xref: /petsc/src/ksp/pc/impls/bddc/bddcgraph.c (revision 5c2c0cec56e8aa8a299512cc9470ae7abc677dc1)
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   PetscCall(PetscViewerASCIIPushSynchronized(viewer));
80   PetscCall(PetscViewerASCIIGetTab(viewer, &tabs));
81   PetscCall(PetscViewerASCIIPrintf(viewer, "--------------------------------------------------\n"));
82   PetscCall(PetscViewerFlush(viewer));
83   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Local BDDC graph for subdomain %04d (seq %d)\n", PetscGlobalRank, graph->seq_graph));
84   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Number of vertices %" PetscInt_FMT "\n", graph->nvtxs));
85   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Number of local subdomains %" PetscInt_FMT "\n", graph->n_local_subs ? graph->n_local_subs : 1));
86   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Custom minimal size %" PetscInt_FMT "\n", graph->custom_minimal_size));
87   if (graph->maxcount != PETSC_MAX_INT) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Max count %" PetscInt_FMT "\n", graph->maxcount));
88   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Topological two dim? %s (set %s)\n", PetscBools[graph->twodim], PetscBools[graph->twodimset]));
89   if (verbosity_level > 2) {
90     for (i = 0; i < graph->nvtxs; i++) {
91       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "%" PetscInt_FMT ":\n", i));
92       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   which_dof: %" PetscInt_FMT "\n", graph->nodes[i].which_dof));
93       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   special_dof: %" PetscInt_FMT "\n", graph->nodes[i].special_dof));
94       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   shared by: %" PetscInt_FMT "\n", graph->nodes[i].count));
95       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
96       if (graph->nodes[i].count) {
97         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "     set of neighbours:"));
98         for (j = 0; j < graph->nodes[i].count; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->nodes[i].neighbours_set[j]));
99         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
100       }
101       PetscCall(PetscViewerASCIISetTab(viewer, tabs));
102       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
103       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   number of local groups: %" PetscInt_FMT "\n", graph->nodes[i].local_groups_count));
104       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
105       if (graph->nodes[i].local_groups_count) {
106         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "     groups:"));
107         for (j = 0; j < graph->nodes[i].local_groups_count; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->nodes[i].local_groups[j]));
108         PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
109       }
110       PetscCall(PetscViewerASCIISetTab(viewer, tabs));
111       PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
112 
113       if (verbosity_level > 3) {
114         if (graph->xadj) {
115           PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   local adj list:"));
116           PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
117           for (j = graph->xadj[i]; j < graph->xadj[i + 1]; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->adjncy[j]));
118           PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
119           PetscCall(PetscViewerASCIISetTab(viewer, tabs));
120           PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
121         } else {
122           PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   no adj info\n"));
123         }
124       }
125       if (graph->n_local_subs) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   local sub id: %" PetscInt_FMT "\n", graph->local_subs[i]));
126       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "   interface subset id: %" PetscInt_FMT "\n", graph->nodes[i].subset));
127       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]));
128     }
129   }
130   PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "Total number of connected components %" PetscInt_FMT "\n", graph->ncc));
131   PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &queue_in_global_numbering));
132   PetscCall(ISLocalToGlobalMappingApply(graph->l2gmap, graph->cptr[graph->ncc], graph->queue, queue_in_global_numbering));
133   for (i = 0; i < graph->ncc; i++) {
134     PetscInt  node_num = graph->queue[graph->cptr[i]];
135     PetscBool printcc  = PETSC_FALSE;
136     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));
137     PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_FALSE));
138     for (j = 0; j < graph->nodes[node_num].count; j++) PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, " %" PetscInt_FMT, graph->nodes[node_num].neighbours_set[j]));
139     if (verbosity_level > 1) {
140       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "):"));
141       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; }
142       if (printcc) {
143         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]));
144       }
145     } else {
146       PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, ")"));
147     }
148     PetscCall(PetscViewerASCIISynchronizedPrintf(viewer, "\n"));
149     PetscCall(PetscViewerASCIISetTab(viewer, tabs));
150     PetscCall(PetscViewerASCIIUseTabs(viewer, PETSC_TRUE));
151   }
152   PetscCall(PetscFree(queue_in_global_numbering));
153   PetscCall(PetscViewerFlush(viewer));
154   PetscFunctionReturn(PETSC_SUCCESS);
155 }
156 
157 PetscErrorCode PCBDDCGraphRestoreCandidatesIS(PCBDDCGraph graph, PetscInt *n_faces, IS *FacesIS[], PetscInt *n_edges, IS *EdgesIS[], IS *VerticesIS)
158 {
159   PetscInt       i;
160   PetscContainer gcand;
161 
162   PetscFunctionBegin;
163   PetscCall(PetscObjectQuery((PetscObject)graph->l2gmap, "_PCBDDCGraphCandidatesIS", (PetscObject *)&gcand));
164   if (gcand) {
165     if (n_faces) *n_faces = 0;
166     if (n_edges) *n_edges = 0;
167     if (FacesIS) *FacesIS = NULL;
168     if (EdgesIS) *EdgesIS = NULL;
169     if (VerticesIS) *VerticesIS = NULL;
170   }
171   if (n_faces) {
172     if (FacesIS) {
173       for (i = 0; i < *n_faces; i++) PetscCall(ISDestroy(&((*FacesIS)[i])));
174       PetscCall(PetscFree(*FacesIS));
175     }
176     *n_faces = 0;
177   }
178   if (n_edges) {
179     if (EdgesIS) {
180       for (i = 0; i < *n_edges; i++) PetscCall(ISDestroy(&((*EdgesIS)[i])));
181       PetscCall(PetscFree(*EdgesIS));
182     }
183     *n_edges = 0;
184   }
185   if (VerticesIS) PetscCall(ISDestroy(VerticesIS));
186   PetscFunctionReturn(PETSC_SUCCESS);
187 }
188 
189 PetscErrorCode PCBDDCGraphGetCandidatesIS(PCBDDCGraph graph, PetscInt *n_faces, IS *FacesIS[], PetscInt *n_edges, IS *EdgesIS[], IS *VerticesIS)
190 {
191   IS            *ISForFaces, *ISForEdges, ISForVertices;
192   PetscInt       i, nfc, nec, nvc, *idx, *mark;
193   PetscContainer gcand;
194 
195   PetscFunctionBegin;
196   PetscCall(PetscObjectQuery((PetscObject)graph->l2gmap, "_PCBDDCGraphCandidatesIS", (PetscObject *)&gcand));
197   if (gcand) {
198     PCBDDCGraphCandidates cand;
199 
200     PetscCall(PetscContainerGetPointer(gcand, (void **)&cand));
201     if (n_faces) *n_faces = cand->nfc;
202     if (FacesIS) *FacesIS = cand->Faces;
203     if (n_edges) *n_edges = cand->nec;
204     if (EdgesIS) *EdgesIS = cand->Edges;
205     if (VerticesIS) *VerticesIS = cand->Vertices;
206     PetscFunctionReturn(PETSC_SUCCESS);
207   }
208   PetscCall(PetscCalloc1(graph->ncc, &mark));
209   /* loop on ccs to evaluate number of faces, edges and vertices */
210   nfc = 0;
211   nec = 0;
212   nvc = 0;
213   for (i = 0; i < graph->ncc; i++) {
214     PetscInt repdof = graph->queue[graph->cptr[i]];
215     if (graph->cptr[i + 1] - graph->cptr[i] > graph->custom_minimal_size && graph->nodes[repdof].count <= graph->maxcount) {
216       if (!graph->twodim && graph->nodes[repdof].count == 2 && graph->nodes[repdof].special_dof != PCBDDCGRAPH_NEUMANN_MARK) {
217         nfc++;
218         mark[i] = 2;
219       } else {
220         nec++;
221         mark[i] = 1;
222       }
223     } else {
224       nvc += graph->cptr[i + 1] - graph->cptr[i];
225     }
226   }
227 
228   /* allocate IS arrays for faces, edges. Vertices need a single index set. */
229   if (FacesIS) PetscCall(PetscMalloc1(nfc, &ISForFaces));
230   if (EdgesIS) PetscCall(PetscMalloc1(nec, &ISForEdges));
231   if (VerticesIS) PetscCall(PetscMalloc1(nvc, &idx));
232 
233   /* loop on ccs to compute index sets for faces and edges */
234   if (!graph->queue_sorted) {
235     PetscInt *queue_global;
236 
237     PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &queue_global));
238     PetscCall(ISLocalToGlobalMappingApply(graph->l2gmap, graph->cptr[graph->ncc], graph->queue, queue_global));
239     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]]));
240     PetscCall(PetscFree(queue_global));
241     graph->queue_sorted = PETSC_TRUE;
242   }
243   nfc = 0;
244   nec = 0;
245   for (i = 0; i < graph->ncc; i++) {
246     if (mark[i] == 2) {
247       if (FacesIS) PetscCall(ISCreateGeneral(PETSC_COMM_SELF, graph->cptr[i + 1] - graph->cptr[i], &graph->queue[graph->cptr[i]], PETSC_USE_POINTER, &ISForFaces[nfc]));
248       nfc++;
249     } else if (mark[i] == 1) {
250       if (EdgesIS) PetscCall(ISCreateGeneral(PETSC_COMM_SELF, graph->cptr[i + 1] - graph->cptr[i], &graph->queue[graph->cptr[i]], PETSC_USE_POINTER, &ISForEdges[nec]));
251       nec++;
252     }
253   }
254 
255   /* index set for vertices */
256   if (VerticesIS) {
257     nvc = 0;
258     for (i = 0; i < graph->ncc; i++) {
259       if (!mark[i]) {
260         PetscInt j;
261 
262         for (j = graph->cptr[i]; j < graph->cptr[i + 1]; j++) {
263           idx[nvc] = graph->queue[j];
264           nvc++;
265         }
266       }
267     }
268     /* sort vertex set (by local ordering) */
269     PetscCall(PetscSortInt(nvc, idx));
270     PetscCall(ISCreateGeneral(PETSC_COMM_SELF, nvc, idx, PETSC_OWN_POINTER, &ISForVertices));
271   }
272   PetscCall(PetscFree(mark));
273 
274   /* get back info */
275   if (n_faces) *n_faces = nfc;
276   if (FacesIS) *FacesIS = ISForFaces;
277   if (n_edges) *n_edges = nec;
278   if (EdgesIS) *EdgesIS = ISForEdges;
279   if (VerticesIS) *VerticesIS = ISForVertices;
280   PetscFunctionReturn(PETSC_SUCCESS);
281 }
282 
283 PetscErrorCode PCBDDCGraphComputeConnectedComponents(PCBDDCGraph graph)
284 {
285   PetscBool adapt_interface;
286   MPI_Comm  interface_comm;
287   PetscBT   cornerp = NULL;
288 
289   PetscFunctionBegin;
290   PetscCall(PetscObjectGetComm((PetscObject)graph->l2gmap, &interface_comm));
291   /* compute connected components locally */
292   PetscCall(PCBDDCGraphComputeConnectedComponentsLocal(graph));
293   if (graph->seq_graph) PetscFunctionReturn(PETSC_SUCCESS);
294 
295   if (graph->active_coords && !graph->multi_element) { /* face based corner selection XXX multi_element */
296     PetscBT    excluded;
297     PetscReal *wdist;
298     PetscInt   n_neigh, *neigh, *n_shared, **shared;
299     PetscInt   maxc, ns;
300 
301     PetscCall(PetscBTCreate(graph->nvtxs, &cornerp));
302     PetscCall(ISLocalToGlobalMappingGetInfo(graph->l2gmap, &n_neigh, &neigh, &n_shared, &shared));
303     for (ns = 1, maxc = 0; ns < n_neigh; ns++) maxc = PetscMax(maxc, n_shared[ns]);
304     PetscCall(PetscMalloc1(maxc * graph->cdim, &wdist));
305     PetscCall(PetscBTCreate(maxc, &excluded));
306 
307     for (ns = 1; ns < n_neigh; ns++) { /* first proc is self */
308       PetscReal *anchor, mdist;
309       PetscInt   fst, j, k, d, cdim = graph->cdim, n = n_shared[ns];
310       PetscInt   point1, point2, point3, point4;
311 
312       /* import coordinates on shared interface */
313       PetscCall(PetscBTMemzero(n, excluded));
314       for (j = 0, fst = -1, k = 0; j < n; j++) {
315         PetscBool skip = PETSC_FALSE;
316         for (d = 0; d < cdim; d++) {
317           PetscReal c = graph->coords[shared[ns][j] * cdim + d];
318           skip        = (PetscBool)(skip || c == PETSC_MAX_REAL);
319           wdist[k++]  = c;
320         }
321         if (skip) {
322           PetscCall(PetscBTSet(excluded, j));
323         } else if (fst == -1) fst = j;
324       }
325       if (fst == -1) continue;
326 
327       /* the dofs are sorted by global numbering, so each rank starts from the same id
328          and it will detect the same corners from the given set */
329 
330       /* find the farthest point from the starting one */
331       anchor = wdist + fst * cdim;
332       mdist  = -1.0;
333       point1 = fst;
334       for (j = fst; j < n; j++) {
335         PetscReal dist = 0.0;
336 
337         if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
338         for (d = 0; d < cdim; d++) dist += (wdist[j * cdim + d] - anchor[d]) * (wdist[j * cdim + d] - anchor[d]);
339         if (dist > mdist) {
340           mdist  = dist;
341           point1 = j;
342         }
343       }
344 
345       /* find the farthest point from point1 */
346       anchor = wdist + point1 * cdim;
347       mdist  = -1.0;
348       point2 = point1;
349       for (j = fst; j < n; j++) {
350         PetscReal dist = 0.0;
351 
352         if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
353         for (d = 0; d < cdim; d++) dist += (wdist[j * cdim + d] - anchor[d]) * (wdist[j * cdim + d] - anchor[d]);
354         if (dist > mdist) {
355           mdist  = dist;
356           point2 = j;
357         }
358       }
359 
360       /* find the third point maximizing the triangle area */
361       point3 = point2;
362       if (cdim > 2) {
363         PetscReal a = 0.0;
364 
365         for (d = 0; d < cdim; d++) a += (wdist[point1 * cdim + d] - wdist[point2 * cdim + d]) * (wdist[point1 * cdim + d] - wdist[point2 * cdim + d]);
366         a     = PetscSqrtReal(a);
367         mdist = -1.0;
368         for (j = fst; j < n; j++) {
369           PetscReal area, b = 0.0, c = 0.0, s;
370 
371           if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
372           for (d = 0; d < cdim; d++) {
373             b += (wdist[point1 * cdim + d] - wdist[j * cdim + d]) * (wdist[point1 * cdim + d] - wdist[j * cdim + d]);
374             c += (wdist[point2 * cdim + d] - wdist[j * cdim + d]) * (wdist[point2 * cdim + d] - wdist[j * cdim + d]);
375           }
376           b = PetscSqrtReal(b);
377           c = PetscSqrtReal(c);
378           s = 0.5 * (a + b + c);
379 
380           /* Heron's formula, area squared */
381           area = s * (s - a) * (s - b) * (s - c);
382           if (area > mdist) {
383             mdist  = area;
384             point3 = j;
385           }
386         }
387       }
388 
389       /* find the farthest point from point3 different from point1 and point2 */
390       anchor = wdist + point3 * cdim;
391       mdist  = -1.0;
392       point4 = point3;
393       for (j = fst; j < n; j++) {
394         PetscReal dist = 0.0;
395 
396         if (PetscUnlikely(PetscBTLookup(excluded, j)) || j == point1 || j == point2 || j == point3) continue;
397         for (d = 0; d < cdim; d++) dist += (wdist[j * cdim + d] - anchor[d]) * (wdist[j * cdim + d] - anchor[d]);
398         if (dist > mdist) {
399           mdist  = dist;
400           point4 = j;
401         }
402       }
403 
404       PetscCall(PetscBTSet(cornerp, shared[ns][point1]));
405       PetscCall(PetscBTSet(cornerp, shared[ns][point2]));
406       PetscCall(PetscBTSet(cornerp, shared[ns][point3]));
407       PetscCall(PetscBTSet(cornerp, shared[ns][point4]));
408 
409       /* all dofs having the same coordinates will be primal */
410       for (j = fst; j < n; j++) {
411         PetscBool same[] = {PETSC_TRUE, PETSC_TRUE, PETSC_TRUE, PETSC_TRUE};
412 
413         if (PetscUnlikely(PetscBTLookup(excluded, j))) continue;
414         for (d = 0; d < cdim; d++) {
415           same[0] = (PetscBool)(same[0] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point1 * cdim + d]) < PETSC_SMALL));
416           same[1] = (PetscBool)(same[1] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point2 * cdim + d]) < PETSC_SMALL));
417           same[2] = (PetscBool)(same[2] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point3 * cdim + d]) < PETSC_SMALL));
418           same[3] = (PetscBool)(same[3] && (PetscAbsReal(wdist[j * cdim + d] - wdist[point4 * cdim + d]) < PETSC_SMALL));
419         }
420         if (same[0] || same[1] || same[2] || same[3]) PetscCall(PetscBTSet(cornerp, shared[ns][j]));
421       }
422     }
423     PetscCall(PetscBTDestroy(&excluded));
424     PetscCall(PetscFree(wdist));
425     PetscCall(ISLocalToGlobalMappingRestoreInfo(graph->l2gmap, &n_neigh, &neigh, &n_shared, &shared));
426   }
427 
428   /* Adapt connected components if needed */
429   adapt_interface = (cornerp || graph->multi_element) ? PETSC_TRUE : PETSC_FALSE;
430   for (PetscInt i = 0; i < graph->n_subsets && !adapt_interface; i++) {
431     if (graph->subset_ncc[i] > 1) adapt_interface = PETSC_TRUE;
432   }
433   PetscCallMPI(MPIU_Allreduce(MPI_IN_PLACE, &adapt_interface, 1, MPIU_BOOL, MPI_LOR, interface_comm));
434   if (adapt_interface) {
435     PetscSF         msf;
436     const PetscInt *n_ref_sharing;
437     PetscInt       *labels, *rootlabels, *mrlabels;
438     PetscInt        nr, nmr, nrs, ncc, cum_queue;
439 
440     PetscCall(PetscMalloc1(graph->nvtxs, &labels));
441     PetscCall(PetscArrayzero(labels, graph->nvtxs));
442     for (PetscInt i = 0, k = 0; i < graph->ncc; i++) {
443       PetscInt s = 1;
444       for (PetscInt j = graph->cptr[i]; j < graph->cptr[i + 1]; j++) {
445         if (cornerp && PetscBTLookup(cornerp, graph->queue[j])) {
446           labels[graph->queue[j]] = -(k + s + 1);
447           s += 1;
448         } else {
449           labels[graph->queue[j]] = -(k + 1);
450         }
451       }
452       k += s;
453     }
454     PetscCall(PetscSFGetGraph(graph->interface_ref_sf, &nr, NULL, NULL, NULL));
455     PetscCall(PetscSFGetGraph(graph->interface_subset_sf, &nrs, NULL, NULL, NULL));
456     PetscCall(PetscSFGetMultiSF(graph->interface_subset_sf, &msf));
457     PetscCall(PetscSFGetGraph(msf, &nmr, NULL, NULL, NULL));
458     PetscCall(PetscCalloc2(nmr, &mrlabels, nrs, &rootlabels));
459 
460     PetscCall(PetscSFComputeDegreeBegin(graph->interface_subset_sf, &n_ref_sharing));
461     PetscCall(PetscSFComputeDegreeEnd(graph->interface_subset_sf, &n_ref_sharing));
462     PetscCall(PetscSFGatherBegin(graph->interface_subset_sf, MPIU_INT, labels, mrlabels));
463     PetscCall(PetscSFGatherEnd(graph->interface_subset_sf, MPIU_INT, labels, mrlabels));
464 
465     /* analyze contributions from processes
466        The structure of mrlabels is suitable to find intersections of ccs.
467        supposing the root subset has dimension 5 and leaves with labels:
468          0: [4 4 7 4 7], (2 connected components)
469          1: [3 2 2 3 2], (2 connected components)
470          2: [1 1 6 5 6], (3 connected components)
471        the multiroot data and the new labels corresponding to intersected connected components will be (column major)
472 
473                   4 4 7 4 7
474        mrlabels   3 2 2 3 2
475                   1 1 6 5 6
476                   ---------
477        rootlabels 0 1 2 3 2
478     */
479     for (PetscInt i = 0, rcumlabels = 0, mcumlabels = 0; i < nr; i++) {
480       const PetscInt  subset_size    = graph->interface_ref_rsize[i];
481       const PetscInt *n_sharing      = n_ref_sharing + rcumlabels;
482       const PetscInt *mrbuffer       = mrlabels + mcumlabels;
483       PetscInt       *rbuffer        = rootlabels + rcumlabels;
484       PetscInt        subset_counter = 0;
485 
486       for (PetscInt j = 0; j < subset_size; j++) {
487         if (!rbuffer[j]) { /* found a new cc  */
488           const PetscInt *jlabels = mrbuffer + j * n_sharing[0];
489           rbuffer[j]              = ++subset_counter;
490 
491           for (PetscInt k = j + 1; k < subset_size; k++) { /* check for other nodes in new cc */
492             PetscBool       same_set = PETSC_TRUE;
493             const PetscInt *klabels  = mrbuffer + k * n_sharing[0];
494 
495             for (PetscInt s = 0; s < n_sharing[0]; s++) {
496               if (jlabels[s] != klabels[s]) {
497                 same_set = PETSC_FALSE;
498                 break;
499               }
500             }
501             if (same_set) rbuffer[k] = subset_counter;
502           }
503         }
504       }
505       if (subset_size) {
506         rcumlabels += subset_size;
507         mcumlabels += n_sharing[0] * subset_size;
508       }
509     }
510 
511     /* Now communicate the intersected labels */
512     PetscCall(PetscSFBcastBegin(graph->interface_subset_sf, MPIU_INT, rootlabels, labels, MPI_REPLACE));
513     PetscCall(PetscSFBcastEnd(graph->interface_subset_sf, MPIU_INT, rootlabels, labels, MPI_REPLACE));
514     PetscCall(PetscFree2(mrlabels, rootlabels));
515 
516     /* and adapt local connected components */
517     PetscInt  *ocptr, *oqueue;
518     PetscBool *touched;
519 
520     PetscCall(PetscMalloc3(graph->ncc + 1, &ocptr, graph->cptr[graph->ncc], &oqueue, graph->cptr[graph->ncc], &touched));
521     PetscCall(PetscArraycpy(ocptr, graph->cptr, graph->ncc + 1));
522     PetscCall(PetscArraycpy(oqueue, graph->queue, graph->cptr[graph->ncc]));
523     PetscCall(PetscArrayzero(touched, graph->cptr[graph->ncc]));
524 
525     ncc       = 0;
526     cum_queue = 0;
527     for (PetscInt i = 0; i < graph->ncc; i++) {
528       for (PetscInt j = ocptr[i]; j < ocptr[i + 1]; j++) {
529         const PetscInt jlabel = labels[oqueue[j]];
530 
531         if (jlabel) {
532           graph->cptr[ncc] = cum_queue;
533           ncc++;
534           for (PetscInt k = j; k < ocptr[i + 1]; k++) { /* check for other nodes in new cc */
535             if (labels[oqueue[k]] == jlabel) {
536               graph->queue[cum_queue++] = oqueue[k];
537               labels[oqueue[k]]         = 0;
538             }
539           }
540         }
541       }
542     }
543     PetscCall(PetscFree3(ocptr, oqueue, touched));
544     PetscCall(PetscFree(labels));
545     graph->cptr[ncc]    = cum_queue;
546     graph->queue_sorted = PETSC_FALSE;
547     graph->ncc          = ncc;
548   }
549   PetscCall(PetscBTDestroy(&cornerp));
550 
551   /* Determine if we are in 2D or 3D */
552   if (!graph->twodimset) {
553     PetscBool twodim = PETSC_TRUE;
554     for (PetscInt i = 0; i < graph->ncc; i++) {
555       PetscInt repdof = graph->queue[graph->cptr[i]];
556       PetscInt ccsize = graph->cptr[i + 1] - graph->cptr[i];
557       if (graph->nodes[repdof].count > 2 && ccsize > graph->custom_minimal_size) {
558         twodim = PETSC_FALSE;
559         break;
560       }
561     }
562     PetscCall(MPIU_Allreduce(&twodim, &graph->twodim, 1, MPIU_BOOL, MPI_LAND, PetscObjectComm((PetscObject)graph->l2gmap)));
563     graph->twodimset = PETSC_TRUE;
564   }
565   PetscFunctionReturn(PETSC_SUCCESS);
566 }
567 
568 static inline PetscErrorCode PCBDDCGraphComputeCC_Private(PCBDDCGraph graph, PetscInt pid, PetscInt *PETSC_RESTRICT queue_tip, PetscInt n_prev, PetscInt *n_added)
569 {
570   PetscInt i, j, n = 0;
571 
572   const PetscInt *PETSC_RESTRICT xadj        = graph->xadj;
573   const PetscInt *PETSC_RESTRICT adjncy      = graph->adjncy;
574   const PetscInt *PETSC_RESTRICT subset_idxs = graph->subset_idxs[pid - 1];
575   const PetscInt *PETSC_RESTRICT local_subs  = graph->local_subs;
576   const PetscInt                 subset_size = graph->subset_size[pid - 1];
577 
578   PCBDDCGraphNode *PETSC_RESTRICT nodes = graph->nodes;
579 
580   const PetscBool havecsr  = (PetscBool)(!!xadj);
581   const PetscBool havesubs = (PetscBool)(!!graph->n_local_subs);
582 
583   PetscFunctionBegin;
584   if (havecsr && !havesubs) {
585     for (i = -n_prev; i < 0; i++) {
586       const PetscInt start_dof = queue_tip[i];
587 
588       /* we assume that if a dof has a size 1 adjacency list and the corresponding entry is negative, it is connected to all dofs */
589       if (xadj[start_dof + 1] - xadj[start_dof] == 1 && adjncy[xadj[start_dof]] < 0) {
590         for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
591           const PetscInt dof = subset_idxs[j];
592 
593           if (!nodes[dof].touched && nodes[dof].subset == pid) {
594             nodes[dof].touched = PETSC_TRUE;
595             queue_tip[n]       = dof;
596             n++;
597           }
598         }
599       } else {
600         for (j = xadj[start_dof]; j < xadj[start_dof + 1]; j++) {
601           const PetscInt dof = adjncy[j];
602 
603           if (!nodes[dof].touched && nodes[dof].subset == pid) {
604             nodes[dof].touched = PETSC_TRUE;
605             queue_tip[n]       = dof;
606             n++;
607           }
608         }
609       }
610     }
611   } else if (havecsr && havesubs) {
612     const PetscInt sid = local_subs[queue_tip[-n_prev]];
613 
614     for (i = -n_prev; i < 0; i++) {
615       const PetscInt start_dof = queue_tip[i];
616 
617       /* 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 */
618       if (xadj[start_dof + 1] - xadj[start_dof] == 1 && adjncy[xadj[start_dof]] < 0) {
619         for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
620           const PetscInt dof = subset_idxs[j];
621 
622           if (!nodes[dof].touched && nodes[dof].subset == pid && local_subs[dof] == sid) {
623             nodes[dof].touched = PETSC_TRUE;
624             queue_tip[n]       = dof;
625             n++;
626           }
627         }
628       } else {
629         for (j = xadj[start_dof]; j < xadj[start_dof + 1]; j++) {
630           const PetscInt dof = adjncy[j];
631 
632           if (!nodes[dof].touched && nodes[dof].subset == pid && local_subs[dof] == sid) {
633             nodes[dof].touched = PETSC_TRUE;
634             queue_tip[n]       = dof;
635             n++;
636           }
637         }
638       }
639     }
640   } else if (havesubs) { /* sub info only */
641     const PetscInt sid = local_subs[queue_tip[-n_prev]];
642 
643     for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
644       const PetscInt dof = subset_idxs[j];
645 
646       if (!nodes[dof].touched && nodes[dof].subset == pid && local_subs[dof] == sid) {
647         nodes[dof].touched = PETSC_TRUE;
648         queue_tip[n]       = dof;
649         n++;
650       }
651     }
652   } else {
653     for (j = 0; j < subset_size; j++) { /* pid \in [1,graph->n_subsets] */
654       const PetscInt dof = subset_idxs[j];
655 
656       if (!nodes[dof].touched && nodes[dof].subset == pid) {
657         nodes[dof].touched = PETSC_TRUE;
658         queue_tip[n]       = dof;
659         n++;
660       }
661     }
662   }
663   *n_added = n;
664   PetscFunctionReturn(PETSC_SUCCESS);
665 }
666 
667 PetscErrorCode PCBDDCGraphComputeConnectedComponentsLocal(PCBDDCGraph graph)
668 {
669   PetscInt ncc, cum_queue;
670 
671   PetscFunctionBegin;
672   PetscCheck(graph->setupcalled, PetscObjectComm((PetscObject)graph->l2gmap), PETSC_ERR_ORDER, "PCBDDCGraphSetUp should be called first");
673   /* quiet return if there isn't any local info */
674   if (!graph->xadj && !graph->n_local_subs) PetscFunctionReturn(PETSC_SUCCESS);
675 
676   /* reset any previous search of connected components */
677   for (PetscInt i = 0; i < graph->nvtxs; i++) graph->nodes[i].touched = PETSC_FALSE;
678   if (!graph->seq_graph) {
679     for (PetscInt i = 0; i < graph->nvtxs; i++) {
680       if (graph->nodes[i].special_dof == PCBDDCGRAPH_DIRICHLET_MARK || graph->nodes[i].count < 2) graph->nodes[i].touched = PETSC_TRUE;
681     }
682   }
683 
684   /* begin search for connected components */
685   cum_queue = 0;
686   ncc       = 0;
687   for (PetscInt n = 0; n < graph->n_subsets; n++) {
688     const PetscInt *subset_idxs = graph->subset_idxs[n];
689     const PetscInt  pid         = n + 1; /* partition labeled by 0 is discarded */
690 
691     PetscInt found = 0, prev = 0, first = 0, ncc_pid = 0;
692 
693     while (found != graph->subset_size[n]) {
694       PetscInt added = 0;
695 
696       if (!prev) { /* search for new starting dof */
697         while (graph->nodes[subset_idxs[first]].touched) first++;
698         graph->nodes[subset_idxs[first]].touched = PETSC_TRUE;
699         graph->queue[cum_queue]                  = subset_idxs[first];
700         graph->cptr[ncc]                         = cum_queue;
701         prev                                     = 1;
702         cum_queue++;
703         found++;
704         ncc_pid++;
705         ncc++;
706       }
707       PetscCall(PCBDDCGraphComputeCC_Private(graph, pid, graph->queue + cum_queue, prev, &added));
708       if (!added) {
709         graph->subset_ncc[n] = ncc_pid;
710         graph->cptr[ncc]     = cum_queue;
711       }
712       prev = added;
713       found += added;
714       cum_queue += added;
715       if (added && found == graph->subset_size[n]) {
716         graph->subset_ncc[n] = ncc_pid;
717         graph->cptr[ncc]     = cum_queue;
718       }
719     }
720   }
721   graph->ncc          = ncc;
722   graph->queue_sorted = PETSC_FALSE;
723   PetscFunctionReturn(PETSC_SUCCESS);
724 }
725 
726 PetscErrorCode PCBDDCGraphSetUp(PCBDDCGraph graph, PetscInt custom_minimal_size, IS neumann_is, IS dirichlet_is, PetscInt n_ISForDofs, IS ISForDofs[], IS custom_primal_vertices)
727 {
728   IS              subset;
729   MPI_Comm        comm;
730   const PetscInt *is_indices;
731   PetscInt       *queue_global, *nodecount, **nodeneighs;
732   PetscInt        i, j, k, total_counts, nodes_touched, is_size, nvtxs = graph->nvtxs;
733   PetscMPIInt     size, rank;
734   PetscBool       same_set;
735 
736   PetscFunctionBegin;
737   PetscValidLogicalCollectiveInt(graph->l2gmap, custom_minimal_size, 2);
738   if (neumann_is) {
739     PetscValidHeaderSpecific(neumann_is, IS_CLASSID, 3);
740     PetscCheckSameComm(graph->l2gmap, 1, neumann_is, 3);
741   }
742   graph->has_dirichlet = PETSC_FALSE;
743   if (dirichlet_is) {
744     PetscValidHeaderSpecific(dirichlet_is, IS_CLASSID, 4);
745     PetscCheckSameComm(graph->l2gmap, 1, dirichlet_is, 4);
746     graph->has_dirichlet = PETSC_TRUE;
747   }
748   PetscValidLogicalCollectiveInt(graph->l2gmap, n_ISForDofs, 5);
749   for (i = 0; i < n_ISForDofs; i++) {
750     PetscValidHeaderSpecific(ISForDofs[i], IS_CLASSID, 6);
751     PetscCheckSameComm(graph->l2gmap, 1, ISForDofs[i], 6);
752   }
753   if (custom_primal_vertices) {
754     PetscValidHeaderSpecific(custom_primal_vertices, IS_CLASSID, 7);
755     PetscCheckSameComm(graph->l2gmap, 1, custom_primal_vertices, 7);
756   }
757   for (i = 0; i < nvtxs; i++) graph->nodes[i].touched = PETSC_FALSE;
758 
759   PetscCall(PetscObjectGetComm((PetscObject)graph->l2gmap, &comm));
760   PetscCallMPI(MPI_Comm_size(comm, &size));
761   PetscCallMPI(MPI_Comm_rank(comm, &rank));
762 
763   /* custom_minimal_size */
764   graph->custom_minimal_size = custom_minimal_size;
765 
766   /* get node info from l2gmap */
767   PetscCall(ISLocalToGlobalMappingGetNodeInfo(graph->l2gmap, NULL, &nodecount, &nodeneighs));
768 
769   /* Allocate space for storing the set of neighbours for each node */
770   graph->multi_element = PETSC_FALSE;
771   for (i = 0; i < nvtxs; i++) {
772     graph->nodes[i].count = nodecount[i];
773     if (!graph->seq_graph) {
774       PetscCall(PetscMalloc1(nodecount[i], &graph->nodes[i].neighbours_set));
775       PetscCall(PetscArraycpy(graph->nodes[i].neighbours_set, nodeneighs[i], nodecount[i]));
776 
777       if (!graph->multi_element) {
778         PetscInt nself;
779         for (j = 0, nself = 0; j < graph->nodes[i].count; j++)
780           if (graph->nodes[i].neighbours_set[j] == rank) nself++;
781         if (nself > 1) graph->multi_element = PETSC_TRUE;
782       }
783     } else {
784       PetscCall(PetscCalloc1(nodecount[i], &graph->nodes[i].neighbours_set));
785     }
786   }
787   PetscCall(ISLocalToGlobalMappingRestoreNodeInfo(graph->l2gmap, NULL, &nodecount, &nodeneighs));
788   PetscCallMPI(MPIU_Allreduce(MPI_IN_PLACE, &graph->multi_element, 1, MPIU_BOOL, MPI_LOR, comm));
789 
790   /* compute local groups */
791   if (graph->multi_element) {
792     const PetscInt *idxs, *indegree;
793     IS              is, lis;
794     PetscLayout     layout;
795     PetscSF         sf, multisf;
796     PetscInt        n, nmulti, c, *multi_root_subs, *start;
797 
798     PetscCheck(graph->local_subs, PETSC_COMM_SELF, PETSC_ERR_PLIB, "Missing local subdomain information");
799 
800     PetscCall(ISLocalToGlobalMappingGetIndices(graph->l2gmap, &idxs));
801     PetscCall(ISCreateGeneral(PETSC_COMM_SELF, nvtxs, idxs, PETSC_USE_POINTER, &is));
802     PetscCall(ISRenumber(is, NULL, &n, &lis));
803     PetscCall(ISDestroy(&is));
804 
805     PetscCall(ISLocalToGlobalMappingRestoreIndices(graph->l2gmap, &idxs));
806     PetscCall(ISGetIndices(lis, &idxs));
807     PetscCall(PetscLayoutCreate(PETSC_COMM_SELF, &layout));
808     PetscCall(PetscLayoutSetSize(layout, n));
809     PetscCall(PetscSFCreate(PETSC_COMM_SELF, &sf));
810     PetscCall(PetscSFSetGraphLayout(sf, layout, nvtxs, NULL, PETSC_OWN_POINTER, idxs));
811     PetscCall(PetscLayoutDestroy(&layout));
812     PetscCall(PetscSFGetMultiSF(sf, &multisf));
813     PetscCall(PetscSFComputeDegreeBegin(sf, &indegree));
814     PetscCall(PetscSFComputeDegreeEnd(sf, &indegree));
815     PetscCall(PetscSFGetGraph(multisf, &nmulti, NULL, NULL, NULL));
816     PetscCall(PetscMalloc2(nmulti, &multi_root_subs, n + 1, &start));
817     start[0] = 0;
818     for (i = 0; i < n; i++) start[i + 1] = start[i] + indegree[i];
819     PetscCall(PetscSFGatherBegin(sf, MPIU_INT, graph->local_subs, multi_root_subs));
820     PetscCall(PetscSFGatherEnd(sf, MPIU_INT, graph->local_subs, multi_root_subs));
821     for (i = 0; i < nvtxs; i++) {
822       PetscInt gid = idxs[i];
823 
824       graph->nodes[i].local_sub = graph->local_subs[i];
825       for (j = 0, c = 0; j < graph->nodes[i].count; j++) {
826         if (graph->nodes[i].neighbours_set[j] == rank) c++;
827       }
828       PetscCheck(c == indegree[idxs[i]], PETSC_COMM_SELF, PETSC_ERR_PLIB, "%" PetscInt_FMT " != %" PetscInt_FMT, c, indegree[idxs[i]]);
829       PetscCall(PetscMalloc1(c, &graph->nodes[i].local_groups));
830       for (j = 0; j < c; j++) graph->nodes[i].local_groups[j] = multi_root_subs[start[gid] + j];
831       PetscCall(PetscSortInt(c, graph->nodes[i].local_groups));
832       graph->nodes[i].local_groups_count = c;
833     }
834     PetscCall(PetscFree2(multi_root_subs, start));
835     PetscCall(ISRestoreIndices(lis, &idxs));
836     PetscCall(ISDestroy(&lis));
837     PetscCall(PetscSFDestroy(&sf));
838   }
839 
840   /*
841      Get info for dofs splitting
842      User can specify just a subset; an additional field is considered as a complementary field
843   */
844   for (i = 0, k = 0; i < n_ISForDofs; i++) {
845     PetscInt bs;
846 
847     PetscCall(ISGetBlockSize(ISForDofs[i], &bs));
848     k += bs;
849   }
850   for (i = 0; i < nvtxs; i++) graph->nodes[i].which_dof = k; /* by default a dof belongs to the complement set */
851   for (i = 0, k = 0; i < n_ISForDofs; i++) {
852     PetscInt bs;
853 
854     PetscCall(ISGetLocalSize(ISForDofs[i], &is_size));
855     PetscCall(ISGetBlockSize(ISForDofs[i], &bs));
856     PetscCall(ISGetIndices(ISForDofs[i], (const PetscInt **)&is_indices));
857     for (j = 0; j < is_size / bs; j++) {
858       PetscInt b;
859 
860       for (b = 0; b < bs; b++) {
861         PetscInt jj = bs * j + b;
862 
863         if (is_indices[jj] > -1 && is_indices[jj] < nvtxs) { /* out of bounds indices (if any) are skipped */
864           graph->nodes[is_indices[jj]].which_dof = k + b;
865         }
866       }
867     }
868     PetscCall(ISRestoreIndices(ISForDofs[i], (const PetscInt **)&is_indices));
869     k += bs;
870   }
871 
872   /* Take into account Neumann nodes */
873   if (neumann_is) {
874     PetscCall(ISGetLocalSize(neumann_is, &is_size));
875     PetscCall(ISGetIndices(neumann_is, (const PetscInt **)&is_indices));
876     for (i = 0; i < is_size; i++) {
877       if (is_indices[i] > -1 && is_indices[i] < nvtxs) { /* out of bounds indices (if any) are skipped */
878         graph->nodes[is_indices[i]].special_dof = PCBDDCGRAPH_NEUMANN_MARK;
879       }
880     }
881     PetscCall(ISRestoreIndices(neumann_is, (const PetscInt **)&is_indices));
882   }
883 
884   /* Take into account Dirichlet nodes (they overwrite any mark previously set) */
885   if (dirichlet_is) {
886     PetscCall(ISGetLocalSize(dirichlet_is, &is_size));
887     PetscCall(ISGetIndices(dirichlet_is, (const PetscInt **)&is_indices));
888     for (i = 0; i < is_size; i++) {
889       if (is_indices[i] > -1 && is_indices[i] < nvtxs) { /* out of bounds indices (if any) are skipped */
890         if (!graph->seq_graph) {                         /* dirichlet nodes treated as internal */
891           graph->nodes[is_indices[i]].touched = PETSC_TRUE;
892           graph->nodes[is_indices[i]].subset  = 0;
893         }
894         graph->nodes[is_indices[i]].special_dof = PCBDDCGRAPH_DIRICHLET_MARK;
895       }
896     }
897     PetscCall(ISRestoreIndices(dirichlet_is, (const PetscInt **)&is_indices));
898   }
899 
900   /* mark special nodes (if any) -> each will become a single dof equivalence class (i.e. point constraint for BDDC) */
901   if (custom_primal_vertices) {
902     PetscCall(ISGetLocalSize(custom_primal_vertices, &is_size));
903     PetscCall(ISGetIndices(custom_primal_vertices, (const PetscInt **)&is_indices));
904     for (i = 0, j = 0; i < is_size; i++) {
905       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 */
906         graph->nodes[is_indices[i]].special_dof = PCBDDCGRAPH_SPECIAL_MARK - j;
907         j++;
908       }
909     }
910     PetscCall(ISRestoreIndices(custom_primal_vertices, (const PetscInt **)&is_indices));
911   }
912 
913   /* mark interior nodes as touched and belonging to partition number 0 */
914   if (!graph->seq_graph) {
915     for (i = 0; i < nvtxs; i++) {
916       if (graph->nodes[i].count < 2) {
917         graph->nodes[i].touched = PETSC_TRUE;
918         graph->nodes[i].subset  = 0;
919       }
920     }
921   }
922 
923   /* init graph structure and compute default subsets */
924   nodes_touched = 0;
925   for (i = 0; i < nvtxs; i++)
926     if (graph->nodes[i].touched) nodes_touched++;
927 
928   i            = 0;
929   graph->ncc   = 0;
930   total_counts = 0;
931 
932   /* allocated space for queues */
933   if (graph->seq_graph) {
934     PetscCall(PetscMalloc2(nvtxs + 1, &graph->cptr, nvtxs, &graph->queue));
935   } else {
936     PetscInt nused = nvtxs - nodes_touched;
937     PetscCall(PetscMalloc2(nused + 1, &graph->cptr, nused, &graph->queue));
938   }
939 
940   while (nodes_touched < nvtxs) {
941     /*  find first untouched node in local ordering */
942     while (graph->nodes[i].touched) i++;
943     graph->nodes[i].touched    = PETSC_TRUE;
944     graph->nodes[i].subset     = graph->ncc + 1;
945     graph->cptr[graph->ncc]    = total_counts;
946     graph->queue[total_counts] = i;
947     total_counts++;
948     nodes_touched++;
949 
950     /* now find all other nodes having the same set of sharing subdomains */
951     const PCBDDCGraphNode         *nodei               = &graph->nodes[i];
952     const PetscInt                 icount              = nodei->count;
953     const PetscInt                 iwhich_dof          = nodei->which_dof;
954     const PetscInt                 ispecial_dof        = nodei->special_dof;
955     const PetscInt                 ilocal_groups_count = nodei->local_groups_count;
956     const PetscInt *PETSC_RESTRICT ineighbours_set     = nodei->neighbours_set;
957     const PetscInt *PETSC_RESTRICT ilocal_groups       = nodei->local_groups;
958     for (j = i + 1; j < nvtxs; j++) {
959       PCBDDCGraphNode *PETSC_RESTRICT nodej = &graph->nodes[j];
960 
961       if (nodej->touched) continue;
962       /* check for same number of sharing subdomains, dof number and same special mark */
963       if (icount == nodej->count && iwhich_dof == nodej->which_dof && ispecial_dof == nodej->special_dof) {
964         PetscBool mpi_shared = PETSC_TRUE;
965 
966         /* check for same set of sharing subdomains */
967         same_set = PETSC_TRUE;
968         for (k = 0; k < icount; k++) {
969           if (ineighbours_set[k] != nodej->neighbours_set[k]) {
970             same_set = PETSC_FALSE;
971             break;
972           }
973         }
974 
975         if (graph->multi_element) {
976           mpi_shared = PETSC_FALSE;
977           for (k = 0; k < icount; k++)
978             if (ineighbours_set[k] != rank) {
979               mpi_shared = PETSC_TRUE;
980               break;
981             }
982         }
983 
984         /* check for same local groups
985            shared dofs at the process boundaries will be handled differently */
986         if (same_set && !mpi_shared) {
987           if (ilocal_groups_count != nodej->local_groups_count) same_set = PETSC_FALSE;
988           else {
989             for (k = 0; k < ilocal_groups_count; k++) {
990               if (ilocal_groups[k] != nodej->local_groups[k]) {
991                 same_set = PETSC_FALSE;
992                 break;
993               }
994             }
995           }
996         }
997 
998         /* Add to subset */
999         if (same_set) {
1000           nodej->touched = PETSC_TRUE;
1001           nodej->subset  = graph->ncc + 1;
1002           nodes_touched++;
1003           graph->queue[total_counts] = j;
1004           total_counts++;
1005         }
1006       }
1007     }
1008     graph->ncc++;
1009   }
1010   graph->cptr[graph->ncc] = total_counts;
1011 
1012   /* set default number of subsets */
1013   graph->n_subsets = graph->ncc;
1014   PetscCall(PetscMalloc1(graph->n_subsets, &graph->subset_ncc));
1015   for (i = 0; i < graph->n_subsets; i++) graph->subset_ncc[i] = 1;
1016 
1017   PetscCall(PetscMalloc1(graph->ncc, &graph->subset_ref_node));
1018   PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &queue_global));
1019   PetscCall(PetscMalloc2(graph->ncc, &graph->subset_size, graph->ncc, &graph->subset_idxs));
1020   if (graph->multi_element) PetscCall(PetscMalloc1(graph->ncc, &graph->gsubset_size));
1021   else graph->gsubset_size = graph->subset_size;
1022   PetscCall(ISLocalToGlobalMappingApply(graph->l2gmap, graph->cptr[graph->ncc], graph->queue, queue_global));
1023 
1024   PetscHMapI cnt_unique;
1025 
1026   PetscCall(PetscHMapICreate(&cnt_unique));
1027   for (j = 0; j < graph->ncc; j++) {
1028     PetscInt c = 0, ref_node = PETSC_MAX_INT;
1029 
1030     for (k = graph->cptr[j]; k < graph->cptr[j + 1]; k++) {
1031       ref_node = PetscMin(ref_node, queue_global[k]);
1032       if (graph->multi_element) {
1033         PetscBool     missing;
1034         PetscHashIter iter;
1035 
1036         PetscCall(PetscHMapIPut(cnt_unique, queue_global[k], &iter, &missing));
1037         if (missing) c++;
1038       }
1039     }
1040     graph->gsubset_size[j]    = c;
1041     graph->subset_size[j]     = graph->cptr[j + 1] - graph->cptr[j];
1042     graph->subset_ref_node[j] = ref_node;
1043     if (graph->multi_element) PetscCall(PetscHMapIClear(cnt_unique));
1044   }
1045   PetscCall(PetscHMapIDestroy(&cnt_unique));
1046 
1047   /* save information on subsets (needed when analyzing the connected components) */
1048   if (graph->ncc) {
1049     PetscCall(PetscMalloc1(graph->cptr[graph->ncc], &graph->subset_idxs[0]));
1050     PetscCall(PetscArrayzero(graph->subset_idxs[0], graph->cptr[graph->ncc]));
1051     for (j = 1; j < graph->ncc; j++) { graph->subset_idxs[j] = graph->subset_idxs[j - 1] + graph->subset_size[j - 1]; }
1052     PetscCall(PetscArraycpy(graph->subset_idxs[0], graph->queue, graph->cptr[graph->ncc]));
1053   }
1054 
1055   /* check consistency and create SF to analyze components on the interface between subdomains */
1056   if (!graph->seq_graph) {
1057     PetscSF         msf;
1058     PetscLayout     map;
1059     const PetscInt *degree;
1060     PetscInt        nr, nmr, *rdata;
1061     PetscBool       valid = PETSC_TRUE;
1062     PetscInt        subset_N;
1063     IS              subset_n;
1064     const PetscInt *idxs;
1065 
1066     PetscCall(ISCreateGeneral(comm, graph->n_subsets, graph->subset_ref_node, PETSC_USE_POINTER, &subset));
1067     PetscCall(ISRenumber(subset, NULL, &subset_N, &subset_n));
1068     PetscCall(ISDestroy(&subset));
1069 
1070     PetscCall(PetscSFCreate(comm, &graph->interface_ref_sf));
1071     PetscCall(PetscLayoutCreateFromSizes(comm, PETSC_DECIDE, subset_N, 1, &map));
1072     PetscCall(ISGetIndices(subset_n, &idxs));
1073     PetscCall(PetscSFSetGraphLayout(graph->interface_ref_sf, map, graph->n_subsets, NULL, PETSC_OWN_POINTER, idxs));
1074     PetscCall(ISRestoreIndices(subset_n, &idxs));
1075     PetscCall(ISDestroy(&subset_n));
1076     PetscCall(PetscLayoutDestroy(&map));
1077 
1078     PetscCall(PetscSFComputeDegreeBegin(graph->interface_ref_sf, &degree));
1079     PetscCall(PetscSFComputeDegreeEnd(graph->interface_ref_sf, &degree));
1080     PetscCall(PetscSFGetMultiSF(graph->interface_ref_sf, &msf));
1081     PetscCall(PetscSFGetGraph(graph->interface_ref_sf, &nr, NULL, NULL, NULL));
1082     PetscCall(PetscSFGetGraph(msf, &nmr, NULL, NULL, NULL));
1083     PetscCall(PetscCalloc1(nmr, &rdata));
1084     PetscCall(PetscSFGatherBegin(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, rdata));
1085     PetscCall(PetscSFGatherEnd(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, rdata));
1086     for (PetscInt i = 0, c = 0; i < nr && valid; i++) {
1087       for (PetscInt j = 0; j < degree[i]; j++) {
1088         if (rdata[j + c] != rdata[c]) valid = PETSC_FALSE;
1089       }
1090       c += degree[i];
1091     }
1092     PetscCall(PetscFree(rdata));
1093     PetscCall(MPIU_Allreduce(MPI_IN_PLACE, &valid, 1, MPIU_BOOL, MPI_LAND, comm));
1094     PetscCheck(valid, comm, PETSC_ERR_PLIB, "Initial local subsets are not consistent");
1095 
1096     /* Now create SF with each root extended to gsubset_size roots */
1097     PetscInt           mss = 0;
1098     const PetscSFNode *subs_remote;
1099 
1100     PetscCall(PetscSFGetGraph(graph->interface_ref_sf, NULL, NULL, NULL, &subs_remote));
1101     for (PetscInt i = 0; i < graph->n_subsets; i++) mss = PetscMax(graph->subset_size[i], mss);
1102 
1103     PetscInt nri, nli, *start_rsize, *cum_rsize;
1104     PetscCall(PetscCalloc1(graph->n_subsets + 1, &start_rsize));
1105     PetscCall(PetscCalloc1(nr, &graph->interface_ref_rsize));
1106     PetscCall(PetscMalloc1(nr + 1, &cum_rsize));
1107     PetscCall(PetscSFReduceBegin(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, graph->interface_ref_rsize, MPI_REPLACE));
1108     PetscCall(PetscSFReduceEnd(graph->interface_ref_sf, MPIU_INT, graph->gsubset_size, graph->interface_ref_rsize, MPI_REPLACE));
1109 
1110     nri          = 0;
1111     cum_rsize[0] = 0;
1112     for (PetscInt i = 0; i < nr; i++) {
1113       nri += graph->interface_ref_rsize[i];
1114       cum_rsize[i + 1] = cum_rsize[i] + graph->interface_ref_rsize[i];
1115     }
1116     nli = graph->cptr[graph->ncc];
1117     PetscCall(PetscSFBcastBegin(graph->interface_ref_sf, MPIU_INT, cum_rsize, start_rsize, MPI_REPLACE));
1118     PetscCall(PetscSFBcastEnd(graph->interface_ref_sf, MPIU_INT, cum_rsize, start_rsize, MPI_REPLACE));
1119     PetscCall(PetscFree(cum_rsize));
1120 
1121     PetscInt    *ilocal, *queue_global_uniq;
1122     PetscSFNode *iremote;
1123     PetscBool   *touched;
1124 
1125     PetscCall(PetscSFCreate(comm, &graph->interface_subset_sf));
1126     PetscCall(PetscMalloc1(nli, &ilocal));
1127     PetscCall(PetscMalloc1(nli, &iremote));
1128     PetscCall(PetscMalloc2(mss, &queue_global_uniq, mss, &touched));
1129     for (PetscInt i = 0, nli = 0; i < graph->n_subsets; i++) {
1130       const PetscMPIInt rr                = subs_remote[i].rank;
1131       const PetscInt    start             = start_rsize[i];
1132       const PetscInt    subset_size       = graph->subset_size[i];
1133       const PetscInt    gsubset_size      = graph->gsubset_size[i];
1134       const PetscInt   *subset_idxs       = graph->subset_idxs[i];
1135       const PetscInt   *lsub_queue_global = queue_global + graph->cptr[i];
1136 
1137       k = subset_size;
1138       PetscCall(PetscArrayzero(touched, subset_size));
1139       PetscCall(PetscArraycpy(queue_global_uniq, lsub_queue_global, subset_size));
1140       PetscCall(PetscSortRemoveDupsInt(&k, queue_global_uniq));
1141       PetscCheck(k == gsubset_size, PETSC_COMM_SELF, PETSC_ERR_PLIB, "Invalid local subset %" PetscInt_FMT " size %" PetscInt_FMT " != %" PetscInt_FMT, i, k, gsubset_size);
1142 
1143       PetscInt t = 0, j = 0;
1144       while (t < subset_size) {
1145         while (j < subset_size && touched[j]) j++;
1146         PetscCheck(j < subset_size, PETSC_COMM_SELF, PETSC_ERR_PLIB, "Unexpected %" PetscInt_FMT " >= %" PetscInt_FMT, j, subset_size);
1147         const PetscInt ls = graph->nodes[subset_idxs[j]].local_sub;
1148 
1149         for (k = j; k < subset_size; k++) {
1150           if (graph->nodes[subset_idxs[k]].local_sub == ls) {
1151             PetscInt ig;
1152 
1153             PetscCall(PetscFindInt(lsub_queue_global[k], gsubset_size, queue_global_uniq, &ig));
1154             ilocal[nli]        = subset_idxs[k];
1155             iremote[nli].rank  = rr;
1156             iremote[nli].index = start + ig;
1157             touched[k]         = PETSC_TRUE;
1158             nli++;
1159             t++;
1160           }
1161         }
1162       }
1163     }
1164     PetscCheck(nli == graph->cptr[graph->ncc], PETSC_COMM_SELF, PETSC_ERR_PLIB, "Invalid ilocal size %" PetscInt_FMT " != %" PetscInt_FMT, nli, graph->cptr[graph->ncc]);
1165     PetscCall(PetscSFSetGraph(graph->interface_subset_sf, nri, nli, ilocal, PETSC_OWN_POINTER, iremote, PETSC_OWN_POINTER));
1166     PetscCall(PetscFree(start_rsize));
1167     PetscCall(PetscFree2(queue_global_uniq, touched));
1168   }
1169   PetscCall(PetscFree(queue_global));
1170 
1171   /* free workspace */
1172   graph->setupcalled = PETSC_TRUE;
1173   PetscFunctionReturn(PETSC_SUCCESS);
1174 }
1175 
1176 PetscErrorCode PCBDDCGraphResetCoords(PCBDDCGraph graph)
1177 {
1178   PetscFunctionBegin;
1179   if (!graph) PetscFunctionReturn(PETSC_SUCCESS);
1180   PetscCall(PetscFree(graph->coords));
1181   graph->cdim  = 0;
1182   graph->cnloc = 0;
1183   graph->cloc  = PETSC_FALSE;
1184   PetscFunctionReturn(PETSC_SUCCESS);
1185 }
1186 
1187 PetscErrorCode PCBDDCGraphResetCSR(PCBDDCGraph graph)
1188 {
1189   PetscFunctionBegin;
1190   if (!graph) PetscFunctionReturn(PETSC_SUCCESS);
1191   if (graph->freecsr) {
1192     PetscCall(PetscFree(graph->xadj));
1193     PetscCall(PetscFree(graph->adjncy));
1194   } else {
1195     graph->xadj   = NULL;
1196     graph->adjncy = NULL;
1197   }
1198   graph->freecsr   = PETSC_FALSE;
1199   graph->nvtxs_csr = 0;
1200   PetscFunctionReturn(PETSC_SUCCESS);
1201 }
1202 
1203 PetscErrorCode PCBDDCGraphReset(PCBDDCGraph graph)
1204 {
1205   PetscFunctionBegin;
1206   if (!graph) PetscFunctionReturn(PETSC_SUCCESS);
1207   PetscCall(ISLocalToGlobalMappingDestroy(&graph->l2gmap));
1208   PetscCall(PetscFree(graph->subset_ncc));
1209   PetscCall(PetscFree(graph->subset_ref_node));
1210   for (PetscInt i = 0; i < graph->nvtxs; i++) {
1211     PetscCall(PetscFree(graph->nodes[i].neighbours_set));
1212     PetscCall(PetscFree(graph->nodes[i].local_groups));
1213   }
1214   PetscCall(PetscFree(graph->nodes));
1215   PetscCall(PetscFree2(graph->cptr, graph->queue));
1216   if (graph->subset_idxs) PetscCall(PetscFree(graph->subset_idxs[0]));
1217   PetscCall(PetscFree2(graph->subset_size, graph->subset_idxs));
1218   if (graph->multi_element) PetscCall(PetscFree(graph->gsubset_size));
1219   PetscCall(PetscFree(graph->interface_ref_rsize));
1220   PetscCall(PetscSFDestroy(&graph->interface_subset_sf));
1221   PetscCall(PetscSFDestroy(&graph->interface_ref_sf));
1222   PetscCall(ISDestroy(&graph->dirdofs));
1223   PetscCall(ISDestroy(&graph->dirdofsB));
1224   if (graph->n_local_subs) PetscCall(PetscFree(graph->local_subs));
1225   graph->multi_element       = PETSC_FALSE;
1226   graph->has_dirichlet       = PETSC_FALSE;
1227   graph->twodimset           = PETSC_FALSE;
1228   graph->twodim              = PETSC_FALSE;
1229   graph->nvtxs               = 0;
1230   graph->nvtxs_global        = 0;
1231   graph->n_subsets           = 0;
1232   graph->custom_minimal_size = 1;
1233   graph->n_local_subs        = 0;
1234   graph->maxcount            = PETSC_MAX_INT;
1235   graph->seq_graph           = PETSC_FALSE;
1236   graph->setupcalled         = PETSC_FALSE;
1237   PetscFunctionReturn(PETSC_SUCCESS);
1238 }
1239 
1240 PetscErrorCode PCBDDCGraphInit(PCBDDCGraph graph, ISLocalToGlobalMapping l2gmap, PetscInt N, PetscInt maxcount)
1241 {
1242   PetscInt n;
1243 
1244   PetscFunctionBegin;
1245   PetscAssertPointer(graph, 1);
1246   PetscValidHeaderSpecific(l2gmap, IS_LTOGM_CLASSID, 2);
1247   PetscValidLogicalCollectiveInt(l2gmap, N, 3);
1248   PetscValidLogicalCollectiveInt(l2gmap, maxcount, 4);
1249   /* raise an error if already allocated */
1250   PetscCheck(!graph->nvtxs_global, PetscObjectComm((PetscObject)l2gmap), PETSC_ERR_PLIB, "BDDCGraph already initialized");
1251   /* set number of vertices */
1252   PetscCall(PetscObjectReference((PetscObject)l2gmap));
1253   graph->l2gmap = l2gmap;
1254   PetscCall(ISLocalToGlobalMappingGetSize(l2gmap, &n));
1255   graph->nvtxs        = n;
1256   graph->nvtxs_global = N;
1257   /* allocate used space */
1258   PetscCall(PetscCalloc1(graph->nvtxs, &graph->nodes));
1259   /* use -1 as a default value for which_dof array */
1260   for (n = 0; n < graph->nvtxs; n++) graph->nodes[n].which_dof = -1;
1261 
1262   /* zeroes workspace for values of ncc */
1263   graph->subset_ncc      = NULL;
1264   graph->subset_ref_node = NULL;
1265   /* maxcount for cc */
1266   graph->maxcount = maxcount;
1267   PetscFunctionReturn(PETSC_SUCCESS);
1268 }
1269 
1270 PetscErrorCode PCBDDCGraphDestroy(PCBDDCGraph *graph)
1271 {
1272   PetscFunctionBegin;
1273   PetscCall(PCBDDCGraphResetCSR(*graph));
1274   PetscCall(PCBDDCGraphResetCoords(*graph));
1275   PetscCall(PCBDDCGraphReset(*graph));
1276   PetscCall(PetscFree(*graph));
1277   PetscFunctionReturn(PETSC_SUCCESS);
1278 }
1279 
1280 PetscErrorCode PCBDDCGraphCreate(PCBDDCGraph *graph)
1281 {
1282   PCBDDCGraph new_graph;
1283 
1284   PetscFunctionBegin;
1285   PetscCall(PetscNew(&new_graph));
1286   new_graph->custom_minimal_size = 1;
1287   *graph                         = new_graph;
1288   PetscFunctionReturn(PETSC_SUCCESS);
1289 }
1290