue_global[k], gsubset_size, queue_global_uniq, &ig));
1155             ilocal[nli]        = subset_idxs[k];
1156             iremote[nli].rank  = rr;
1157             iremote[nli].index = start + ig;
1158             touched[k]         = PETSC_TRUE;
1159             nli++;
1160             t++;
1161           }
1162         }
1163       }
1164     }
1165     PetscCheck(nli == graph->cptr[graph->ncc], PETSC_COMM_SELF, PETSC_ERR_PLIB, "Invalid ilocal size %" PetscInt_FMT " != %" PetscInt_FMT, nli, graph->cptr[graph->ncc]);
1166     PetscCall(PetscSFSetGraph(graph->interface_subset_sf, nri, nli, ilocal, PETSC_OWN_POINTER, iremote, PETSC_OWN_POINTER));
1167     PetscCall(PetscFree(start_rsize));
1168     PetscCall(PetscFree2(queue_global_uniq, touched));
1169   }
1170   PetscCall(PetscFree(queue_global));
1171 
1172   /* free workspace */
1173   graph->setupcalled = PETSC_TRUE;
1174   PetscFunctionReturn(PETSC_SUCCESS);
1175 }
1176 
1177 PetscErrorCode PCBDDCGraphResetCoords(PCBDDCGraph graph)
1178 {
1179   PetscFunctionBegin;
1180   if (!graph) PetscFunctionReturn(PETSC_SUCCESS);
1181   PetscCall(PetscFree(graph->coords));
1182   graph->cdim  = 0;
1183   graph->cnloc = 0;
1184   graph->cloc  = PETSC_FALSE;
1185   PetscFunctionReturn(PETSC_SUCCESS);
1186 }
1187 
1188 PetscErrorCode PCBDDCGraphResetCSR(PCBDDCGraph graph)
1189 {
1190   PetscFunctionBegin;
1191   if (!graph) PetscFunctionReturn(PETSC_SUCCESS);
1192   if (graph->freecsr) {
1193     PetscCall(PetscFree(graph->xadj));
1194     PetscCall(PetscFree(graph->adjncy));
1195   } else {
1196     graph->xadj   = NULL;
1197     graph->adjncy = NULL;
1198   }
1199   graph->freecsr   = PETSC_FALSE;
1200   graph->nvtxs_csr = 0;
1201   PetscFunctionReturn(PETSC_SUCCESS);
1202 }
1203 
1204 PetscErrorCode PCBDDCGraphReset(PCBDDCGraph graph)
1205 {
1206   PetscFunctionBegin;
1207   if (!graph) PetscFunctionReturn(PETSC_SUCCESS);
1208   PetscCall(ISLocalToGlobalMappingDestroy(&graph->l2gmap));
1209   PetscCall(PetscFree(graph->subset_ncc));
1210   PetscCall(PetscFree(graph->subset_ref_node));
1211   for (PetscInt i = 0; i < graph->nvtxs; i++) {
1212     PetscCall(PetscFree(graph->nodes[i].neighbours_set));
1213     PetscCall(PetscFree(graph->nodes[i].local_groups));
1214   }
1215   PetscCall(PetscFree(graph->nodes));
1216   PetscCall(PetscFree2(graph->cptr, graph->queue));
1217   if (graph->subset_idxs) PetscCall(PetscFree(graph->subset_idxs[0]));
1218   PetscCall(PetscFree2(graph->subset_size, graph->subset_idxs));
1219   if (graph->multi_element) PetscCall(PetscFree(graph->gsubset_size));
1220   PetscCall(PetscFree(graph->interface_ref_rsize));
1221   PetscCall(PetscSFDestroy(&graph->interface_subset_sf));
1222   PetscCall(PetscSFDestroy(&graph->interface_ref_sf));
1223   PetscCall(ISDestroy(&graph->dirdofs));
1224   PetscCall(ISDestroy(&graph->dirdofsB));
1225   if (graph->n_local_subs) PetscCall(PetscFree(graph->local_subs));
1226   graph->multi_element       = PETSC_FALSE;
1227   graph->has_dirichlet       = PETSC_FALSE;
1228   graph->twodimset           = PETSC_FALSE;
1229   graph->twodim              = PETSC_FALSE;
1230   graph->nvtxs               = 0;
1231   graph->nvtxs_global        = 0;
1232   graph->n_subsets           = 0;
1233   graph->custom_minimal_size = 1;
1234   graph->n_local_subs        = 0;
1235   graph->maxcount            = PETSC_MAX_INT;
1236   graph->seq_graph           = PETSC_FALSE;
1237   graph->setupcalled         = PETSC_FALSE;
1238   PetscFunctionReturn(PETSC_SUCCESS);
1239 }
1240 
1241 PetscErrorCode PCBDDCGraphInit(PCBDDCGraph graph, ISLocalToGlobalMapping l2gmap, PetscInt N, PetscInt maxcount)
1242 {
1243   PetscInt n;
1244 
1245   PetscFunctionBegin;
1246   PetscAssertPointer(graph, 1);
1247   PetscValidHeaderSpecific(l2gmap, IS_LTOGM_CLASSID, 2);
1248   PetscValidLogicalCollectiveInt(l2gmap, N, 3);
1249   PetscValidLogicalCollectiveInt(l2gmap, maxcount, 4);
1250   /* raise an error if already allocated */
1251   PetscCheck(!graph->nvtxs_global, PetscObjectComm((PetscObject)l2gmap), PETSC_ERR_PLIB, "BDDCGraph already initialized");
1252   /* set number of vertices */
1253   PetscCall(PetscObjectReference((PetscObject)l2gmap));
1254   graph->l2gmap = l2gmap;
1255   PetscCall(ISLocalToGlobalMappingGetSize(l2gmap, &n));
1256   graph->nvtxs        = n;
1257   graph->nvtxs_global = N;
1258   /* allocate used space */
1259   PetscCall(PetscCalloc1(graph->nvtxs, &graph->nodes));
1260   /* use -1 as a default value for which_dof array */
1261   for (n = 0; n < graph->nvtxs; n++) graph->nodes[n].which_dof = -1;
1262 
1263   /* zeroes workspace for values of ncc */
1264   graph->subset_ncc      = NULL;
1265   graph->subset_ref_node = NULL;
1266   /* maxcount for cc */
1267   graph->maxcount = maxcount;
1268   PetscFunctionReturn(PETSC_SUCCESS);
1269 }
1270 
1271 PetscErrorCode PCBDDCGraphDestroy(PCBDDCGraph *graph)
1272 {
1273   PetscFunctionBegin;
1274   PetscCall(PCBDDCGraphResetCSR(*graph));
1275   PetscCall(PCBDDCGraphResetCoords(*graph));
1276   PetscCall(PCBDDCGraphReset(*graph));
1277   PetscCall(PetscFree(*graph));
1278   PetscFunctionReturn(PETSC_SUCCESS);
1279 }
1280 
1281 PetscErrorCode PCBDDCGraphCreate(PCBDDCGraph *graph)
1282 {
1283   PCBDDCGraph new_graph;
1284 
1285   PetscFunctionBegin;
1286   PetscCall(PetscNew(&new_graph));
1287   new_graph->custom_minimal_size = 1;
1288   *graph                         = new_graph;
1289   PetscFunctionReturn(PETSC_SUCCESS);
1290 }
1291