xref: /petsc/src/tao/constrained/impls/ipm/pdipm.c (revision df4cd43f92eaa320656440c40edb1046daee8f75)
1 #include <../src/tao/constrained/impls/ipm/pdipm.h>
2 
3 /*
4    TaoPDIPMEvaluateFunctionsAndJacobians - Evaluate the objective function f, gradient fx, constraints, and all the Jacobians at current vector
5 
6    Collective
7 
8    Input Parameter:
9 +  tao - solver context
10 -  x - vector at which all objects to be evaluated
11 
12    Level: beginner
13 
14 .seealso: `TaoPDIPMUpdateConstraints()`, `TaoPDIPMSetUpBounds()`
15 */
16 static PetscErrorCode TaoPDIPMEvaluateFunctionsAndJacobians(Tao tao, Vec x)
17 {
18   TAO_PDIPM *pdipm = (TAO_PDIPM *)tao->data;
19 
20   PetscFunctionBegin;
21   /* Compute user objective function and gradient */
22   PetscCall(TaoComputeObjectiveAndGradient(tao, x, &pdipm->obj, tao->gradient));
23 
24   /* Equality constraints and Jacobian */
25   if (pdipm->Ng) {
26     PetscCall(TaoComputeEqualityConstraints(tao, x, tao->constraints_equality));
27     PetscCall(TaoComputeJacobianEquality(tao, x, tao->jacobian_equality, tao->jacobian_equality_pre));
28   }
29 
30   /* Inequality constraints and Jacobian */
31   if (pdipm->Nh) {
32     PetscCall(TaoComputeInequalityConstraints(tao, x, tao->constraints_inequality));
33     PetscCall(TaoComputeJacobianInequality(tao, x, tao->jacobian_inequality, tao->jacobian_inequality_pre));
34   }
35   PetscFunctionReturn(PETSC_SUCCESS);
36 }
37 
38 /*
39   TaoPDIPMUpdateConstraints - Update the vectors ce and ci at x
40 
41   Collective
42 
43   Input Parameter:
44 + tao - Tao context
45 - x - vector at which constraints to be evaluated
46 
47    Level: beginner
48 
49 .seealso: `TaoPDIPMEvaluateFunctionsAndJacobians()`
50 */
51 static PetscErrorCode TaoPDIPMUpdateConstraints(Tao tao, Vec x)
52 {
53   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
54   PetscInt           i, offset, offset1, k, xstart;
55   PetscScalar       *carr;
56   const PetscInt    *ubptr, *lbptr, *bxptr, *fxptr;
57   const PetscScalar *xarr, *xuarr, *xlarr, *garr, *harr;
58 
59   PetscFunctionBegin;
60   PetscCall(VecGetOwnershipRange(x, &xstart, NULL));
61 
62   PetscCall(VecGetArrayRead(x, &xarr));
63   PetscCall(VecGetArrayRead(tao->XU, &xuarr));
64   PetscCall(VecGetArrayRead(tao->XL, &xlarr));
65 
66   /* (1) Update ce vector */
67   PetscCall(VecGetArrayWrite(pdipm->ce, &carr));
68 
69   if (pdipm->Ng) {
70     /* (1.a) Inserting updated g(x) */
71     PetscCall(VecGetArrayRead(tao->constraints_equality, &garr));
72     PetscCall(PetscMemcpy(carr, garr, pdipm->ng * sizeof(PetscScalar)));
73     PetscCall(VecRestoreArrayRead(tao->constraints_equality, &garr));
74   }
75 
76   /* (1.b) Update xfixed */
77   if (pdipm->Nxfixed) {
78     offset = pdipm->ng;
79     PetscCall(ISGetIndices(pdipm->isxfixed, &fxptr)); /* global indices in x */
80     for (k = 0; k < pdipm->nxfixed; k++) {
81       i                = fxptr[k] - xstart;
82       carr[offset + k] = xarr[i] - xuarr[i];
83     }
84   }
85   PetscCall(VecRestoreArrayWrite(pdipm->ce, &carr));
86 
87   /* (2) Update ci vector */
88   PetscCall(VecGetArrayWrite(pdipm->ci, &carr));
89 
90   if (pdipm->Nh) {
91     /* (2.a) Inserting updated h(x) */
92     PetscCall(VecGetArrayRead(tao->constraints_inequality, &harr));
93     PetscCall(PetscMemcpy(carr, harr, pdipm->nh * sizeof(PetscScalar)));
94     PetscCall(VecRestoreArrayRead(tao->constraints_inequality, &harr));
95   }
96 
97   /* (2.b) Update xub */
98   offset = pdipm->nh;
99   if (pdipm->Nxub) {
100     PetscCall(ISGetIndices(pdipm->isxub, &ubptr));
101     for (k = 0; k < pdipm->nxub; k++) {
102       i                = ubptr[k] - xstart;
103       carr[offset + k] = xuarr[i] - xarr[i];
104     }
105   }
106 
107   if (pdipm->Nxlb) {
108     /* (2.c) Update xlb */
109     offset += pdipm->nxub;
110     PetscCall(ISGetIndices(pdipm->isxlb, &lbptr)); /* global indices in x */
111     for (k = 0; k < pdipm->nxlb; k++) {
112       i                = lbptr[k] - xstart;
113       carr[offset + k] = xarr[i] - xlarr[i];
114     }
115   }
116 
117   if (pdipm->Nxbox) {
118     /* (2.d) Update xbox */
119     offset += pdipm->nxlb;
120     offset1 = offset + pdipm->nxbox;
121     PetscCall(ISGetIndices(pdipm->isxbox, &bxptr)); /* global indices in x */
122     for (k = 0; k < pdipm->nxbox; k++) {
123       i                 = bxptr[k] - xstart; /* local indices in x */
124       carr[offset + k]  = xuarr[i] - xarr[i];
125       carr[offset1 + k] = xarr[i] - xlarr[i];
126     }
127   }
128   PetscCall(VecRestoreArrayWrite(pdipm->ci, &carr));
129 
130   /* Restoring Vectors */
131   PetscCall(VecRestoreArrayRead(x, &xarr));
132   PetscCall(VecRestoreArrayRead(tao->XU, &xuarr));
133   PetscCall(VecRestoreArrayRead(tao->XL, &xlarr));
134   PetscFunctionReturn(PETSC_SUCCESS);
135 }
136 
137 /*
138    TaoPDIPMSetUpBounds - Create upper and lower bound vectors of x
139 
140    Collective
141 
142    Input Parameter:
143 .  tao - holds pdipm and XL & XU
144 
145    Level: beginner
146 
147 .seealso: `TaoPDIPMUpdateConstraints`
148 */
149 static PetscErrorCode TaoPDIPMSetUpBounds(Tao tao)
150 {
151   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
152   const PetscScalar *xl, *xu;
153   PetscInt           n, *ixlb, *ixub, *ixfixed, *ixfree, *ixbox, i, low, high, idx;
154   MPI_Comm           comm;
155   PetscInt           sendbuf[5], recvbuf[5];
156 
157   PetscFunctionBegin;
158   /* Creates upper and lower bounds vectors on x, if not created already */
159   PetscCall(TaoComputeVariableBounds(tao));
160 
161   PetscCall(VecGetLocalSize(tao->XL, &n));
162   PetscCall(PetscMalloc5(n, &ixlb, n, &ixub, n, &ixfree, n, &ixfixed, n, &ixbox));
163 
164   PetscCall(VecGetOwnershipRange(tao->XL, &low, &high));
165   PetscCall(VecGetArrayRead(tao->XL, &xl));
166   PetscCall(VecGetArrayRead(tao->XU, &xu));
167   for (i = 0; i < n; i++) {
168     idx = low + i;
169     if ((PetscRealPart(xl[i]) > PETSC_NINFINITY) && (PetscRealPart(xu[i]) < PETSC_INFINITY)) {
170       if (PetscRealPart(xl[i]) == PetscRealPart(xu[i])) {
171         ixfixed[pdipm->nxfixed++] = idx;
172       } else ixbox[pdipm->nxbox++] = idx;
173     } else {
174       if ((PetscRealPart(xl[i]) > PETSC_NINFINITY) && (PetscRealPart(xu[i]) >= PETSC_INFINITY)) {
175         ixlb[pdipm->nxlb++] = idx;
176       } else if ((PetscRealPart(xl[i]) <= PETSC_NINFINITY) && (PetscRealPart(xu[i]) < PETSC_INFINITY)) {
177         ixub[pdipm->nxlb++] = idx;
178       } else ixfree[pdipm->nxfree++] = idx;
179     }
180   }
181   PetscCall(VecRestoreArrayRead(tao->XL, &xl));
182   PetscCall(VecRestoreArrayRead(tao->XU, &xu));
183 
184   PetscCall(PetscObjectGetComm((PetscObject)tao, &comm));
185   sendbuf[0] = pdipm->nxlb;
186   sendbuf[1] = pdipm->nxub;
187   sendbuf[2] = pdipm->nxfixed;
188   sendbuf[3] = pdipm->nxbox;
189   sendbuf[4] = pdipm->nxfree;
190 
191   PetscCallMPI(MPI_Allreduce(sendbuf, recvbuf, 5, MPIU_INT, MPI_SUM, comm));
192   pdipm->Nxlb    = recvbuf[0];
193   pdipm->Nxub    = recvbuf[1];
194   pdipm->Nxfixed = recvbuf[2];
195   pdipm->Nxbox   = recvbuf[3];
196   pdipm->Nxfree  = recvbuf[4];
197 
198   if (pdipm->Nxlb) PetscCall(ISCreateGeneral(comm, pdipm->nxlb, ixlb, PETSC_COPY_VALUES, &pdipm->isxlb));
199   if (pdipm->Nxub) PetscCall(ISCreateGeneral(comm, pdipm->nxub, ixub, PETSC_COPY_VALUES, &pdipm->isxub));
200   if (pdipm->Nxfixed) PetscCall(ISCreateGeneral(comm, pdipm->nxfixed, ixfixed, PETSC_COPY_VALUES, &pdipm->isxfixed));
201   if (pdipm->Nxbox) PetscCall(ISCreateGeneral(comm, pdipm->nxbox, ixbox, PETSC_COPY_VALUES, &pdipm->isxbox));
202   if (pdipm->Nxfree) PetscCall(ISCreateGeneral(comm, pdipm->nxfree, ixfree, PETSC_COPY_VALUES, &pdipm->isxfree));
203   PetscCall(PetscFree5(ixlb, ixub, ixfixed, ixbox, ixfree));
204   PetscFunctionReturn(PETSC_SUCCESS);
205 }
206 
207 /*
208    TaoPDIPMInitializeSolution - Initialize PDIPM solution X = [x; lambdae; lambdai; z].
209    X consists of four subvectors in the order [x; lambdae; lambdai; z]. These
210      four subvectors need to be initialized and its values copied over to X. Instead
211      of copying, we use VecPlace/ResetArray functions to share the memory locations for
212      X and the subvectors
213 
214    Collective
215 
216    Input Parameter:
217 .  tao - Tao context
218 
219    Level: beginner
220 */
221 static PetscErrorCode TaoPDIPMInitializeSolution(Tao tao)
222 {
223   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
224   PetscScalar       *Xarr, *z, *lambdai;
225   PetscInt           i;
226   const PetscScalar *xarr, *h;
227 
228   PetscFunctionBegin;
229   PetscCall(VecGetArrayWrite(pdipm->X, &Xarr));
230 
231   /* Set Initialize X.x = tao->solution */
232   PetscCall(VecGetArrayRead(tao->solution, &xarr));
233   PetscCall(PetscMemcpy(Xarr, xarr, pdipm->nx * sizeof(PetscScalar)));
234   PetscCall(VecRestoreArrayRead(tao->solution, &xarr));
235 
236   /* Initialize X.lambdae = 0.0 */
237   if (pdipm->lambdae) PetscCall(VecSet(pdipm->lambdae, 0.0));
238 
239   /* Initialize X.lambdai = push_init_lambdai, X.z = push_init_slack */
240   if (pdipm->Nci) {
241     PetscCall(VecSet(pdipm->lambdai, pdipm->push_init_lambdai));
242     PetscCall(VecSet(pdipm->z, pdipm->push_init_slack));
243 
244     /* Additional modification for X.lambdai and X.z */
245     PetscCall(VecGetArrayWrite(pdipm->lambdai, &lambdai));
246     PetscCall(VecGetArrayWrite(pdipm->z, &z));
247     if (pdipm->Nh) {
248       PetscCall(VecGetArrayRead(tao->constraints_inequality, &h));
249       for (i = 0; i < pdipm->nh; i++) {
250         if (h[i] < -pdipm->push_init_slack) z[i] = -h[i];
251         if (pdipm->mu / z[i] > pdipm->push_init_lambdai) lambdai[i] = pdipm->mu / z[i];
252       }
253       PetscCall(VecRestoreArrayRead(tao->constraints_inequality, &h));
254     }
255     PetscCall(VecRestoreArrayWrite(pdipm->lambdai, &lambdai));
256     PetscCall(VecRestoreArrayWrite(pdipm->z, &z));
257   }
258 
259   PetscCall(VecRestoreArrayWrite(pdipm->X, &Xarr));
260   PetscFunctionReturn(PETSC_SUCCESS);
261 }
262 
263 /*
264    TaoSNESJacobian_PDIPM - Evaluate the Hessian matrix at X
265 
266    Input Parameter:
267    snes - SNES context
268    X - KKT Vector
269    *ctx - pdipm context
270 
271    Output Parameter:
272    J - Hessian matrix
273    Jpre - Preconditioner
274 */
275 static PetscErrorCode TaoSNESJacobian_PDIPM(SNES snes, Vec X, Mat J, Mat Jpre, void *ctx)
276 {
277   Tao                tao   = (Tao)ctx;
278   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
279   PetscInt           i, row, cols[2], Jrstart, rjstart, nc, j;
280   const PetscInt    *aj, *ranges, *Jranges, *rranges, *cranges;
281   const PetscScalar *Xarr, *aa;
282   PetscScalar        vals[2];
283   PetscInt           proc, nx_all, *nce_all = pdipm->nce_all;
284   MPI_Comm           comm;
285   PetscMPIInt        rank, size;
286 
287   PetscFunctionBegin;
288   PetscCall(PetscObjectGetComm((PetscObject)snes, &comm));
289   PetscCallMPI(MPI_Comm_rank(comm, &rank));
290   PetscCallMPI(MPI_Comm_rank(comm, &size));
291 
292   PetscCall(MatGetOwnershipRanges(Jpre, &Jranges));
293   PetscCall(MatGetOwnershipRange(Jpre, &Jrstart, NULL));
294   PetscCall(MatGetOwnershipRangesColumn(tao->hessian, &rranges));
295   PetscCall(MatGetOwnershipRangesColumn(tao->hessian, &cranges));
296 
297   PetscCall(VecGetArrayRead(X, &Xarr));
298 
299   /* (1) insert Z and Ci to the 4th block of Jpre -- overwrite existing values */
300   if (pdipm->solve_symmetric_kkt) { /* 1 for eq 17 revised pdipm doc 0 for eq 18 (symmetric KKT) */
301     vals[0] = 1.0;
302     for (i = 0; i < pdipm->nci; i++) {
303       row     = Jrstart + pdipm->off_z + i;
304       cols[0] = Jrstart + pdipm->off_lambdai + i;
305       cols[1] = row;
306       vals[1] = Xarr[pdipm->off_lambdai + i] / Xarr[pdipm->off_z + i];
307       PetscCall(MatSetValues(Jpre, 1, &row, 2, cols, vals, INSERT_VALUES));
308     }
309   } else {
310     for (i = 0; i < pdipm->nci; i++) {
311       row     = Jrstart + pdipm->off_z + i;
312       cols[0] = Jrstart + pdipm->off_lambdai + i;
313       cols[1] = row;
314       vals[0] = Xarr[pdipm->off_z + i];
315       vals[1] = Xarr[pdipm->off_lambdai + i];
316       PetscCall(MatSetValues(Jpre, 1, &row, 2, cols, vals, INSERT_VALUES));
317     }
318   }
319 
320   /* (2) insert 2nd row block of Jpre: [ grad g, 0, 0, 0] */
321   if (pdipm->Ng) {
322     PetscCall(MatGetOwnershipRange(tao->jacobian_equality, &rjstart, NULL));
323     for (i = 0; i < pdipm->ng; i++) {
324       row = Jrstart + pdipm->off_lambdae + i;
325 
326       PetscCall(MatGetRow(tao->jacobian_equality, i + rjstart, &nc, &aj, &aa));
327       proc = 0;
328       for (j = 0; j < nc; j++) {
329         while (aj[j] >= cranges[proc + 1]) proc++;
330         cols[0] = aj[j] - cranges[proc] + Jranges[proc];
331         PetscCall(MatSetValue(Jpre, row, cols[0], aa[j], INSERT_VALUES));
332       }
333       PetscCall(MatRestoreRow(tao->jacobian_equality, i + rjstart, &nc, &aj, &aa));
334       if (pdipm->kkt_pd) {
335         /* add shift \delta_c */
336         PetscCall(MatSetValue(Jpre, row, row, -pdipm->deltac, INSERT_VALUES));
337       }
338     }
339   }
340 
341   /* (3) insert 3rd row block of Jpre: [ -grad h, 0, deltac, I] */
342   if (pdipm->Nh) {
343     PetscCall(MatGetOwnershipRange(tao->jacobian_inequality, &rjstart, NULL));
344     for (i = 0; i < pdipm->nh; i++) {
345       row = Jrstart + pdipm->off_lambdai + i;
346       PetscCall(MatGetRow(tao->jacobian_inequality, i + rjstart, &nc, &aj, &aa));
347       proc = 0;
348       for (j = 0; j < nc; j++) {
349         while (aj[j] >= cranges[proc + 1]) proc++;
350         cols[0] = aj[j] - cranges[proc] + Jranges[proc];
351         PetscCall(MatSetValue(Jpre, row, cols[0], -aa[j], INSERT_VALUES));
352       }
353       PetscCall(MatRestoreRow(tao->jacobian_inequality, i + rjstart, &nc, &aj, &aa));
354       if (pdipm->kkt_pd) {
355         /* add shift \delta_c */
356         PetscCall(MatSetValue(Jpre, row, row, -pdipm->deltac, INSERT_VALUES));
357       }
358     }
359   }
360 
361   /* (4) insert 1st row block of Jpre: [Wxx, grad g', -grad h', 0] */
362   if (pdipm->Ng) { /* grad g' */
363     PetscCall(MatTranspose(tao->jacobian_equality, MAT_REUSE_MATRIX, &pdipm->jac_equality_trans));
364   }
365   if (pdipm->Nh) { /* grad h' */
366     PetscCall(MatTranspose(tao->jacobian_inequality, MAT_REUSE_MATRIX, &pdipm->jac_inequality_trans));
367   }
368 
369   PetscCall(VecPlaceArray(pdipm->x, Xarr));
370   PetscCall(TaoComputeHessian(tao, pdipm->x, tao->hessian, tao->hessian_pre));
371   PetscCall(VecResetArray(pdipm->x));
372 
373   PetscCall(MatGetOwnershipRange(tao->hessian, &rjstart, NULL));
374   for (i = 0; i < pdipm->nx; i++) {
375     row = Jrstart + i;
376 
377     /* insert Wxx = fxx + ... -- provided by user */
378     PetscCall(MatGetRow(tao->hessian, i + rjstart, &nc, &aj, &aa));
379     proc = 0;
380     for (j = 0; j < nc; j++) {
381       while (aj[j] >= cranges[proc + 1]) proc++;
382       cols[0] = aj[j] - cranges[proc] + Jranges[proc];
383       if (row == cols[0] && pdipm->kkt_pd) {
384         /* add shift deltaw to Wxx component */
385         PetscCall(MatSetValue(Jpre, row, cols[0], aa[j] + pdipm->deltaw, INSERT_VALUES));
386       } else {
387         PetscCall(MatSetValue(Jpre, row, cols[0], aa[j], INSERT_VALUES));
388       }
389     }
390     PetscCall(MatRestoreRow(tao->hessian, i + rjstart, &nc, &aj, &aa));
391 
392     /* insert grad g' */
393     if (pdipm->ng) {
394       PetscCall(MatGetRow(pdipm->jac_equality_trans, i + rjstart, &nc, &aj, &aa));
395       PetscCall(MatGetOwnershipRanges(tao->jacobian_equality, &ranges));
396       proc = 0;
397       for (j = 0; j < nc; j++) {
398         /* find row ownership of */
399         while (aj[j] >= ranges[proc + 1]) proc++;
400         nx_all  = rranges[proc + 1] - rranges[proc];
401         cols[0] = aj[j] - ranges[proc] + Jranges[proc] + nx_all;
402         PetscCall(MatSetValue(Jpre, row, cols[0], aa[j], INSERT_VALUES));
403       }
404       PetscCall(MatRestoreRow(pdipm->jac_equality_trans, i + rjstart, &nc, &aj, &aa));
405     }
406 
407     /* insert -grad h' */
408     if (pdipm->nh) {
409       PetscCall(MatGetRow(pdipm->jac_inequality_trans, i + rjstart, &nc, &aj, &aa));
410       PetscCall(MatGetOwnershipRanges(tao->jacobian_inequality, &ranges));
411       proc = 0;
412       for (j = 0; j < nc; j++) {
413         /* find row ownership of */
414         while (aj[j] >= ranges[proc + 1]) proc++;
415         nx_all  = rranges[proc + 1] - rranges[proc];
416         cols[0] = aj[j] - ranges[proc] + Jranges[proc] + nx_all + nce_all[proc];
417         PetscCall(MatSetValue(Jpre, row, cols[0], -aa[j], INSERT_VALUES));
418       }
419       PetscCall(MatRestoreRow(pdipm->jac_inequality_trans, i + rjstart, &nc, &aj, &aa));
420     }
421   }
422   PetscCall(VecRestoreArrayRead(X, &Xarr));
423 
424   /* (6) assemble Jpre and J */
425   PetscCall(MatAssemblyBegin(Jpre, MAT_FINAL_ASSEMBLY));
426   PetscCall(MatAssemblyEnd(Jpre, MAT_FINAL_ASSEMBLY));
427 
428   if (J != Jpre) {
429     PetscCall(MatAssemblyBegin(J, MAT_FINAL_ASSEMBLY));
430     PetscCall(MatAssemblyEnd(J, MAT_FINAL_ASSEMBLY));
431   }
432   PetscFunctionReturn(PETSC_SUCCESS);
433 }
434 
435 /*
436    TaoSnesFunction_PDIPM - Evaluate KKT function at X
437 
438    Input Parameter:
439    snes - SNES context
440    X - KKT Vector
441    *ctx - pdipm
442 
443    Output Parameter:
444    F - Updated Lagrangian vector
445 */
446 static PetscErrorCode TaoSNESFunction_PDIPM(SNES snes, Vec X, Vec F, void *ctx)
447 {
448   Tao                tao   = (Tao)ctx;
449   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
450   PetscScalar       *Farr;
451   Vec                x, L1;
452   PetscInt           i;
453   const PetscScalar *Xarr, *carr, *zarr, *larr;
454 
455   PetscFunctionBegin;
456   PetscCall(VecSet(F, 0.0));
457 
458   PetscCall(VecGetArrayRead(X, &Xarr));
459   PetscCall(VecGetArrayWrite(F, &Farr));
460 
461   /* (0) Evaluate f, fx, gradG, gradH at X.x Note: pdipm->x is not changed below */
462   x = pdipm->x;
463   PetscCall(VecPlaceArray(x, Xarr));
464   PetscCall(TaoPDIPMEvaluateFunctionsAndJacobians(tao, x));
465 
466   /* Update ce, ci, and Jci at X.x */
467   PetscCall(TaoPDIPMUpdateConstraints(tao, x));
468   PetscCall(VecResetArray(x));
469 
470   /* (1) L1 = fx + (gradG'*DE + Jce_xfixed'*lambdae_xfixed) - (gradH'*DI + Jci_xb'*lambdai_xb) */
471   L1 = pdipm->x;
472   PetscCall(VecPlaceArray(L1, Farr)); /* L1 = 0.0 */
473   if (pdipm->Nci) {
474     if (pdipm->Nh) {
475       /* L1 += gradH'*DI. Note: tao->DI is not changed below */
476       PetscCall(VecPlaceArray(tao->DI, Xarr + pdipm->off_lambdai));
477       PetscCall(MatMultTransposeAdd(tao->jacobian_inequality, tao->DI, L1, L1));
478       PetscCall(VecResetArray(tao->DI));
479     }
480 
481     /* L1 += Jci_xb'*lambdai_xb */
482     PetscCall(VecPlaceArray(pdipm->lambdai_xb, Xarr + pdipm->off_lambdai + pdipm->nh));
483     PetscCall(MatMultTransposeAdd(pdipm->Jci_xb, pdipm->lambdai_xb, L1, L1));
484     PetscCall(VecResetArray(pdipm->lambdai_xb));
485 
486     /* L1 = - (gradH'*DI + Jci_xb'*lambdai_xb) */
487     PetscCall(VecScale(L1, -1.0));
488   }
489 
490   /* L1 += fx */
491   PetscCall(VecAXPY(L1, 1.0, tao->gradient));
492 
493   if (pdipm->Nce) {
494     if (pdipm->Ng) {
495       /* L1 += gradG'*DE. Note: tao->DE is not changed below */
496       PetscCall(VecPlaceArray(tao->DE, Xarr + pdipm->off_lambdae));
497       PetscCall(MatMultTransposeAdd(tao->jacobian_equality, tao->DE, L1, L1));
498       PetscCall(VecResetArray(tao->DE));
499     }
500     if (pdipm->Nxfixed) {
501       /* L1 += Jce_xfixed'*lambdae_xfixed */
502       PetscCall(VecPlaceArray(pdipm->lambdae_xfixed, Xarr + pdipm->off_lambdae + pdipm->ng));
503       PetscCall(MatMultTransposeAdd(pdipm->Jce_xfixed, pdipm->lambdae_xfixed, L1, L1));
504       PetscCall(VecResetArray(pdipm->lambdae_xfixed));
505     }
506   }
507   PetscCall(VecResetArray(L1));
508 
509   /* (2) L2 = ce(x) */
510   if (pdipm->Nce) {
511     PetscCall(VecGetArrayRead(pdipm->ce, &carr));
512     for (i = 0; i < pdipm->nce; i++) Farr[pdipm->off_lambdae + i] = carr[i];
513     PetscCall(VecRestoreArrayRead(pdipm->ce, &carr));
514   }
515 
516   if (pdipm->Nci) {
517     if (pdipm->solve_symmetric_kkt) {
518       /* (3) L3 = z - ci(x);
519          (4) L4 = Lambdai * e - mu/z *e  */
520       PetscCall(VecGetArrayRead(pdipm->ci, &carr));
521       larr = Xarr + pdipm->off_lambdai;
522       zarr = Xarr + pdipm->off_z;
523       for (i = 0; i < pdipm->nci; i++) {
524         Farr[pdipm->off_lambdai + i] = zarr[i] - carr[i];
525         Farr[pdipm->off_z + i]       = larr[i] - pdipm->mu / zarr[i];
526       }
527       PetscCall(VecRestoreArrayRead(pdipm->ci, &carr));
528     } else {
529       /* (3) L3 = z - ci(x);
530          (4) L4 = Z * Lambdai * e - mu * e  */
531       PetscCall(VecGetArrayRead(pdipm->ci, &carr));
532       larr = Xarr + pdipm->off_lambdai;
533       zarr = Xarr + pdipm->off_z;
534       for (i = 0; i < pdipm->nci; i++) {
535         Farr[pdipm->off_lambdai + i] = zarr[i] - carr[i];
536         Farr[pdipm->off_z + i]       = zarr[i] * larr[i] - pdipm->mu;
537       }
538       PetscCall(VecRestoreArrayRead(pdipm->ci, &carr));
539     }
540   }
541 
542   PetscCall(VecRestoreArrayRead(X, &Xarr));
543   PetscCall(VecRestoreArrayWrite(F, &Farr));
544   PetscFunctionReturn(PETSC_SUCCESS);
545 }
546 
547 /*
548   Evaluate F(X); then update update tao->gnorm0, tao->step = mu,
549   tao->residual = norm2(F_x,F_z) and tao->cnorm = norm2(F_ce,F_ci).
550 */
551 static PetscErrorCode TaoSNESFunction_PDIPM_residual(SNES snes, Vec X, Vec F, void *ctx)
552 {
553   Tao                tao   = (Tao)ctx;
554   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
555   PetscScalar       *Farr, *tmparr;
556   Vec                L1;
557   PetscInt           i;
558   PetscReal          res[2], cnorm[2];
559   const PetscScalar *Xarr = NULL;
560 
561   PetscFunctionBegin;
562   PetscCall(TaoSNESFunction_PDIPM(snes, X, F, (void *)tao));
563   PetscCall(VecGetArrayWrite(F, &Farr));
564   PetscCall(VecGetArrayRead(X, &Xarr));
565 
566   /* compute res[0] = norm2(F_x) */
567   L1 = pdipm->x;
568   PetscCall(VecPlaceArray(L1, Farr));
569   PetscCall(VecNorm(L1, NORM_2, &res[0]));
570   PetscCall(VecResetArray(L1));
571 
572   /* compute res[1] = norm2(F_z), cnorm[1] = norm2(F_ci) */
573   if (pdipm->z) {
574     if (pdipm->solve_symmetric_kkt) {
575       PetscCall(VecPlaceArray(pdipm->z, Farr + pdipm->off_z));
576       if (pdipm->Nci) {
577         PetscCall(VecGetArrayWrite(pdipm->z, &tmparr));
578         for (i = 0; i < pdipm->nci; i++) tmparr[i] *= Xarr[pdipm->off_z + i];
579         PetscCall(VecRestoreArrayWrite(pdipm->z, &tmparr));
580       }
581 
582       PetscCall(VecNorm(pdipm->z, NORM_2, &res[1]));
583 
584       if (pdipm->Nci) {
585         PetscCall(VecGetArrayWrite(pdipm->z, &tmparr));
586         for (i = 0; i < pdipm->nci; i++) tmparr[i] /= Xarr[pdipm->off_z + i];
587         PetscCall(VecRestoreArrayWrite(pdipm->z, &tmparr));
588       }
589       PetscCall(VecResetArray(pdipm->z));
590     } else { /* !solve_symmetric_kkt */
591       PetscCall(VecPlaceArray(pdipm->z, Farr + pdipm->off_z));
592       PetscCall(VecNorm(pdipm->z, NORM_2, &res[1]));
593       PetscCall(VecResetArray(pdipm->z));
594     }
595 
596     PetscCall(VecPlaceArray(pdipm->ci, Farr + pdipm->off_lambdai));
597     PetscCall(VecNorm(pdipm->ci, NORM_2, &cnorm[1]));
598     PetscCall(VecResetArray(pdipm->ci));
599   } else {
600     res[1]   = 0.0;
601     cnorm[1] = 0.0;
602   }
603 
604   /* compute cnorm[0] = norm2(F_ce) */
605   if (pdipm->Nce) {
606     PetscCall(VecPlaceArray(pdipm->ce, Farr + pdipm->off_lambdae));
607     PetscCall(VecNorm(pdipm->ce, NORM_2, &cnorm[0]));
608     PetscCall(VecResetArray(pdipm->ce));
609   } else cnorm[0] = 0.0;
610 
611   PetscCall(VecRestoreArrayWrite(F, &Farr));
612   PetscCall(VecRestoreArrayRead(X, &Xarr));
613 
614   tao->gnorm0   = tao->residual;
615   tao->residual = PetscSqrtReal(res[0] * res[0] + res[1] * res[1]);
616   tao->cnorm    = PetscSqrtReal(cnorm[0] * cnorm[0] + cnorm[1] * cnorm[1]);
617   tao->step     = pdipm->mu;
618   PetscFunctionReturn(PETSC_SUCCESS);
619 }
620 
621 /*
622   KKTAddShifts - Check the inertia of Cholesky factor of KKT matrix.
623   If it does not match the numbers of prime and dual variables, add shifts to the KKT matrix.
624 */
625 static PetscErrorCode KKTAddShifts(Tao tao, SNES snes, Vec X)
626 {
627   TAO_PDIPM *pdipm = (TAO_PDIPM *)tao->data;
628   KSP        ksp;
629   PC         pc;
630   Mat        Factor;
631   PetscBool  isCHOL;
632   PetscInt   nneg, nzero, npos;
633 
634   PetscFunctionBegin;
635   /* Get the inertia of Cholesky factor */
636   PetscCall(SNESGetKSP(snes, &ksp));
637   PetscCall(KSPGetPC(ksp, &pc));
638   PetscCall(PetscObjectTypeCompare((PetscObject)pc, PCCHOLESKY, &isCHOL));
639   if (!isCHOL) PetscFunctionReturn(PETSC_SUCCESS);
640 
641   PetscCall(PCFactorGetMatrix(pc, &Factor));
642   PetscCall(MatGetInertia(Factor, &nneg, &nzero, &npos));
643 
644   if (npos < pdipm->Nx + pdipm->Nci) {
645     pdipm->deltaw = PetscMax(pdipm->lastdeltaw / 3, 1.e-4 * PETSC_MACHINE_EPSILON);
646     PetscCall(PetscInfo(tao, "Test reduced deltaw=%g; previous MatInertia: nneg %" PetscInt_FMT ", nzero %" PetscInt_FMT ", npos %" PetscInt_FMT "(<%" PetscInt_FMT ")\n", (double)pdipm->deltaw, nneg, nzero, npos, pdipm->Nx + pdipm->Nci));
647     PetscCall(TaoSNESJacobian_PDIPM(snes, X, pdipm->K, pdipm->K, tao));
648     PetscCall(PCSetUp(pc));
649     PetscCall(MatGetInertia(Factor, &nneg, &nzero, &npos));
650 
651     if (npos < pdipm->Nx + pdipm->Nci) {
652       pdipm->deltaw = pdipm->lastdeltaw;                                           /* in case reduction update does not help, this prevents that step from impacting increasing update */
653       while (npos < pdipm->Nx + pdipm->Nci && pdipm->deltaw <= 1. / PETSC_SMALL) { /* increase deltaw */
654         PetscCall(PetscInfo(tao, "  deltaw=%g fails, MatInertia: nneg %" PetscInt_FMT ", nzero %" PetscInt_FMT ", npos %" PetscInt_FMT "(<%" PetscInt_FMT ")\n", (double)pdipm->deltaw, nneg, nzero, npos, pdipm->Nx + pdipm->Nci));
655         pdipm->deltaw = PetscMin(8 * pdipm->deltaw, PetscPowReal(10, 20));
656         PetscCall(TaoSNESJacobian_PDIPM(snes, X, pdipm->K, pdipm->K, tao));
657         PetscCall(PCSetUp(pc));
658         PetscCall(MatGetInertia(Factor, &nneg, &nzero, &npos));
659       }
660 
661       PetscCheck(pdipm->deltaw < 1. / PETSC_SMALL, PetscObjectComm((PetscObject)tao), PETSC_ERR_CONV_FAILED, "Reached maximum delta w will not converge, try different initial x0");
662 
663       PetscCall(PetscInfo(tao, "Updated deltaw %g\n", (double)pdipm->deltaw));
664       pdipm->lastdeltaw = pdipm->deltaw;
665       pdipm->deltaw     = 0.0;
666     }
667   }
668 
669   if (nzero) { /* Jacobian is singular */
670     if (pdipm->deltac == 0.0) {
671       pdipm->deltac = PETSC_SQRT_MACHINE_EPSILON;
672     } else {
673       pdipm->deltac = pdipm->deltac * PetscPowReal(pdipm->mu, .25);
674     }
675     PetscCall(PetscInfo(tao, "Updated deltac=%g, MatInertia: nneg %" PetscInt_FMT ", nzero %" PetscInt_FMT "(!=0), npos %" PetscInt_FMT "\n", (double)pdipm->deltac, nneg, nzero, npos));
676     PetscCall(TaoSNESJacobian_PDIPM(snes, X, pdipm->K, pdipm->K, tao));
677     PetscCall(PCSetUp(pc));
678     PetscCall(MatGetInertia(Factor, &nneg, &nzero, &npos));
679   }
680   PetscFunctionReturn(PETSC_SUCCESS);
681 }
682 
683 /*
684   PCPreSolve_PDIPM -- called between MatFactorNumeric() and MatSolve()
685 */
686 PetscErrorCode PCPreSolve_PDIPM(PC pc, KSP ksp)
687 {
688   Tao        tao;
689   TAO_PDIPM *pdipm;
690 
691   PetscFunctionBegin;
692   PetscCall(KSPGetApplicationContext(ksp, &tao));
693   pdipm = (TAO_PDIPM *)tao->data;
694   PetscCall(KKTAddShifts(tao, pdipm->snes, pdipm->X));
695   PetscFunctionReturn(PETSC_SUCCESS);
696 }
697 
698 /*
699    SNESLineSearch_PDIPM - Custom line search used with PDIPM.
700 
701    Collective
702 
703    Notes:
704    This routine employs a simple backtracking line-search to keep
705    the slack variables (z) and inequality constraints Lagrange multipliers
706    (lambdai) positive, i.e., z,lambdai >=0. It does this by calculating scalars
707    alpha_p and alpha_d to keep z,lambdai non-negative. The decision (x), and the
708    slack variables are updated as X = X - alpha_d*dx. The constraint multipliers
709    are updated as Lambdai = Lambdai + alpha_p*dLambdai. The barrier parameter mu
710    is also updated as mu = mu + z'lambdai/Nci
711 */
712 static PetscErrorCode SNESLineSearch_PDIPM(SNESLineSearch linesearch, void *ctx)
713 {
714   Tao                tao   = (Tao)ctx;
715   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
716   SNES               snes;
717   Vec                X, F, Y;
718   PetscInt           i, iter;
719   PetscReal          alpha_p = 1.0, alpha_d = 1.0, alpha[4];
720   PetscScalar       *Xarr, *z, *lambdai, dot, *taosolarr;
721   const PetscScalar *dXarr, *dz, *dlambdai;
722 
723   PetscFunctionBegin;
724   PetscCall(SNESLineSearchGetSNES(linesearch, &snes));
725   PetscCall(SNESGetIterationNumber(snes, &iter));
726 
727   PetscCall(SNESLineSearchSetReason(linesearch, SNES_LINESEARCH_SUCCEEDED));
728   PetscCall(SNESLineSearchGetVecs(linesearch, &X, &F, &Y, NULL, NULL));
729 
730   PetscCall(VecGetArrayWrite(X, &Xarr));
731   PetscCall(VecGetArrayRead(Y, &dXarr));
732   z  = Xarr + pdipm->off_z;
733   dz = dXarr + pdipm->off_z;
734   for (i = 0; i < pdipm->nci; i++) {
735     if (z[i] - dz[i] < 0.0) alpha_p = PetscMin(alpha_p, 0.9999 * z[i] / dz[i]);
736   }
737 
738   lambdai  = Xarr + pdipm->off_lambdai;
739   dlambdai = dXarr + pdipm->off_lambdai;
740 
741   for (i = 0; i < pdipm->nci; i++) {
742     if (lambdai[i] - dlambdai[i] < 0.0) alpha_d = PetscMin(0.9999 * lambdai[i] / dlambdai[i], alpha_d);
743   }
744 
745   alpha[0] = alpha_p;
746   alpha[1] = alpha_d;
747   PetscCall(VecRestoreArrayRead(Y, &dXarr));
748   PetscCall(VecRestoreArrayWrite(X, &Xarr));
749 
750   /* alpha = min(alpha) over all processes */
751   PetscCallMPI(MPI_Allreduce(alpha, alpha + 2, 2, MPIU_REAL, MPIU_MIN, PetscObjectComm((PetscObject)tao)));
752 
753   alpha_p = alpha[2];
754   alpha_d = alpha[3];
755 
756   /* X = X - alpha * Y */
757   PetscCall(VecGetArrayWrite(X, &Xarr));
758   PetscCall(VecGetArrayRead(Y, &dXarr));
759   for (i = 0; i < pdipm->nx; i++) Xarr[i] -= alpha_p * dXarr[i];
760   for (i = 0; i < pdipm->nce; i++) Xarr[i + pdipm->off_lambdae] -= alpha_d * dXarr[i + pdipm->off_lambdae];
761 
762   for (i = 0; i < pdipm->nci; i++) {
763     Xarr[i + pdipm->off_lambdai] -= alpha_d * dXarr[i + pdipm->off_lambdai];
764     Xarr[i + pdipm->off_z] -= alpha_p * dXarr[i + pdipm->off_z];
765   }
766   PetscCall(VecGetArrayWrite(tao->solution, &taosolarr));
767   PetscCall(PetscMemcpy(taosolarr, Xarr, pdipm->nx * sizeof(PetscScalar)));
768   PetscCall(VecRestoreArrayWrite(tao->solution, &taosolarr));
769 
770   PetscCall(VecRestoreArrayWrite(X, &Xarr));
771   PetscCall(VecRestoreArrayRead(Y, &dXarr));
772 
773   /* Update mu = mu_update_factor * dot(z,lambdai)/pdipm->nci at updated X */
774   if (pdipm->z) {
775     PetscCall(VecDot(pdipm->z, pdipm->lambdai, &dot));
776   } else dot = 0.0;
777 
778   /* if (PetscAbsReal(pdipm->gradL) < 0.9*pdipm->mu)  */
779   pdipm->mu = pdipm->mu_update_factor * dot / pdipm->Nci;
780 
781   /* Update F; get tao->residual and tao->cnorm */
782   PetscCall(TaoSNESFunction_PDIPM_residual(snes, X, F, (void *)tao));
783 
784   tao->niter++;
785   PetscCall(TaoLogConvergenceHistory(tao, pdipm->obj, tao->residual, tao->cnorm, tao->niter));
786   PetscCall(TaoMonitor(tao, tao->niter, pdipm->obj, tao->residual, tao->cnorm, pdipm->mu));
787 
788   PetscUseTypeMethod(tao, convergencetest, tao->cnvP);
789   if (tao->reason) PetscCall(SNESSetConvergedReason(snes, SNES_CONVERGED_FNORM_ABS));
790   PetscFunctionReturn(PETSC_SUCCESS);
791 }
792 
793 /*
794    TaoSolve_PDIPM
795 
796    Input Parameter:
797    tao - TAO context
798 
799    Output Parameter:
800    tao - TAO context
801 */
802 PetscErrorCode TaoSolve_PDIPM(Tao tao)
803 {
804   TAO_PDIPM     *pdipm = (TAO_PDIPM *)tao->data;
805   SNESLineSearch linesearch; /* SNESLineSearch context */
806   Vec            dummy;
807 
808   PetscFunctionBegin;
809   PetscCheck(tao->constraints_equality || tao->constraints_inequality, PetscObjectComm((PetscObject)tao), PETSC_ERR_ARG_NULL, "Equality and inequality constraints are not set. Either set them or switch to a different algorithm");
810 
811   /* Initialize all variables */
812   PetscCall(TaoPDIPMInitializeSolution(tao));
813 
814   /* Set linesearch */
815   PetscCall(SNESGetLineSearch(pdipm->snes, &linesearch));
816   PetscCall(SNESLineSearchSetType(linesearch, SNESLINESEARCHSHELL));
817   PetscCall(SNESLineSearchShellSetUserFunc(linesearch, SNESLineSearch_PDIPM, tao));
818   PetscCall(SNESLineSearchSetFromOptions(linesearch));
819 
820   tao->reason = TAO_CONTINUE_ITERATING;
821 
822   /* -tao_monitor for iteration 0 and check convergence */
823   PetscCall(VecDuplicate(pdipm->X, &dummy));
824   PetscCall(TaoSNESFunction_PDIPM_residual(pdipm->snes, pdipm->X, dummy, (void *)tao));
825 
826   PetscCall(TaoLogConvergenceHistory(tao, pdipm->obj, tao->residual, tao->cnorm, tao->niter));
827   PetscCall(TaoMonitor(tao, tao->niter, pdipm->obj, tao->residual, tao->cnorm, pdipm->mu));
828   PetscCall(VecDestroy(&dummy));
829   PetscUseTypeMethod(tao, convergencetest, tao->cnvP);
830   if (tao->reason) PetscCall(SNESSetConvergedReason(pdipm->snes, SNES_CONVERGED_FNORM_ABS));
831 
832   while (tao->reason == TAO_CONTINUE_ITERATING) {
833     SNESConvergedReason reason;
834     PetscCall(SNESSolve(pdipm->snes, NULL, pdipm->X));
835 
836     /* Check SNES convergence */
837     PetscCall(SNESGetConvergedReason(pdipm->snes, &reason));
838     if (reason < 0) PetscCall(PetscPrintf(PetscObjectComm((PetscObject)pdipm->snes), "SNES solve did not converged due to reason %s\n", SNESConvergedReasons[reason]));
839 
840     /* Check TAO convergence */
841     PetscCheck(!PetscIsInfOrNanReal(pdipm->obj), PETSC_COMM_SELF, PETSC_ERR_SUP, "User-provided compute function generated Inf or NaN");
842   }
843   PetscFunctionReturn(PETSC_SUCCESS);
844 }
845 
846 /*
847   TaoView_PDIPM - View PDIPM
848 
849    Input Parameter:
850     tao - TAO object
851     viewer - PetscViewer
852 
853    Output:
854 */
855 PetscErrorCode TaoView_PDIPM(Tao tao, PetscViewer viewer)
856 {
857   TAO_PDIPM *pdipm = (TAO_PDIPM *)tao->data;
858 
859   PetscFunctionBegin;
860   tao->constrained = PETSC_TRUE;
861   PetscCall(PetscViewerASCIIPushTab(viewer));
862   PetscCall(PetscViewerASCIIPrintf(viewer, "Number of prime=%" PetscInt_FMT ", Number of dual=%" PetscInt_FMT "\n", pdipm->Nx + pdipm->Nci, pdipm->Nce + pdipm->Nci));
863   if (pdipm->kkt_pd) PetscCall(PetscViewerASCIIPrintf(viewer, "KKT shifts deltaw=%g, deltac=%g\n", (double)pdipm->deltaw, (double)pdipm->deltac));
864   PetscCall(PetscViewerASCIIPopTab(viewer));
865   PetscFunctionReturn(PETSC_SUCCESS);
866 }
867 
868 /*
869    TaoSetup_PDIPM - Sets up tao and pdipm
870 
871    Input Parameter:
872    tao - TAO object
873 
874    Output:   pdipm - initialized object
875 */
876 PetscErrorCode TaoSetup_PDIPM(Tao tao)
877 {
878   TAO_PDIPM         *pdipm = (TAO_PDIPM *)tao->data;
879   MPI_Comm           comm;
880   PetscMPIInt        size;
881   PetscInt           row, col, Jcrstart, Jcrend, k, tmp, nc, proc, *nh_all, *ng_all;
882   PetscInt           offset, *xa, *xb, i, j, rstart, rend;
883   PetscScalar        one = 1.0, neg_one = -1.0;
884   const PetscInt    *cols, *rranges, *cranges, *aj, *ranges;
885   const PetscScalar *aa, *Xarr;
886   Mat                J;
887   Mat                Jce_xfixed_trans, Jci_xb_trans;
888   PetscInt          *dnz, *onz, rjstart, nx_all, *nce_all, *Jranges, cols1[2];
889 
890   PetscFunctionBegin;
891   PetscCall(PetscObjectGetComm((PetscObject)tao, &comm));
892   PetscCallMPI(MPI_Comm_size(comm, &size));
893 
894   /* (1) Setup Bounds and create Tao vectors */
895   PetscCall(TaoPDIPMSetUpBounds(tao));
896 
897   if (!tao->gradient) {
898     PetscCall(VecDuplicate(tao->solution, &tao->gradient));
899     PetscCall(VecDuplicate(tao->solution, &tao->stepdirection));
900   }
901 
902   /* (2) Get sizes */
903   /* Size of vector x - This is set by TaoSetSolution */
904   PetscCall(VecGetSize(tao->solution, &pdipm->Nx));
905   PetscCall(VecGetLocalSize(tao->solution, &pdipm->nx));
906 
907   /* Size of equality constraints and vectors */
908   if (tao->constraints_equality) {
909     PetscCall(VecGetSize(tao->constraints_equality, &pdipm->Ng));
910     PetscCall(VecGetLocalSize(tao->constraints_equality, &pdipm->ng));
911   } else {
912     pdipm->ng = pdipm->Ng = 0;
913   }
914 
915   pdipm->nce = pdipm->ng + pdipm->nxfixed;
916   pdipm->Nce = pdipm->Ng + pdipm->Nxfixed;
917 
918   /* Size of inequality constraints and vectors */
919   if (tao->constraints_inequality) {
920     PetscCall(VecGetSize(tao->constraints_inequality, &pdipm->Nh));
921     PetscCall(VecGetLocalSize(tao->constraints_inequality, &pdipm->nh));
922   } else {
923     pdipm->nh = pdipm->Nh = 0;
924   }
925 
926   pdipm->nci = pdipm->nh + pdipm->nxlb + pdipm->nxub + 2 * pdipm->nxbox;
927   pdipm->Nci = pdipm->Nh + pdipm->Nxlb + pdipm->Nxub + 2 * pdipm->Nxbox;
928 
929   /* Full size of the KKT system to be solved */
930   pdipm->n = pdipm->nx + pdipm->nce + 2 * pdipm->nci;
931   pdipm->N = pdipm->Nx + pdipm->Nce + 2 * pdipm->Nci;
932 
933   /* (3) Offsets for subvectors */
934   pdipm->off_lambdae = pdipm->nx;
935   pdipm->off_lambdai = pdipm->off_lambdae + pdipm->nce;
936   pdipm->off_z       = pdipm->off_lambdai + pdipm->nci;
937 
938   /* (4) Create vectors and subvectors */
939   /* Ce and Ci vectors */
940   PetscCall(VecCreate(comm, &pdipm->ce));
941   PetscCall(VecSetSizes(pdipm->ce, pdipm->nce, pdipm->Nce));
942   PetscCall(VecSetFromOptions(pdipm->ce));
943 
944   PetscCall(VecCreate(comm, &pdipm->ci));
945   PetscCall(VecSetSizes(pdipm->ci, pdipm->nci, pdipm->Nci));
946   PetscCall(VecSetFromOptions(pdipm->ci));
947 
948   /* X=[x; lambdae; lambdai; z] for the big KKT system */
949   PetscCall(VecCreate(comm, &pdipm->X));
950   PetscCall(VecSetSizes(pdipm->X, pdipm->n, pdipm->N));
951   PetscCall(VecSetFromOptions(pdipm->X));
952 
953   /* Subvectors; they share local arrays with X */
954   PetscCall(VecGetArrayRead(pdipm->X, &Xarr));
955   /* x shares local array with X.x */
956   if (pdipm->Nx) PetscCall(VecCreateMPIWithArray(comm, 1, pdipm->nx, pdipm->Nx, Xarr, &pdipm->x));
957 
958   /* lambdae shares local array with X.lambdae */
959   if (pdipm->Nce) PetscCall(VecCreateMPIWithArray(comm, 1, pdipm->nce, pdipm->Nce, Xarr + pdipm->off_lambdae, &pdipm->lambdae));
960 
961   /* tao->DE shares local array with X.lambdae_g */
962   if (pdipm->Ng) {
963     PetscCall(VecCreateMPIWithArray(comm, 1, pdipm->ng, pdipm->Ng, Xarr + pdipm->off_lambdae, &tao->DE));
964 
965     PetscCall(VecCreate(comm, &pdipm->lambdae_xfixed));
966     PetscCall(VecSetSizes(pdipm->lambdae_xfixed, pdipm->nxfixed, PETSC_DECIDE));
967     PetscCall(VecSetFromOptions(pdipm->lambdae_xfixed));
968   }
969 
970   if (pdipm->Nci) {
971     /* lambdai shares local array with X.lambdai */
972     PetscCall(VecCreateMPIWithArray(comm, 1, pdipm->nci, pdipm->Nci, Xarr + pdipm->off_lambdai, &pdipm->lambdai));
973 
974     /* z for slack variables; it shares local array with X.z */
975     PetscCall(VecCreateMPIWithArray(comm, 1, pdipm->nci, pdipm->Nci, Xarr + pdipm->off_z, &pdipm->z));
976   }
977 
978   /* tao->DI which shares local array with X.lambdai_h */
979   if (pdipm->Nh) PetscCall(VecCreateMPIWithArray(comm, 1, pdipm->nh, pdipm->Nh, Xarr + pdipm->off_lambdai, &tao->DI));
980   PetscCall(VecCreate(comm, &pdipm->lambdai_xb));
981   PetscCall(VecSetSizes(pdipm->lambdai_xb, (pdipm->nci - pdipm->nh), PETSC_DECIDE));
982   PetscCall(VecSetFromOptions(pdipm->lambdai_xb));
983 
984   PetscCall(VecRestoreArrayRead(pdipm->X, &Xarr));
985 
986   /* (5) Create Jacobians Jce_xfixed and Jci */
987   /* (5.1) PDIPM Jacobian of equality bounds cebound(x) = J_nxfixed */
988   if (pdipm->Nxfixed) {
989     /* Create Jce_xfixed */
990     PetscCall(MatCreate(comm, &pdipm->Jce_xfixed));
991     PetscCall(MatSetSizes(pdipm->Jce_xfixed, pdipm->nxfixed, pdipm->nx, PETSC_DECIDE, pdipm->Nx));
992     PetscCall(MatSetFromOptions(pdipm->Jce_xfixed));
993     PetscCall(MatSeqAIJSetPreallocation(pdipm->Jce_xfixed, 1, NULL));
994     PetscCall(MatMPIAIJSetPreallocation(pdipm->Jce_xfixed, 1, NULL, 1, NULL));
995 
996     PetscCall(MatGetOwnershipRange(pdipm->Jce_xfixed, &Jcrstart, &Jcrend));
997     PetscCall(ISGetIndices(pdipm->isxfixed, &cols));
998     k = 0;
999     for (row = Jcrstart; row < Jcrend; row++) {
1000       PetscCall(MatSetValues(pdipm->Jce_xfixed, 1, &row, 1, cols + k, &one, INSERT_VALUES));
1001       k++;
1002     }
1003     PetscCall(ISRestoreIndices(pdipm->isxfixed, &cols));
1004     PetscCall(MatAssemblyBegin(pdipm->Jce_xfixed, MAT_FINAL_ASSEMBLY));
1005     PetscCall(MatAssemblyEnd(pdipm->Jce_xfixed, MAT_FINAL_ASSEMBLY));
1006   }
1007 
1008   /* (5.2) PDIPM inequality Jacobian Jci = [tao->jacobian_inequality; ...] */
1009   PetscCall(MatCreate(comm, &pdipm->Jci_xb));
1010   PetscCall(MatSetSizes(pdipm->Jci_xb, pdipm->nci - pdipm->nh, pdipm->nx, PETSC_DECIDE, pdipm->Nx));
1011   PetscCall(MatSetFromOptions(pdipm->Jci_xb));
1012   PetscCall(MatSeqAIJSetPreallocation(pdipm->Jci_xb, 1, NULL));
1013   PetscCall(MatMPIAIJSetPreallocation(pdipm->Jci_xb, 1, NULL, 1, NULL));
1014 
1015   PetscCall(MatGetOwnershipRange(pdipm->Jci_xb, &Jcrstart, &Jcrend));
1016   offset = Jcrstart;
1017   if (pdipm->Nxub) {
1018     /* Add xub to Jci_xb */
1019     PetscCall(ISGetIndices(pdipm->isxub, &cols));
1020     k = 0;
1021     for (row = offset; row < offset + pdipm->nxub; row++) {
1022       PetscCall(MatSetValues(pdipm->Jci_xb, 1, &row, 1, cols + k, &neg_one, INSERT_VALUES));
1023       k++;
1024     }
1025     PetscCall(ISRestoreIndices(pdipm->isxub, &cols));
1026   }
1027 
1028   if (pdipm->Nxlb) {
1029     /* Add xlb to Jci_xb */
1030     PetscCall(ISGetIndices(pdipm->isxlb, &cols));
1031     k = 0;
1032     offset += pdipm->nxub;
1033     for (row = offset; row < offset + pdipm->nxlb; row++) {
1034       PetscCall(MatSetValues(pdipm->Jci_xb, 1, &row, 1, cols + k, &one, INSERT_VALUES));
1035       k++;
1036     }
1037     PetscCall(ISRestoreIndices(pdipm->isxlb, &cols));
1038   }
1039 
1040   /* Add xbox to Jci_xb */
1041   if (pdipm->Nxbox) {
1042     PetscCall(ISGetIndices(pdipm->isxbox, &cols));
1043     k = 0;
1044     offset += pdipm->nxlb;
1045     for (row = offset; row < offset + pdipm->nxbox; row++) {
1046       PetscCall(MatSetValues(pdipm->Jci_xb, 1, &row, 1, cols + k, &neg_one, INSERT_VALUES));
1047       tmp = row + pdipm->nxbox;
1048       PetscCall(MatSetValues(pdipm->Jci_xb, 1, &tmp, 1, cols + k, &one, INSERT_VALUES));
1049       k++;
1050     }
1051     PetscCall(ISRestoreIndices(pdipm->isxbox, &cols));
1052   }
1053 
1054   PetscCall(MatAssemblyBegin(pdipm->Jci_xb, MAT_FINAL_ASSEMBLY));
1055   PetscCall(MatAssemblyEnd(pdipm->Jci_xb, MAT_FINAL_ASSEMBLY));
1056   /* PetscCall(MatView(pdipm->Jci_xb,PETSC_VIEWER_STDOUT_WORLD)); */
1057 
1058   /* (6) Set up ISs for PC Fieldsplit */
1059   if (pdipm->solve_reduced_kkt) {
1060     PetscCall(PetscMalloc2(pdipm->nx + pdipm->nce, &xa, 2 * pdipm->nci, &xb));
1061     for (i = 0; i < pdipm->nx + pdipm->nce; i++) xa[i] = i;
1062     for (i = 0; i < 2 * pdipm->nci; i++) xb[i] = pdipm->off_lambdai + i;
1063 
1064     PetscCall(ISCreateGeneral(comm, pdipm->nx + pdipm->nce, xa, PETSC_OWN_POINTER, &pdipm->is1));
1065     PetscCall(ISCreateGeneral(comm, 2 * pdipm->nci, xb, PETSC_OWN_POINTER, &pdipm->is2));
1066   }
1067 
1068   /* (7) Gather offsets from all processes */
1069   PetscCall(PetscMalloc1(size, &pdipm->nce_all));
1070 
1071   /* Get rstart of KKT matrix */
1072   PetscCallMPI(MPI_Scan(&pdipm->n, &rstart, 1, MPIU_INT, MPI_SUM, comm));
1073   rstart -= pdipm->n;
1074 
1075   PetscCallMPI(MPI_Allgather(&pdipm->nce, 1, MPIU_INT, pdipm->nce_all, 1, MPIU_INT, comm));
1076 
1077   PetscCall(PetscMalloc3(size, &ng_all, size, &nh_all, size, &Jranges));
1078   PetscCallMPI(MPI_Allgather(&rstart, 1, MPIU_INT, Jranges, 1, MPIU_INT, comm));
1079   PetscCallMPI(MPI_Allgather(&pdipm->nh, 1, MPIU_INT, nh_all, 1, MPIU_INT, comm));
1080   PetscCallMPI(MPI_Allgather(&pdipm->ng, 1, MPIU_INT, ng_all, 1, MPIU_INT, comm));
1081 
1082   PetscCall(MatGetOwnershipRanges(tao->hessian, &rranges));
1083   PetscCall(MatGetOwnershipRangesColumn(tao->hessian, &cranges));
1084 
1085   if (pdipm->Ng) {
1086     PetscCall(TaoComputeJacobianEquality(tao, tao->solution, tao->jacobian_equality, tao->jacobian_equality_pre));
1087     PetscCall(MatTranspose(tao->jacobian_equality, MAT_INITIAL_MATRIX, &pdipm->jac_equality_trans));
1088   }
1089   if (pdipm->Nh) {
1090     PetscCall(TaoComputeJacobianInequality(tao, tao->solution, tao->jacobian_inequality, tao->jacobian_inequality_pre));
1091     PetscCall(MatTranspose(tao->jacobian_inequality, MAT_INITIAL_MATRIX, &pdipm->jac_inequality_trans));
1092   }
1093 
1094   /* Count dnz,onz for preallocation of KKT matrix */
1095   nce_all = pdipm->nce_all;
1096 
1097   if (pdipm->Nxfixed) PetscCall(MatTranspose(pdipm->Jce_xfixed, MAT_INITIAL_MATRIX, &Jce_xfixed_trans));
1098   PetscCall(MatTranspose(pdipm->Jci_xb, MAT_INITIAL_MATRIX, &Jci_xb_trans));
1099 
1100   MatPreallocateBegin(comm, pdipm->n, pdipm->n, dnz, onz);
1101 
1102   /* 1st row block of KKT matrix: [Wxx; gradCe'; -gradCi'; 0] */
1103   PetscCall(TaoPDIPMEvaluateFunctionsAndJacobians(tao, pdipm->x));
1104   PetscCall(TaoComputeHessian(tao, tao->solution, tao->hessian, tao->hessian_pre));
1105 
1106   /* Insert tao->hessian */
1107   PetscCall(MatGetOwnershipRange(tao->hessian, &rjstart, NULL));
1108   for (i = 0; i < pdipm->nx; i++) {
1109     row = rstart + i;
1110 
1111     PetscCall(MatGetRow(tao->hessian, i + rjstart, &nc, &aj, NULL));
1112     proc = 0;
1113     for (j = 0; j < nc; j++) {
1114       while (aj[j] >= cranges[proc + 1]) proc++;
1115       col = aj[j] - cranges[proc] + Jranges[proc];
1116       PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1117     }
1118     PetscCall(MatRestoreRow(tao->hessian, i + rjstart, &nc, &aj, NULL));
1119 
1120     if (pdipm->ng) {
1121       /* Insert grad g' */
1122       PetscCall(MatGetRow(pdipm->jac_equality_trans, i + rjstart, &nc, &aj, NULL));
1123       PetscCall(MatGetOwnershipRanges(tao->jacobian_equality, &ranges));
1124       proc = 0;
1125       for (j = 0; j < nc; j++) {
1126         /* find row ownership of */
1127         while (aj[j] >= ranges[proc + 1]) proc++;
1128         nx_all = rranges[proc + 1] - rranges[proc];
1129         col    = aj[j] - ranges[proc] + Jranges[proc] + nx_all;
1130         PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1131       }
1132       PetscCall(MatRestoreRow(pdipm->jac_equality_trans, i + rjstart, &nc, &aj, NULL));
1133     }
1134 
1135     /* Insert Jce_xfixed^T' */
1136     if (pdipm->nxfixed) {
1137       PetscCall(MatGetRow(Jce_xfixed_trans, i + rjstart, &nc, &aj, NULL));
1138       PetscCall(MatGetOwnershipRanges(pdipm->Jce_xfixed, &ranges));
1139       proc = 0;
1140       for (j = 0; j < nc; j++) {
1141         /* find row ownership of */
1142         while (aj[j] >= ranges[proc + 1]) proc++;
1143         nx_all = rranges[proc + 1] - rranges[proc];
1144         col    = aj[j] - ranges[proc] + Jranges[proc] + nx_all + ng_all[proc];
1145         PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1146       }
1147       PetscCall(MatRestoreRow(Jce_xfixed_trans, i + rjstart, &nc, &aj, NULL));
1148     }
1149 
1150     if (pdipm->nh) {
1151       /* Insert -grad h' */
1152       PetscCall(MatGetRow(pdipm->jac_inequality_trans, i + rjstart, &nc, &aj, NULL));
1153       PetscCall(MatGetOwnershipRanges(tao->jacobian_inequality, &ranges));
1154       proc = 0;
1155       for (j = 0; j < nc; j++) {
1156         /* find row ownership of */
1157         while (aj[j] >= ranges[proc + 1]) proc++;
1158         nx_all = rranges[proc + 1] - rranges[proc];
1159         col    = aj[j] - ranges[proc] + Jranges[proc] + nx_all + nce_all[proc];
1160         PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1161       }
1162       PetscCall(MatRestoreRow(pdipm->jac_inequality_trans, i + rjstart, &nc, &aj, NULL));
1163     }
1164 
1165     /* Insert Jci_xb^T' */
1166     PetscCall(MatGetRow(Jci_xb_trans, i + rjstart, &nc, &aj, NULL));
1167     PetscCall(MatGetOwnershipRanges(pdipm->Jci_xb, &ranges));
1168     proc = 0;
1169     for (j = 0; j < nc; j++) {
1170       /* find row ownership of */
1171       while (aj[j] >= ranges[proc + 1]) proc++;
1172       nx_all = rranges[proc + 1] - rranges[proc];
1173       col    = aj[j] - ranges[proc] + Jranges[proc] + nx_all + nce_all[proc] + nh_all[proc];
1174       PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1175     }
1176     PetscCall(MatRestoreRow(Jci_xb_trans, i + rjstart, &nc, &aj, NULL));
1177   }
1178 
1179   /* 2nd Row block of KKT matrix: [grad Ce, deltac*I, 0, 0] */
1180   if (pdipm->Ng) {
1181     PetscCall(MatGetOwnershipRange(tao->jacobian_equality, &rjstart, NULL));
1182     for (i = 0; i < pdipm->ng; i++) {
1183       row = rstart + pdipm->off_lambdae + i;
1184 
1185       PetscCall(MatGetRow(tao->jacobian_equality, i + rjstart, &nc, &aj, NULL));
1186       proc = 0;
1187       for (j = 0; j < nc; j++) {
1188         while (aj[j] >= cranges[proc + 1]) proc++;
1189         col = aj[j] - cranges[proc] + Jranges[proc];
1190         PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz)); /* grad g */
1191       }
1192       PetscCall(MatRestoreRow(tao->jacobian_equality, i + rjstart, &nc, &aj, NULL));
1193     }
1194   }
1195   /* Jce_xfixed */
1196   if (pdipm->Nxfixed) {
1197     PetscCall(MatGetOwnershipRange(pdipm->Jce_xfixed, &Jcrstart, NULL));
1198     for (i = 0; i < (pdipm->nce - pdipm->ng); i++) {
1199       row = rstart + pdipm->off_lambdae + pdipm->ng + i;
1200 
1201       PetscCall(MatGetRow(pdipm->Jce_xfixed, i + Jcrstart, &nc, &cols, NULL));
1202       PetscCheck(nc == 1, PETSC_COMM_SELF, PETSC_ERR_SUP, "nc != 1");
1203 
1204       proc = 0;
1205       j    = 0;
1206       while (cols[j] >= cranges[proc + 1]) proc++;
1207       col = cols[j] - cranges[proc] + Jranges[proc];
1208       PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1209       PetscCall(MatRestoreRow(pdipm->Jce_xfixed, i + Jcrstart, &nc, &cols, NULL));
1210     }
1211   }
1212 
1213   /* 3rd Row block of KKT matrix: [ gradCi, 0, deltac*I, -I] */
1214   if (pdipm->Nh) {
1215     PetscCall(MatGetOwnershipRange(tao->jacobian_inequality, &rjstart, NULL));
1216     for (i = 0; i < pdipm->nh; i++) {
1217       row = rstart + pdipm->off_lambdai + i;
1218 
1219       PetscCall(MatGetRow(tao->jacobian_inequality, i + rjstart, &nc, &aj, NULL));
1220       proc = 0;
1221       for (j = 0; j < nc; j++) {
1222         while (aj[j] >= cranges[proc + 1]) proc++;
1223         col = aj[j] - cranges[proc] + Jranges[proc];
1224         PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz)); /* grad h */
1225       }
1226       PetscCall(MatRestoreRow(tao->jacobian_inequality, i + rjstart, &nc, &aj, NULL));
1227     }
1228     /* I */
1229     for (i = 0; i < pdipm->nh; i++) {
1230       row = rstart + pdipm->off_lambdai + i;
1231       col = rstart + pdipm->off_z + i;
1232       PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1233     }
1234   }
1235 
1236   /* Jci_xb */
1237   PetscCall(MatGetOwnershipRange(pdipm->Jci_xb, &Jcrstart, NULL));
1238   for (i = 0; i < (pdipm->nci - pdipm->nh); i++) {
1239     row = rstart + pdipm->off_lambdai + pdipm->nh + i;
1240 
1241     PetscCall(MatGetRow(pdipm->Jci_xb, i + Jcrstart, &nc, &cols, NULL));
1242     PetscCheck(nc == 1, PETSC_COMM_SELF, PETSC_ERR_SUP, "nc != 1");
1243     proc = 0;
1244     for (j = 0; j < nc; j++) {
1245       while (cols[j] >= cranges[proc + 1]) proc++;
1246       col = cols[j] - cranges[proc] + Jranges[proc];
1247       PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1248     }
1249     PetscCall(MatRestoreRow(pdipm->Jci_xb, i + Jcrstart, &nc, &cols, NULL));
1250     /* I */
1251     col = rstart + pdipm->off_z + pdipm->nh + i;
1252     PetscCall(MatPreallocateSet(row, 1, &col, dnz, onz));
1253   }
1254 
1255   /* 4-th Row block of KKT matrix: Z and Ci */
1256   for (i = 0; i < pdipm->nci; i++) {
1257     row      = rstart + pdipm->off_z + i;
1258     cols1[0] = rstart + pdipm->off_lambdai + i;
1259     cols1[1] = row;
1260     PetscCall(MatPreallocateSet(row, 2, cols1, dnz, onz));
1261   }
1262 
1263   /* diagonal entry */
1264   for (i = 0; i < pdipm->n; i++) dnz[i]++; /* diagonal entry */
1265 
1266   /* Create KKT matrix */
1267   PetscCall(MatCreate(comm, &J));
1268   PetscCall(MatSetSizes(J, pdipm->n, pdipm->n, PETSC_DECIDE, PETSC_DECIDE));
1269   PetscCall(MatSetFromOptions(J));
1270   PetscCall(MatSeqAIJSetPreallocation(J, 0, dnz));
1271   PetscCall(MatMPIAIJSetPreallocation(J, 0, dnz, 0, onz));
1272   MatPreallocateEnd(dnz, onz);
1273   pdipm->K = J;
1274 
1275   /* (8) Insert constant entries to  K */
1276   /* Set 0.0 to diagonal of K, so that the solver does not complain *about missing diagonal value */
1277   PetscCall(MatGetOwnershipRange(J, &rstart, &rend));
1278   for (i = rstart; i < rend; i++) PetscCall(MatSetValue(J, i, i, 0.0, INSERT_VALUES));
1279   /* In case Wxx has no diagonal entries preset set diagonal to deltaw given */
1280   if (pdipm->kkt_pd) {
1281     for (i = 0; i < pdipm->nh; i++) {
1282       row = rstart + i;
1283       PetscCall(MatSetValue(J, row, row, pdipm->deltaw, INSERT_VALUES));
1284     }
1285   }
1286 
1287   /* Row block of K: [ grad Ce, 0, 0, 0] */
1288   if (pdipm->Nxfixed) {
1289     PetscCall(MatGetOwnershipRange(pdipm->Jce_xfixed, &Jcrstart, NULL));
1290     for (i = 0; i < (pdipm->nce - pdipm->ng); i++) {
1291       row = rstart + pdipm->off_lambdae + pdipm->ng + i;
1292 
1293       PetscCall(MatGetRow(pdipm->Jce_xfixed, i + Jcrstart, &nc, &cols, &aa));
1294       proc = 0;
1295       for (j = 0; j < nc; j++) {
1296         while (cols[j] >= cranges[proc + 1]) proc++;
1297         col = cols[j] - cranges[proc] + Jranges[proc];
1298         PetscCall(MatSetValue(J, row, col, aa[j], INSERT_VALUES)); /* grad Ce */
1299         PetscCall(MatSetValue(J, col, row, aa[j], INSERT_VALUES)); /* grad Ce' */
1300       }
1301       PetscCall(MatRestoreRow(pdipm->Jce_xfixed, i + Jcrstart, &nc, &cols, &aa));
1302     }
1303   }
1304 
1305   /* Row block of K: [ -grad Ci, 0, 0, I] */
1306   PetscCall(MatGetOwnershipRange(pdipm->Jci_xb, &Jcrstart, NULL));
1307   for (i = 0; i < pdipm->nci - pdipm->nh; i++) {
1308     row = rstart + pdipm->off_lambdai + pdipm->nh + i;
1309 
1310     PetscCall(MatGetRow(pdipm->Jci_xb, i + Jcrstart, &nc, &cols, &aa));
1311     proc = 0;
1312     for (j = 0; j < nc; j++) {
1313       while (cols[j] >= cranges[proc + 1]) proc++;
1314       col = cols[j] - cranges[proc] + Jranges[proc];
1315       PetscCall(MatSetValue(J, col, row, -aa[j], INSERT_VALUES));
1316       PetscCall(MatSetValue(J, row, col, -aa[j], INSERT_VALUES));
1317     }
1318     PetscCall(MatRestoreRow(pdipm->Jci_xb, i + Jcrstart, &nc, &cols, &aa));
1319 
1320     col = rstart + pdipm->off_z + pdipm->nh + i;
1321     PetscCall(MatSetValue(J, row, col, 1, INSERT_VALUES));
1322   }
1323 
1324   for (i = 0; i < pdipm->nh; i++) {
1325     row = rstart + pdipm->off_lambdai + i;
1326     col = rstart + pdipm->off_z + i;
1327     PetscCall(MatSetValue(J, row, col, 1, INSERT_VALUES));
1328   }
1329 
1330   /* Row block of K: [ 0, 0, I, ...] */
1331   for (i = 0; i < pdipm->nci; i++) {
1332     row = rstart + pdipm->off_z + i;
1333     col = rstart + pdipm->off_lambdai + i;
1334     PetscCall(MatSetValue(J, row, col, 1, INSERT_VALUES));
1335   }
1336 
1337   if (pdipm->Nxfixed) PetscCall(MatDestroy(&Jce_xfixed_trans));
1338   PetscCall(MatDestroy(&Jci_xb_trans));
1339   PetscCall(PetscFree3(ng_all, nh_all, Jranges));
1340 
1341   /* (9) Set up nonlinear solver SNES */
1342   PetscCall(SNESSetFunction(pdipm->snes, NULL, TaoSNESFunction_PDIPM, (void *)tao));
1343   PetscCall(SNESSetJacobian(pdipm->snes, J, J, TaoSNESJacobian_PDIPM, (void *)tao));
1344 
1345   if (pdipm->solve_reduced_kkt) {
1346     PC pc;
1347     PetscCall(KSPGetPC(tao->ksp, &pc));
1348     PetscCall(PCSetType(pc, PCFIELDSPLIT));
1349     PetscCall(PCFieldSplitSetType(pc, PC_COMPOSITE_SCHUR));
1350     PetscCall(PCFieldSplitSetIS(pc, "2", pdipm->is2));
1351     PetscCall(PCFieldSplitSetIS(pc, "1", pdipm->is1));
1352   }
1353   PetscCall(SNESSetFromOptions(pdipm->snes));
1354 
1355   /* (10) Setup PCPreSolve() for pdipm->solve_symmetric_kkt */
1356   if (pdipm->solve_symmetric_kkt) {
1357     KSP       ksp;
1358     PC        pc;
1359     PetscBool isCHOL;
1360     PetscCall(SNESGetKSP(pdipm->snes, &ksp));
1361     PetscCall(KSPGetPC(ksp, &pc));
1362     PetscCall(PCSetPreSolve(pc, PCPreSolve_PDIPM));
1363 
1364     PetscCall(PetscObjectTypeCompare((PetscObject)pc, PCCHOLESKY, &isCHOL));
1365     if (isCHOL) {
1366       Mat       Factor;
1367       PetscBool isMUMPS;
1368       PetscCall(PCFactorGetMatrix(pc, &Factor));
1369       PetscCall(PetscObjectTypeCompare((PetscObject)Factor, "mumps", &isMUMPS));
1370       if (isMUMPS) { /* must set mumps ICNTL(13)=1 and ICNTL(24)=1 to call MatGetInertia() */
1371 #if defined(PETSC_HAVE_MUMPS)
1372         PetscCall(MatMumpsSetIcntl(Factor, 24, 1)); /* detection of null pivot rows */
1373         if (size > 1) { PetscCall(MatMumpsSetIcntl(Factor, 13, 1)); /* parallelism of the root node (enable ScaLAPACK) and its splitting */ }
1374 #else
1375         SETERRQ(PetscObjectComm((PetscObject)tao), PETSC_ERR_SUP, "Requires external package MUMPS");
1376 #endif
1377       }
1378     }
1379   }
1380   PetscFunctionReturn(PETSC_SUCCESS);
1381 }
1382 
1383 /*
1384    TaoDestroy_PDIPM - Destroys the pdipm object
1385 
1386    Input:
1387    full pdipm
1388 
1389    Output:
1390    Destroyed pdipm
1391 */
1392 PetscErrorCode TaoDestroy_PDIPM(Tao tao)
1393 {
1394   TAO_PDIPM *pdipm = (TAO_PDIPM *)tao->data;
1395 
1396   PetscFunctionBegin;
1397   /* Freeing Vectors assocaiated with KKT (X) */
1398   PetscCall(VecDestroy(&pdipm->x));       /* Solution x */
1399   PetscCall(VecDestroy(&pdipm->lambdae)); /* Equality constraints lagrangian multiplier*/
1400   PetscCall(VecDestroy(&pdipm->lambdai)); /* Inequality constraints lagrangian multiplier*/
1401   PetscCall(VecDestroy(&pdipm->z));       /* Slack variables */
1402   PetscCall(VecDestroy(&pdipm->X));       /* Big KKT system vector [x; lambdae; lambdai; z] */
1403 
1404   /* work vectors */
1405   PetscCall(VecDestroy(&pdipm->lambdae_xfixed));
1406   PetscCall(VecDestroy(&pdipm->lambdai_xb));
1407 
1408   /* Legrangian equality and inequality Vec */
1409   PetscCall(VecDestroy(&pdipm->ce)); /* Vec of equality constraints */
1410   PetscCall(VecDestroy(&pdipm->ci)); /* Vec of inequality constraints */
1411 
1412   /* Matrices */
1413   PetscCall(MatDestroy(&pdipm->Jce_xfixed));
1414   PetscCall(MatDestroy(&pdipm->Jci_xb)); /* Jacobian of inequality constraints Jci = [tao->jacobian_inequality ; J(nxub); J(nxlb); J(nxbx)] */
1415   PetscCall(MatDestroy(&pdipm->K));
1416 
1417   /* Index Sets */
1418   if (pdipm->Nxub) { PetscCall(ISDestroy(&pdipm->isxub)); /* Finite upper bound only -inf < x < ub */ }
1419 
1420   if (pdipm->Nxlb) { PetscCall(ISDestroy(&pdipm->isxlb)); /* Finite lower bound only  lb <= x < inf */ }
1421 
1422   if (pdipm->Nxfixed) { PetscCall(ISDestroy(&pdipm->isxfixed)); /* Fixed variables         lb =  x = ub */ }
1423 
1424   if (pdipm->Nxbox) { PetscCall(ISDestroy(&pdipm->isxbox)); /* Boxed variables         lb <= x <= ub */ }
1425 
1426   if (pdipm->Nxfree) { PetscCall(ISDestroy(&pdipm->isxfree)); /* Free variables        -inf <= x <= inf */ }
1427 
1428   if (pdipm->solve_reduced_kkt) {
1429     PetscCall(ISDestroy(&pdipm->is1));
1430     PetscCall(ISDestroy(&pdipm->is2));
1431   }
1432 
1433   /* SNES */
1434   PetscCall(SNESDestroy(&pdipm->snes)); /* Nonlinear solver */
1435   PetscCall(PetscFree(pdipm->nce_all));
1436   PetscCall(MatDestroy(&pdipm->jac_equality_trans));
1437   PetscCall(MatDestroy(&pdipm->jac_inequality_trans));
1438 
1439   /* Destroy pdipm */
1440   PetscCall(PetscFree(tao->data)); /* Holding locations of pdipm */
1441 
1442   /* Destroy Dual */
1443   PetscCall(VecDestroy(&tao->DE)); /* equality dual */
1444   PetscCall(VecDestroy(&tao->DI)); /* dinequality dual */
1445   PetscFunctionReturn(PETSC_SUCCESS);
1446 }
1447 
1448 PetscErrorCode TaoSetFromOptions_PDIPM(Tao tao, PetscOptionItems *PetscOptionsObject)
1449 {
1450   TAO_PDIPM *pdipm = (TAO_PDIPM *)tao->data;
1451 
1452   PetscFunctionBegin;
1453   PetscOptionsHeadBegin(PetscOptionsObject, "PDIPM method for constrained optimization");
1454   PetscCall(PetscOptionsReal("-tao_pdipm_push_init_slack", "parameter to push initial slack variables away from bounds", NULL, pdipm->push_init_slack, &pdipm->push_init_slack, NULL));
1455   PetscCall(PetscOptionsReal("-tao_pdipm_push_init_lambdai", "parameter to push initial (inequality) dual variables away from bounds", NULL, pdipm->push_init_lambdai, &pdipm->push_init_lambdai, NULL));
1456   PetscCall(PetscOptionsBool("-tao_pdipm_solve_reduced_kkt", "Solve reduced KKT system using Schur-complement", NULL, pdipm->solve_reduced_kkt, &pdipm->solve_reduced_kkt, NULL));
1457   PetscCall(PetscOptionsReal("-tao_pdipm_mu_update_factor", "Update scalar for barrier parameter (mu) update", NULL, pdipm->mu_update_factor, &pdipm->mu_update_factor, NULL));
1458   PetscCall(PetscOptionsBool("-tao_pdipm_symmetric_kkt", "Solve non reduced symmetric KKT system", NULL, pdipm->solve_symmetric_kkt, &pdipm->solve_symmetric_kkt, NULL));
1459   PetscCall(PetscOptionsBool("-tao_pdipm_kkt_shift_pd", "Add shifts to make KKT matrix positive definite", NULL, pdipm->kkt_pd, &pdipm->kkt_pd, NULL));
1460   PetscOptionsHeadEnd();
1461   PetscFunctionReturn(PETSC_SUCCESS);
1462 }
1463 
1464 /*MC
1465   TAOPDIPM - Barrier-based primal-dual interior point algorithm for generally constrained optimization.
1466 
1467   Option Database Keys:
1468 +   -tao_pdipm_push_init_lambdai - parameter to push initial dual variables away from bounds (> 0)
1469 .   -tao_pdipm_push_init_slack - parameter to push initial slack variables away from bounds (> 0)
1470 .   -tao_pdipm_mu_update_factor - update scalar for barrier parameter (mu) update (> 0)
1471 .   -tao_pdipm_symmetric_kkt - Solve non-reduced symmetric KKT system
1472 -   -tao_pdipm_kkt_shift_pd - Add shifts to make KKT matrix positive definite
1473 
1474   Level: beginner
1475 M*/
1476 PETSC_EXTERN PetscErrorCode TaoCreate_PDIPM(Tao tao)
1477 {
1478   TAO_PDIPM *pdipm;
1479 
1480   PetscFunctionBegin;
1481   tao->ops->setup          = TaoSetup_PDIPM;
1482   tao->ops->solve          = TaoSolve_PDIPM;
1483   tao->ops->setfromoptions = TaoSetFromOptions_PDIPM;
1484   tao->ops->view           = TaoView_PDIPM;
1485   tao->ops->destroy        = TaoDestroy_PDIPM;
1486 
1487   PetscCall(PetscNew(&pdipm));
1488   tao->data = (void *)pdipm;
1489 
1490   pdipm->nx = pdipm->Nx = 0;
1491   pdipm->nxfixed = pdipm->Nxfixed = 0;
1492   pdipm->nxlb = pdipm->Nxlb = 0;
1493   pdipm->nxub = pdipm->Nxub = 0;
1494   pdipm->nxbox = pdipm->Nxbox = 0;
1495   pdipm->nxfree = pdipm->Nxfree = 0;
1496 
1497   pdipm->ng = pdipm->Ng = pdipm->nce = pdipm->Nce = 0;
1498   pdipm->nh = pdipm->Nh = pdipm->nci = pdipm->Nci = 0;
1499   pdipm->n = pdipm->N     = 0;
1500   pdipm->mu               = 1.0;
1501   pdipm->mu_update_factor = 0.1;
1502 
1503   pdipm->deltaw     = 0.0;
1504   pdipm->lastdeltaw = 3 * 1.e-4;
1505   pdipm->deltac     = 0.0;
1506   pdipm->kkt_pd     = PETSC_FALSE;
1507 
1508   pdipm->push_init_slack     = 1.0;
1509   pdipm->push_init_lambdai   = 1.0;
1510   pdipm->solve_reduced_kkt   = PETSC_FALSE;
1511   pdipm->solve_symmetric_kkt = PETSC_TRUE;
1512 
1513   /* Override default settings (unless already changed) */
1514   if (!tao->max_it_changed) tao->max_it = 200;
1515   if (!tao->max_funcs_changed) tao->max_funcs = 500;
1516 
1517   PetscCall(SNESCreate(((PetscObject)tao)->comm, &pdipm->snes));
1518   PetscCall(SNESSetOptionsPrefix(pdipm->snes, tao->hdr.prefix));
1519   PetscCall(SNESGetKSP(pdipm->snes, &tao->ksp));
1520   PetscCall(PetscObjectReference((PetscObject)tao->ksp));
1521   PetscCall(KSPSetApplicationContext(tao->ksp, (void *)tao));
1522   PetscFunctionReturn(PETSC_SUCCESS);
1523 }
1524