xref: /petsc/src/tao/constrained/impls/ipm/pdipm.c (revision ebead697dbf761eb322f829370bbe90b3bd93fa3)
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 on tao
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(0);
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(0);
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) {
199     PetscCall(ISCreateGeneral(comm,pdipm->nxlb,ixlb,PETSC_COPY_VALUES,&pdipm->isxlb));
200   }
201   if (pdipm->Nxub) {
202     PetscCall(ISCreateGeneral(comm,pdipm->nxub,ixub,PETSC_COPY_VALUES,&pdipm->isxub));
203   }
204   if (pdipm->Nxfixed) {
205     PetscCall(ISCreateGeneral(comm,pdipm->nxfixed,ixfixed,PETSC_COPY_VALUES,&pdipm->isxfixed));
206   }
207   if (pdipm->Nxbox) {
208     PetscCall(ISCreateGeneral(comm,pdipm->nxbox,ixbox,PETSC_COPY_VALUES,&pdipm->isxbox));
209   }
210   if (pdipm->Nxfree) {
211     PetscCall(ISCreateGeneral(comm,pdipm->nxfree,ixfree,PETSC_COPY_VALUES,&pdipm->isxfree));
212   }
213   PetscCall(PetscFree5(ixlb,ixub,ixfixed,ixbox,ixfree));
214   PetscFunctionReturn(0);
215 }
216 
217 /*
218    TaoPDIPMInitializeSolution - Initialize PDIPM solution X = [x; lambdae; lambdai; z].
219    X consists of four subvectors in the order [x; lambdae; lambdai; z]. These
220      four subvectors need to be initialized and its values copied over to X. Instead
221      of copying, we use VecPlace/ResetArray functions to share the memory locations for
222      X and the subvectors
223 
224    Collective
225 
226    Input Parameter:
227 .  tao - Tao context
228 
229    Level: beginner
230 */
231 static PetscErrorCode TaoPDIPMInitializeSolution(Tao tao)
232 {
233   TAO_PDIPM         *pdipm = (TAO_PDIPM*)tao->data;
234   PetscScalar       *Xarr,*z,*lambdai;
235   PetscInt          i;
236   const PetscScalar *xarr,*h;
237 
238   PetscFunctionBegin;
239   PetscCall(VecGetArrayWrite(pdipm->X,&Xarr));
240 
241   /* Set Initialize X.x = tao->solution */
242   PetscCall(VecGetArrayRead(tao->solution,&xarr));
243   PetscCall(PetscMemcpy(Xarr,xarr,pdipm->nx*sizeof(PetscScalar)));
244   PetscCall(VecRestoreArrayRead(tao->solution,&xarr));
245 
246   /* Initialize X.lambdae = 0.0 */
247   if (pdipm->lambdae) PetscCall(VecSet(pdipm->lambdae,0.0));
248 
249   /* Initialize X.lambdai = push_init_lambdai, X.z = push_init_slack */
250   if (pdipm->Nci) {
251     PetscCall(VecSet(pdipm->lambdai,pdipm->push_init_lambdai));
252     PetscCall(VecSet(pdipm->z,pdipm->push_init_slack));
253 
254     /* Additional modification for X.lambdai and X.z */
255     PetscCall(VecGetArrayWrite(pdipm->lambdai,&lambdai));
256     PetscCall(VecGetArrayWrite(pdipm->z,&z));
257     if (pdipm->Nh) {
258       PetscCall(VecGetArrayRead(tao->constraints_inequality,&h));
259       for (i=0; i < pdipm->nh; i++) {
260         if (h[i] < -pdipm->push_init_slack) z[i] = -h[i];
261         if (pdipm->mu/z[i] > pdipm->push_init_lambdai) lambdai[i] = pdipm->mu/z[i];
262       }
263       PetscCall(VecRestoreArrayRead(tao->constraints_inequality,&h));
264     }
265     PetscCall(VecRestoreArrayWrite(pdipm->lambdai,&lambdai));
266     PetscCall(VecRestoreArrayWrite(pdipm->z,&z));
267   }
268 
269   PetscCall(VecRestoreArrayWrite(pdipm->X,&Xarr));
270   PetscFunctionReturn(0);
271 }
272 
273 /*
274    TaoSNESJacobian_PDIPM - Evaluate the Hessian matrix at X
275 
276    Input Parameter:
277    snes - SNES context
278    X - KKT Vector
279    *ctx - pdipm context
280 
281    Output Parameter:
282    J - Hessian matrix
283    Jpre - Preconditioner
284 */
285 static PetscErrorCode TaoSNESJacobian_PDIPM(SNES snes,Vec X, Mat J, Mat Jpre, void *ctx)
286 {
287   Tao               tao=(Tao)ctx;
288   TAO_PDIPM         *pdipm = (TAO_PDIPM*)tao->data;
289   PetscInt          i,row,cols[2],Jrstart,rjstart,nc,j;
290   const PetscInt    *aj,*ranges,*Jranges,*rranges,*cranges;
291   const PetscScalar *Xarr,*aa;
292   PetscScalar       vals[2];
293   PetscInt          proc,nx_all,*nce_all=pdipm->nce_all;
294   MPI_Comm          comm;
295   PetscMPIInt       rank,size;
296 
297   PetscFunctionBegin;
298   PetscCall(PetscObjectGetComm((PetscObject)snes,&comm));
299   PetscCallMPI(MPI_Comm_rank(comm,&rank));
300   PetscCallMPI(MPI_Comm_rank(comm,&size));
301 
302   PetscCall(MatGetOwnershipRanges(Jpre,&Jranges));
303   PetscCall(MatGetOwnershipRange(Jpre,&Jrstart,NULL));
304   PetscCall(MatGetOwnershipRangesColumn(tao->hessian,&rranges));
305   PetscCall(MatGetOwnershipRangesColumn(tao->hessian,&cranges));
306 
307   PetscCall(VecGetArrayRead(X,&Xarr));
308 
309   /* (1) insert Z and Ci to the 4th block of Jpre -- overwrite existing values */
310   if (pdipm->solve_symmetric_kkt) { /* 1 for eq 17 revised pdipm doc 0 for eq 18 (symmetric KKT) */
311     vals[0] = 1.0;
312     for (i=0; i < pdipm->nci; i++) {
313         row     = Jrstart + pdipm->off_z + i;
314         cols[0] = Jrstart + pdipm->off_lambdai + i;
315         cols[1] = row;
316         vals[1] = Xarr[pdipm->off_lambdai + i]/Xarr[pdipm->off_z + i];
317         PetscCall(MatSetValues(Jpre,1,&row,2,cols,vals,INSERT_VALUES));
318     }
319   } else {
320     for (i=0; i < pdipm->nci; i++) {
321       row     = Jrstart + pdipm->off_z + i;
322       cols[0] = Jrstart + pdipm->off_lambdai + i;
323       cols[1] = row;
324       vals[0] = Xarr[pdipm->off_z + i];
325       vals[1] = Xarr[pdipm->off_lambdai + i];
326       PetscCall(MatSetValues(Jpre,1,&row,2,cols,vals,INSERT_VALUES));
327     }
328   }
329 
330   /* (2) insert 2nd row block of Jpre: [ grad g, 0, 0, 0] */
331   if (pdipm->Ng) {
332     PetscCall(MatGetOwnershipRange(tao->jacobian_equality,&rjstart,NULL));
333     for (i=0; i<pdipm->ng; i++) {
334       row = Jrstart + pdipm->off_lambdae + i;
335 
336       PetscCall(MatGetRow(tao->jacobian_equality,i+rjstart,&nc,&aj,&aa));
337       proc = 0;
338       for (j=0; j < nc; j++) {
339         while (aj[j] >= cranges[proc+1]) proc++;
340         cols[0] = aj[j] - cranges[proc] + Jranges[proc];
341         PetscCall(MatSetValue(Jpre,row,cols[0],aa[j],INSERT_VALUES));
342       }
343       PetscCall(MatRestoreRow(tao->jacobian_equality,i+rjstart,&nc,&aj,&aa));
344       if (pdipm->kkt_pd) {
345         /* add shift \delta_c */
346         PetscCall(MatSetValue(Jpre,row,row,-pdipm->deltac,INSERT_VALUES));
347       }
348     }
349   }
350 
351   /* (3) insert 3rd row block of Jpre: [ -grad h, 0, deltac, I] */
352   if (pdipm->Nh) {
353     PetscCall(MatGetOwnershipRange(tao->jacobian_inequality,&rjstart,NULL));
354     for (i=0; i < pdipm->nh; i++) {
355       row = Jrstart + pdipm->off_lambdai + i;
356       PetscCall(MatGetRow(tao->jacobian_inequality,i+rjstart,&nc,&aj,&aa));
357       proc = 0;
358       for (j=0; j < nc; j++) {
359         while (aj[j] >= cranges[proc+1]) proc++;
360         cols[0] = aj[j] - cranges[proc] + Jranges[proc];
361         PetscCall(MatSetValue(Jpre,row,cols[0],-aa[j],INSERT_VALUES));
362       }
363       PetscCall(MatRestoreRow(tao->jacobian_inequality,i+rjstart,&nc,&aj,&aa));
364       if (pdipm->kkt_pd) {
365         /* add shift \delta_c */
366         PetscCall(MatSetValue(Jpre,row,row,-pdipm->deltac,INSERT_VALUES));
367       }
368     }
369   }
370 
371   /* (4) insert 1st row block of Jpre: [Wxx, grad g', -grad h', 0] */
372   if (pdipm->Ng) { /* grad g' */
373     PetscCall(MatTranspose(tao->jacobian_equality,MAT_REUSE_MATRIX,&pdipm->jac_equality_trans));
374   }
375   if (pdipm->Nh) { /* grad h' */
376     PetscCall(MatTranspose(tao->jacobian_inequality,MAT_REUSE_MATRIX,&pdipm->jac_inequality_trans));
377   }
378 
379   PetscCall(VecPlaceArray(pdipm->x,Xarr));
380   PetscCall(TaoComputeHessian(tao,pdipm->x,tao->hessian,tao->hessian_pre));
381   PetscCall(VecResetArray(pdipm->x));
382 
383   PetscCall(MatGetOwnershipRange(tao->hessian,&rjstart,NULL));
384   for (i=0; i<pdipm->nx; i++) {
385     row = Jrstart + i;
386 
387     /* insert Wxx = fxx + ... -- provided by user */
388     PetscCall(MatGetRow(tao->hessian,i+rjstart,&nc,&aj,&aa));
389     proc = 0;
390     for (j=0; j < nc; j++) {
391       while (aj[j] >= cranges[proc+1]) proc++;
392       cols[0] = aj[j] - cranges[proc] + Jranges[proc];
393       if (row == cols[0] && pdipm->kkt_pd) {
394         /* add shift deltaw to Wxx component */
395         PetscCall(MatSetValue(Jpre,row,cols[0],aa[j]+pdipm->deltaw,INSERT_VALUES));
396       } else {
397         PetscCall(MatSetValue(Jpre,row,cols[0],aa[j],INSERT_VALUES));
398       }
399     }
400     PetscCall(MatRestoreRow(tao->hessian,i+rjstart,&nc,&aj,&aa));
401 
402     /* insert grad g' */
403     if (pdipm->ng) {
404       PetscCall(MatGetRow(pdipm->jac_equality_trans,i+rjstart,&nc,&aj,&aa));
405       PetscCall(MatGetOwnershipRanges(tao->jacobian_equality,&ranges));
406       proc = 0;
407       for (j=0; j < nc; j++) {
408         /* find row ownership of */
409         while (aj[j] >= ranges[proc+1]) proc++;
410         nx_all = rranges[proc+1] - rranges[proc];
411         cols[0] = aj[j] - ranges[proc] + Jranges[proc] + nx_all;
412         PetscCall(MatSetValue(Jpre,row,cols[0],aa[j],INSERT_VALUES));
413       }
414       PetscCall(MatRestoreRow(pdipm->jac_equality_trans,i+rjstart,&nc,&aj,&aa));
415     }
416 
417     /* insert -grad h' */
418     if (pdipm->nh) {
419       PetscCall(MatGetRow(pdipm->jac_inequality_trans,i+rjstart,&nc,&aj,&aa));
420       PetscCall(MatGetOwnershipRanges(tao->jacobian_inequality,&ranges));
421       proc = 0;
422       for (j=0; j < nc; j++) {
423         /* find row ownership of */
424         while (aj[j] >= ranges[proc+1]) proc++;
425         nx_all = rranges[proc+1] - rranges[proc];
426         cols[0] = aj[j] - ranges[proc] + Jranges[proc] + nx_all + nce_all[proc];
427         PetscCall(MatSetValue(Jpre,row,cols[0],-aa[j],INSERT_VALUES));
428       }
429       PetscCall(MatRestoreRow(pdipm->jac_inequality_trans,i+rjstart,&nc,&aj,&aa));
430     }
431   }
432   PetscCall(VecRestoreArrayRead(X,&Xarr));
433 
434   /* (6) assemble Jpre and J */
435   PetscCall(MatAssemblyBegin(Jpre,MAT_FINAL_ASSEMBLY));
436   PetscCall(MatAssemblyEnd(Jpre,MAT_FINAL_ASSEMBLY));
437 
438   if (J != Jpre) {
439     PetscCall(MatAssemblyBegin(J,MAT_FINAL_ASSEMBLY));
440     PetscCall(MatAssemblyEnd(J,MAT_FINAL_ASSEMBLY));
441   }
442   PetscFunctionReturn(0);
443 }
444 
445 /*
446    TaoSnesFunction_PDIPM - Evaluate KKT function at X
447 
448    Input Parameter:
449    snes - SNES context
450    X - KKT Vector
451    *ctx - pdipm
452 
453    Output Parameter:
454    F - Updated Lagrangian vector
455 */
456 static PetscErrorCode TaoSNESFunction_PDIPM(SNES snes,Vec X,Vec F,void *ctx)
457 {
458   Tao               tao=(Tao)ctx;
459   TAO_PDIPM         *pdipm = (TAO_PDIPM*)tao->data;
460   PetscScalar       *Farr;
461   Vec               x,L1;
462   PetscInt          i;
463   const PetscScalar *Xarr,*carr,*zarr,*larr;
464 
465   PetscFunctionBegin;
466   PetscCall(VecSet(F,0.0));
467 
468   PetscCall(VecGetArrayRead(X,&Xarr));
469   PetscCall(VecGetArrayWrite(F,&Farr));
470 
471   /* (0) Evaluate f, fx, gradG, gradH at X.x Note: pdipm->x is not changed below */
472   x = pdipm->x;
473   PetscCall(VecPlaceArray(x,Xarr));
474   PetscCall(TaoPDIPMEvaluateFunctionsAndJacobians(tao,x));
475 
476   /* Update ce, ci, and Jci at X.x */
477   PetscCall(TaoPDIPMUpdateConstraints(tao,x));
478   PetscCall(VecResetArray(x));
479 
480   /* (1) L1 = fx + (gradG'*DE + Jce_xfixed'*lambdae_xfixed) - (gradH'*DI + Jci_xb'*lambdai_xb) */
481   L1 = pdipm->x;
482   PetscCall(VecPlaceArray(L1,Farr)); /* L1 = 0.0 */
483   if (pdipm->Nci) {
484     if (pdipm->Nh) {
485       /* L1 += gradH'*DI. Note: tao->DI is not changed below */
486       PetscCall(VecPlaceArray(tao->DI,Xarr+pdipm->off_lambdai));
487       PetscCall(MatMultTransposeAdd(tao->jacobian_inequality,tao->DI,L1,L1));
488       PetscCall(VecResetArray(tao->DI));
489     }
490 
491     /* L1 += Jci_xb'*lambdai_xb */
492     PetscCall(VecPlaceArray(pdipm->lambdai_xb,Xarr+pdipm->off_lambdai+pdipm->nh));
493     PetscCall(MatMultTransposeAdd(pdipm->Jci_xb,pdipm->lambdai_xb,L1,L1));
494     PetscCall(VecResetArray(pdipm->lambdai_xb));
495 
496     /* L1 = - (gradH'*DI + Jci_xb'*lambdai_xb) */
497     PetscCall(VecScale(L1,-1.0));
498   }
499 
500   /* L1 += fx */
501   PetscCall(VecAXPY(L1,1.0,tao->gradient));
502 
503   if (pdipm->Nce) {
504     if (pdipm->Ng) {
505       /* L1 += gradG'*DE. Note: tao->DE is not changed below */
506       PetscCall(VecPlaceArray(tao->DE,Xarr+pdipm->off_lambdae));
507       PetscCall(MatMultTransposeAdd(tao->jacobian_equality,tao->DE,L1,L1));
508       PetscCall(VecResetArray(tao->DE));
509     }
510     if (pdipm->Nxfixed) {
511       /* L1 += Jce_xfixed'*lambdae_xfixed */
512       PetscCall(VecPlaceArray(pdipm->lambdae_xfixed,Xarr+pdipm->off_lambdae+pdipm->ng));
513       PetscCall(MatMultTransposeAdd(pdipm->Jce_xfixed,pdipm->lambdae_xfixed,L1,L1));
514       PetscCall(VecResetArray(pdipm->lambdae_xfixed));
515     }
516   }
517   PetscCall(VecResetArray(L1));
518 
519   /* (2) L2 = ce(x) */
520   if (pdipm->Nce) {
521     PetscCall(VecGetArrayRead(pdipm->ce,&carr));
522     for (i=0; i<pdipm->nce; i++) Farr[pdipm->off_lambdae + i] = carr[i];
523     PetscCall(VecRestoreArrayRead(pdipm->ce,&carr));
524   }
525 
526   if (pdipm->Nci) {
527     if (pdipm->solve_symmetric_kkt) {
528       /* (3) L3 = z - ci(x);
529          (4) L4 = Lambdai * e - mu/z *e  */
530       PetscCall(VecGetArrayRead(pdipm->ci,&carr));
531       larr = Xarr+pdipm->off_lambdai;
532       zarr = Xarr+pdipm->off_z;
533       for (i=0; i<pdipm->nci; i++) {
534         Farr[pdipm->off_lambdai + i] = zarr[i] - carr[i];
535         Farr[pdipm->off_z       + i] = larr[i] - pdipm->mu/zarr[i];
536       }
537       PetscCall(VecRestoreArrayRead(pdipm->ci,&carr));
538     } else {
539       /* (3) L3 = z - ci(x);
540          (4) L4 = Z * Lambdai * e - mu * e  */
541       PetscCall(VecGetArrayRead(pdipm->ci,&carr));
542       larr = Xarr+pdipm->off_lambdai;
543       zarr = Xarr+pdipm->off_z;
544       for (i=0; i<pdipm->nci; i++) {
545         Farr[pdipm->off_lambdai + i] = zarr[i] - carr[i];
546         Farr[pdipm->off_z       + i] = zarr[i]*larr[i] - pdipm->mu;
547       }
548       PetscCall(VecRestoreArrayRead(pdipm->ci,&carr));
549     }
550   }
551 
552   PetscCall(VecRestoreArrayRead(X,&Xarr));
553   PetscCall(VecRestoreArrayWrite(F,&Farr));
554   PetscFunctionReturn(0);
555 }
556 
557 /*
558   Evaluate F(X); then update update tao->gnorm0, tao->step = mu,
559   tao->residual = norm2(F_x,F_z) and tao->cnorm = norm2(F_ce,F_ci).
560 */
561 static PetscErrorCode TaoSNESFunction_PDIPM_residual(SNES snes,Vec X,Vec F,void *ctx)
562 {
563   Tao               tao=(Tao)ctx;
564   TAO_PDIPM         *pdipm = (TAO_PDIPM*)tao->data;
565   PetscScalar       *Farr,*tmparr;
566   Vec               L1;
567   PetscInt          i;
568   PetscReal         res[2],cnorm[2];
569   const PetscScalar *Xarr=NULL;
570 
571   PetscFunctionBegin;
572   PetscCall(TaoSNESFunction_PDIPM(snes,X,F,(void*)tao));
573   PetscCall(VecGetArrayWrite(F,&Farr));
574   PetscCall(VecGetArrayRead(X,&Xarr));
575 
576   /* compute res[0] = norm2(F_x) */
577   L1 = pdipm->x;
578   PetscCall(VecPlaceArray(L1,Farr));
579   PetscCall(VecNorm(L1,NORM_2,&res[0]));
580   PetscCall(VecResetArray(L1));
581 
582   /* compute res[1] = norm2(F_z), cnorm[1] = norm2(F_ci) */
583   if (pdipm->z) {
584     if (pdipm->solve_symmetric_kkt) {
585       PetscCall(VecPlaceArray(pdipm->z,Farr+pdipm->off_z));
586       if (pdipm->Nci) {
587         PetscCall(VecGetArrayWrite(pdipm->z,&tmparr));
588         for (i=0; i<pdipm->nci; i++) tmparr[i] *= Xarr[pdipm->off_z + i];
589         PetscCall(VecRestoreArrayWrite(pdipm->z,&tmparr));
590       }
591 
592       PetscCall(VecNorm(pdipm->z,NORM_2,&res[1]));
593 
594       if (pdipm->Nci) {
595         PetscCall(VecGetArrayWrite(pdipm->z,&tmparr));
596         for (i=0; i<pdipm->nci; i++) {
597           tmparr[i] /= Xarr[pdipm->off_z + i];
598         }
599         PetscCall(VecRestoreArrayWrite(pdipm->z,&tmparr));
600       }
601       PetscCall(VecResetArray(pdipm->z));
602     } else { /* !solve_symmetric_kkt */
603       PetscCall(VecPlaceArray(pdipm->z,Farr+pdipm->off_z));
604       PetscCall(VecNorm(pdipm->z,NORM_2,&res[1]));
605       PetscCall(VecResetArray(pdipm->z));
606     }
607 
608     PetscCall(VecPlaceArray(pdipm->ci,Farr+pdipm->off_lambdai));
609     PetscCall(VecNorm(pdipm->ci,NORM_2,&cnorm[1]));
610     PetscCall(VecResetArray(pdipm->ci));
611   } else {
612     res[1] = 0.0; cnorm[1] = 0.0;
613   }
614 
615   /* compute cnorm[0] = norm2(F_ce) */
616   if (pdipm->Nce) {
617     PetscCall(VecPlaceArray(pdipm->ce,Farr+pdipm->off_lambdae));
618     PetscCall(VecNorm(pdipm->ce,NORM_2,&cnorm[0]));
619     PetscCall(VecResetArray(pdipm->ce));
620   } else cnorm[0] = 0.0;
621 
622   PetscCall(VecRestoreArrayWrite(F,&Farr));
623   PetscCall(VecRestoreArrayRead(X,&Xarr));
624 
625   tao->gnorm0   = tao->residual;
626   tao->residual = PetscSqrtReal(res[0]*res[0] + res[1]*res[1]);
627   tao->cnorm    = PetscSqrtReal(cnorm[0]*cnorm[0] + cnorm[1]*cnorm[1]);
628   tao->step     = pdipm->mu;
629   PetscFunctionReturn(0);
630 }
631 
632 /*
633   KKTAddShifts - Check the inertia of Cholesky factor of KKT matrix.
634   If it does not match the numbers of prime and dual variables, add shifts to the KKT matrix.
635 */
636 static PetscErrorCode KKTAddShifts(Tao tao,SNES snes,Vec X)
637 {
638   TAO_PDIPM      *pdipm = (TAO_PDIPM*)tao->data;
639   KSP            ksp;
640   PC             pc;
641   Mat            Factor;
642   PetscBool      isCHOL;
643   PetscInt       nneg,nzero,npos;
644 
645   PetscFunctionBegin;
646   /* Get the inertia of Cholesky factor */
647   PetscCall(SNESGetKSP(snes,&ksp));
648   PetscCall(KSPGetPC(ksp,&pc));
649   PetscCall(PetscObjectTypeCompare((PetscObject)pc,PCCHOLESKY,&isCHOL));
650   if (!isCHOL) PetscFunctionReturn(0);
651 
652   PetscCall(PCFactorGetMatrix(pc,&Factor));
653   PetscCall(MatGetInertia(Factor,&nneg,&nzero,&npos));
654 
655   if (npos < pdipm->Nx+pdipm->Nci) {
656     pdipm->deltaw = PetscMax(pdipm->lastdeltaw/3, 1.e-4*PETSC_MACHINE_EPSILON);
657     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));
658     PetscCall(TaoSNESJacobian_PDIPM(snes,X, pdipm->K, pdipm->K, tao));
659     PetscCall(PCSetUp(pc));
660     PetscCall(MatGetInertia(Factor,&nneg,&nzero,&npos));
661 
662     if (npos < pdipm->Nx+pdipm->Nci) {
663       pdipm->deltaw = pdipm->lastdeltaw; /* in case reduction update does not help, this prevents that step from impacting increasing update */
664       while (npos < pdipm->Nx+pdipm->Nci && pdipm->deltaw <= 1./PETSC_SMALL) { /* increase deltaw */
665         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));
666         pdipm->deltaw = PetscMin(8*pdipm->deltaw,PetscPowReal(10,20));
667         PetscCall(TaoSNESJacobian_PDIPM(snes,X, pdipm->K, pdipm->K, tao));
668         PetscCall(PCSetUp(pc));
669         PetscCall(MatGetInertia(Factor,&nneg,&nzero,&npos));
670       }
671 
672       PetscCheck(pdipm->deltaw < 1./PETSC_SMALL,PetscObjectComm((PetscObject)tao),PETSC_ERR_CONV_FAILED,"Reached maximum delta w will not converge, try different initial x0");
673 
674       PetscCall(PetscInfo(tao,"Updated deltaw %g\n",(double)pdipm->deltaw));
675       pdipm->lastdeltaw = pdipm->deltaw;
676       pdipm->deltaw     = 0.0;
677     }
678   }
679 
680   if (nzero) { /* Jacobian is singular */
681     if (pdipm->deltac == 0.0) {
682       pdipm->deltac = PETSC_SQRT_MACHINE_EPSILON;
683     } else {
684       pdipm->deltac = pdipm->deltac*PetscPowReal(pdipm->mu,.25);
685     }
686     PetscCall(PetscInfo(tao,"Updated deltac=%g, MatInertia: nneg %" PetscInt_FMT ", nzero %" PetscInt_FMT "(!=0), npos %" PetscInt_FMT "\n",(double)pdipm->deltac,nneg,nzero,npos));
687     PetscCall(TaoSNESJacobian_PDIPM(snes,X, pdipm->K, pdipm->K, tao));
688     PetscCall(PCSetUp(pc));
689     PetscCall(MatGetInertia(Factor,&nneg,&nzero,&npos));
690   }
691   PetscFunctionReturn(0);
692 }
693 
694 /*
695   PCPreSolve_PDIPM -- called betwee MatFactorNumeric() and MatSolve()
696 */
697 PetscErrorCode PCPreSolve_PDIPM(PC pc,KSP ksp)
698 {
699   Tao            tao;
700   TAO_PDIPM      *pdipm;
701 
702   PetscFunctionBegin;
703   PetscCall(KSPGetApplicationContext(ksp,&tao));
704   pdipm = (TAO_PDIPM*)tao->data;
705   PetscCall(KKTAddShifts(tao,pdipm->snes,pdipm->X));
706   PetscFunctionReturn(0);
707 }
708 
709 /*
710    SNESLineSearch_PDIPM - Custom line search used with PDIPM.
711 
712    Collective on TAO
713 
714    Notes:
715    This routine employs a simple backtracking line-search to keep
716    the slack variables (z) and inequality constraints Lagrange multipliers
717    (lambdai) positive, i.e., z,lambdai >=0. It does this by calculating scalars
718    alpha_p and alpha_d to keep z,lambdai non-negative. The decision (x), and the
719    slack variables are updated as X = X - alpha_d*dx. The constraint multipliers
720    are updated as Lambdai = Lambdai + alpha_p*dLambdai. The barrier parameter mu
721    is also updated as mu = mu + z'lambdai/Nci
722 */
723 static PetscErrorCode SNESLineSearch_PDIPM(SNESLineSearch linesearch,void *ctx)
724 {
725   Tao               tao=(Tao)ctx;
726   TAO_PDIPM         *pdipm = (TAO_PDIPM*)tao->data;
727   SNES              snes;
728   Vec               X,F,Y;
729   PetscInt          i,iter;
730   PetscReal         alpha_p=1.0,alpha_d=1.0,alpha[4];
731   PetscScalar       *Xarr,*z,*lambdai,dot,*taosolarr;
732   const PetscScalar *dXarr,*dz,*dlambdai;
733 
734   PetscFunctionBegin;
735   PetscCall(SNESLineSearchGetSNES(linesearch,&snes));
736   PetscCall(SNESGetIterationNumber(snes,&iter));
737 
738   PetscCall(SNESLineSearchSetReason(linesearch,SNES_LINESEARCH_SUCCEEDED));
739   PetscCall(SNESLineSearchGetVecs(linesearch,&X,&F,&Y,NULL,NULL));
740 
741   PetscCall(VecGetArrayWrite(X,&Xarr));
742   PetscCall(VecGetArrayRead(Y,&dXarr));
743   z  = Xarr + pdipm->off_z;
744   dz = dXarr + pdipm->off_z;
745   for (i=0; i < pdipm->nci; i++) {
746     if (z[i] - dz[i] < 0.0) alpha_p = PetscMin(alpha_p, 0.9999*z[i]/dz[i]);
747   }
748 
749   lambdai  = Xarr + pdipm->off_lambdai;
750   dlambdai = dXarr + pdipm->off_lambdai;
751 
752   for (i=0; i<pdipm->nci; i++) {
753     if (lambdai[i] - dlambdai[i] < 0.0) alpha_d = PetscMin(0.9999*lambdai[i]/dlambdai[i], alpha_d);
754   }
755 
756   alpha[0] = alpha_p;
757   alpha[1] = alpha_d;
758   PetscCall(VecRestoreArrayRead(Y,&dXarr));
759   PetscCall(VecRestoreArrayWrite(X,&Xarr));
760 
761   /* alpha = min(alpha) over all processes */
762   PetscCallMPI(MPI_Allreduce(alpha,alpha+2,2,MPIU_REAL,MPIU_MIN,PetscObjectComm((PetscObject)tao)));
763 
764   alpha_p = alpha[2];
765   alpha_d = alpha[3];
766 
767   /* X = X - alpha * Y */
768   PetscCall(VecGetArrayWrite(X,&Xarr));
769   PetscCall(VecGetArrayRead(Y,&dXarr));
770   for (i=0; i<pdipm->nx; i++) Xarr[i] -= alpha_p * dXarr[i];
771   for (i=0; i<pdipm->nce; i++) Xarr[i+pdipm->off_lambdae] -= alpha_d * dXarr[i+pdipm->off_lambdae];
772 
773   for (i=0; i<pdipm->nci; i++) {
774     Xarr[i+pdipm->off_lambdai] -= alpha_d * dXarr[i+pdipm->off_lambdai];
775     Xarr[i+pdipm->off_z]       -= alpha_p * dXarr[i+pdipm->off_z];
776   }
777   PetscCall(VecGetArrayWrite(tao->solution,&taosolarr));
778   PetscCall(PetscMemcpy(taosolarr,Xarr,pdipm->nx*sizeof(PetscScalar)));
779   PetscCall(VecRestoreArrayWrite(tao->solution,&taosolarr));
780 
781   PetscCall(VecRestoreArrayWrite(X,&Xarr));
782   PetscCall(VecRestoreArrayRead(Y,&dXarr));
783 
784   /* Update mu = mu_update_factor * dot(z,lambdai)/pdipm->nci at updated X */
785   if (pdipm->z) {
786     PetscCall(VecDot(pdipm->z,pdipm->lambdai,&dot));
787   } else dot = 0.0;
788 
789   /* if (PetscAbsReal(pdipm->gradL) < 0.9*pdipm->mu)  */
790   pdipm->mu = pdipm->mu_update_factor * dot/pdipm->Nci;
791 
792   /* Update F; get tao->residual and tao->cnorm */
793   PetscCall(TaoSNESFunction_PDIPM_residual(snes,X,F,(void*)tao));
794 
795   tao->niter++;
796   PetscCall(TaoLogConvergenceHistory(tao,pdipm->obj,tao->residual,tao->cnorm,tao->niter));
797   PetscCall(TaoMonitor(tao,tao->niter,pdipm->obj,tao->residual,tao->cnorm,pdipm->mu));
798 
799   PetscCall((*tao->ops->convergencetest)(tao,tao->cnvP));
800   if (tao->reason) PetscCall(SNESSetConvergedReason(snes,SNES_CONVERGED_FNORM_ABS));
801   PetscFunctionReturn(0);
802 }
803 
804 /*
805    TaoSolve_PDIPM
806 
807    Input Parameter:
808    tao - TAO context
809 
810    Output Parameter:
811    tao - TAO context
812 */
813 PetscErrorCode TaoSolve_PDIPM(Tao tao)
814 {
815   TAO_PDIPM          *pdipm = (TAO_PDIPM*)tao->data;
816   SNESLineSearch     linesearch; /* SNESLineSearch context */
817   Vec                dummy;
818 
819   PetscFunctionBegin;
820   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");
821 
822   /* Initialize all variables */
823   PetscCall(TaoPDIPMInitializeSolution(tao));
824 
825   /* Set linesearch */
826   PetscCall(SNESGetLineSearch(pdipm->snes,&linesearch));
827   PetscCall(SNESLineSearchSetType(linesearch,SNESLINESEARCHSHELL));
828   PetscCall(SNESLineSearchShellSetUserFunc(linesearch,SNESLineSearch_PDIPM,tao));
829   PetscCall(SNESLineSearchSetFromOptions(linesearch));
830 
831   tao->reason = TAO_CONTINUE_ITERATING;
832 
833   /* -tao_monitor for iteration 0 and check convergence */
834   PetscCall(VecDuplicate(pdipm->X,&dummy));
835   PetscCall(TaoSNESFunction_PDIPM_residual(pdipm->snes,pdipm->X,dummy,(void*)tao));
836 
837   PetscCall(TaoLogConvergenceHistory(tao,pdipm->obj,tao->residual,tao->cnorm,tao->niter));
838   PetscCall(TaoMonitor(tao,tao->niter,pdipm->obj,tao->residual,tao->cnorm,pdipm->mu));
839   PetscCall(VecDestroy(&dummy));
840   PetscCall((*tao->ops->convergencetest)(tao,tao->cnvP));
841   if (tao->reason) PetscCall(SNESSetConvergedReason(pdipm->snes,SNES_CONVERGED_FNORM_ABS));
842 
843   while (tao->reason == TAO_CONTINUE_ITERATING) {
844     SNESConvergedReason reason;
845     PetscCall(SNESSolve(pdipm->snes,NULL,pdipm->X));
846 
847     /* Check SNES convergence */
848     PetscCall(SNESGetConvergedReason(pdipm->snes,&reason));
849     if (reason < 0) {
850       PetscCall(PetscPrintf(PetscObjectComm((PetscObject)pdipm->snes),"SNES solve did not converged due to reason %s\n",SNESConvergedReasons[reason]));
851     }
852 
853     /* Check TAO convergence */
854     PetscCheck(!PetscIsInfOrNanReal(pdipm->obj),PETSC_COMM_SELF,PETSC_ERR_SUP,"User-provided compute function generated Inf or NaN");
855   }
856   PetscFunctionReturn(0);
857 }
858 
859 /*
860   TaoView_PDIPM - View PDIPM
861 
862    Input Parameter:
863     tao - TAO object
864     viewer - PetscViewer
865 
866    Output:
867 */
868 PetscErrorCode TaoView_PDIPM(Tao tao,PetscViewer viewer)
869 {
870   TAO_PDIPM      *pdipm = (TAO_PDIPM *)tao->data;
871 
872   PetscFunctionBegin;
873   tao->constrained = PETSC_TRUE;
874   PetscCall(PetscViewerASCIIPushTab(viewer));
875   PetscCall(PetscViewerASCIIPrintf(viewer,"Number of prime=%" PetscInt_FMT ", Number of dual=%" PetscInt_FMT "\n",pdipm->Nx+pdipm->Nci,pdipm->Nce + pdipm->Nci));
876   if (pdipm->kkt_pd) {
877     PetscCall(PetscViewerASCIIPrintf(viewer,"KKT shifts deltaw=%g, deltac=%g\n",(double)pdipm->deltaw,(double)pdipm->deltac));
878   }
879   PetscCall(PetscViewerASCIIPopTab(viewer));
880   PetscFunctionReturn(0);
881 }
882 
883 /*
884    TaoSetup_PDIPM - Sets up tao and pdipm
885 
886    Input Parameter:
887    tao - TAO object
888 
889    Output:   pdipm - initialized object
890 */
891 PetscErrorCode TaoSetup_PDIPM(Tao tao)
892 {
893   TAO_PDIPM         *pdipm = (TAO_PDIPM*)tao->data;
894   MPI_Comm          comm;
895   PetscMPIInt       size;
896   PetscInt          row,col,Jcrstart,Jcrend,k,tmp,nc,proc,*nh_all,*ng_all;
897   PetscInt          offset,*xa,*xb,i,j,rstart,rend;
898   PetscScalar       one=1.0,neg_one=-1.0;
899   const PetscInt    *cols,*rranges,*cranges,*aj,*ranges;
900   const PetscScalar *aa,*Xarr;
901   Mat               J;
902   Mat               Jce_xfixed_trans,Jci_xb_trans;
903   PetscInt          *dnz,*onz,rjstart,nx_all,*nce_all,*Jranges,cols1[2];
904 
905   PetscFunctionBegin;
906   PetscCall(PetscObjectGetComm((PetscObject)tao,&comm));
907   PetscCallMPI(MPI_Comm_size(comm,&size));
908 
909   /* (1) Setup Bounds and create Tao vectors */
910   PetscCall(TaoPDIPMSetUpBounds(tao));
911 
912   if (!tao->gradient) {
913     PetscCall(VecDuplicate(tao->solution,&tao->gradient));
914     PetscCall(VecDuplicate(tao->solution,&tao->stepdirection));
915   }
916 
917   /* (2) Get sizes */
918   /* Size of vector x - This is set by TaoSetSolution */
919   PetscCall(VecGetSize(tao->solution,&pdipm->Nx));
920   PetscCall(VecGetLocalSize(tao->solution,&pdipm->nx));
921 
922   /* Size of equality constraints and vectors */
923   if (tao->constraints_equality) {
924     PetscCall(VecGetSize(tao->constraints_equality,&pdipm->Ng));
925     PetscCall(VecGetLocalSize(tao->constraints_equality,&pdipm->ng));
926   } else {
927     pdipm->ng = pdipm->Ng = 0;
928   }
929 
930   pdipm->nce = pdipm->ng + pdipm->nxfixed;
931   pdipm->Nce = pdipm->Ng + pdipm->Nxfixed;
932 
933   /* Size of inequality constraints and vectors */
934   if (tao->constraints_inequality) {
935     PetscCall(VecGetSize(tao->constraints_inequality,&pdipm->Nh));
936     PetscCall(VecGetLocalSize(tao->constraints_inequality,&pdipm->nh));
937   } else {
938     pdipm->nh = pdipm->Nh = 0;
939   }
940 
941   pdipm->nci = pdipm->nh + pdipm->nxlb + pdipm->nxub + 2*pdipm->nxbox;
942   pdipm->Nci = pdipm->Nh + pdipm->Nxlb + pdipm->Nxub + 2*pdipm->Nxbox;
943 
944   /* Full size of the KKT system to be solved */
945   pdipm->n = pdipm->nx + pdipm->nce + 2*pdipm->nci;
946   pdipm->N = pdipm->Nx + pdipm->Nce + 2*pdipm->Nci;
947 
948   /* (3) Offsets for subvectors */
949   pdipm->off_lambdae = pdipm->nx;
950   pdipm->off_lambdai = pdipm->off_lambdae + pdipm->nce;
951   pdipm->off_z       = pdipm->off_lambdai + pdipm->nci;
952 
953   /* (4) Create vectors and subvectors */
954   /* Ce and Ci vectors */
955   PetscCall(VecCreate(comm,&pdipm->ce));
956   PetscCall(VecSetSizes(pdipm->ce,pdipm->nce,pdipm->Nce));
957   PetscCall(VecSetFromOptions(pdipm->ce));
958 
959   PetscCall(VecCreate(comm,&pdipm->ci));
960   PetscCall(VecSetSizes(pdipm->ci,pdipm->nci,pdipm->Nci));
961   PetscCall(VecSetFromOptions(pdipm->ci));
962 
963   /* X=[x; lambdae; lambdai; z] for the big KKT system */
964   PetscCall(VecCreate(comm,&pdipm->X));
965   PetscCall(VecSetSizes(pdipm->X,pdipm->n,pdipm->N));
966   PetscCall(VecSetFromOptions(pdipm->X));
967 
968   /* Subvectors; they share local arrays with X */
969   PetscCall(VecGetArrayRead(pdipm->X,&Xarr));
970   /* x shares local array with X.x */
971   if (pdipm->Nx) {
972     PetscCall(VecCreateMPIWithArray(comm,1,pdipm->nx,pdipm->Nx,Xarr,&pdipm->x));
973   }
974 
975   /* lambdae shares local array with X.lambdae */
976   if (pdipm->Nce) {
977     PetscCall(VecCreateMPIWithArray(comm,1,pdipm->nce,pdipm->Nce,Xarr+pdipm->off_lambdae,&pdipm->lambdae));
978   }
979 
980   /* tao->DE shares local array with X.lambdae_g */
981   if (pdipm->Ng) {
982     PetscCall(VecCreateMPIWithArray(comm,1,pdipm->ng,pdipm->Ng,Xarr+pdipm->off_lambdae,&tao->DE));
983 
984     PetscCall(VecCreate(comm,&pdipm->lambdae_xfixed));
985     PetscCall(VecSetSizes(pdipm->lambdae_xfixed,pdipm->nxfixed,PETSC_DECIDE));
986     PetscCall(VecSetFromOptions(pdipm->lambdae_xfixed));
987   }
988 
989   if (pdipm->Nci) {
990     /* lambdai shares local array with X.lambdai */
991     PetscCall(VecCreateMPIWithArray(comm,1,pdipm->nci,pdipm->Nci,Xarr+pdipm->off_lambdai,&pdipm->lambdai));
992 
993     /* z for slack variables; it shares local array with X.z */
994     PetscCall(VecCreateMPIWithArray(comm,1,pdipm->nci,pdipm->Nci,Xarr+pdipm->off_z,&pdipm->z));
995   }
996 
997   /* tao->DI which shares local array with X.lambdai_h */
998   if (pdipm->Nh) {
999     PetscCall(VecCreateMPIWithArray(comm,1,pdipm->nh,pdipm->Nh,Xarr+pdipm->off_lambdai,&tao->DI));
1000   }
1001   PetscCall(VecCreate(comm,&pdipm->lambdai_xb));
1002   PetscCall(VecSetSizes(pdipm->lambdai_xb,(pdipm->nci - pdipm->nh),PETSC_DECIDE));
1003   PetscCall(VecSetFromOptions(pdipm->lambdai_xb));
1004 
1005   PetscCall(VecRestoreArrayRead(pdipm->X,&Xarr));
1006 
1007   /* (5) Create Jacobians Jce_xfixed and Jci */
1008   /* (5.1) PDIPM Jacobian of equality bounds cebound(x) = J_nxfixed */
1009   if (pdipm->Nxfixed) {
1010     /* Create Jce_xfixed */
1011     PetscCall(MatCreate(comm,&pdipm->Jce_xfixed));
1012     PetscCall(MatSetSizes(pdipm->Jce_xfixed,pdipm->nxfixed,pdipm->nx,PETSC_DECIDE,pdipm->Nx));
1013     PetscCall(MatSetFromOptions(pdipm->Jce_xfixed));
1014     PetscCall(MatSeqAIJSetPreallocation(pdipm->Jce_xfixed,1,NULL));
1015     PetscCall(MatMPIAIJSetPreallocation(pdipm->Jce_xfixed,1,NULL,1,NULL));
1016 
1017     PetscCall(MatGetOwnershipRange(pdipm->Jce_xfixed,&Jcrstart,&Jcrend));
1018     PetscCall(ISGetIndices(pdipm->isxfixed,&cols));
1019     k = 0;
1020     for (row = Jcrstart; row < Jcrend; row++) {
1021       PetscCall(MatSetValues(pdipm->Jce_xfixed,1,&row,1,cols+k,&one,INSERT_VALUES));
1022       k++;
1023     }
1024     PetscCall(ISRestoreIndices(pdipm->isxfixed, &cols));
1025     PetscCall(MatAssemblyBegin(pdipm->Jce_xfixed,MAT_FINAL_ASSEMBLY));
1026     PetscCall(MatAssemblyEnd(pdipm->Jce_xfixed,MAT_FINAL_ASSEMBLY));
1027   }
1028 
1029   /* (5.2) PDIPM inequality Jacobian Jci = [tao->jacobian_inequality; ...] */
1030   PetscCall(MatCreate(comm,&pdipm->Jci_xb));
1031   PetscCall(MatSetSizes(pdipm->Jci_xb,pdipm->nci-pdipm->nh,pdipm->nx,PETSC_DECIDE,pdipm->Nx));
1032   PetscCall(MatSetFromOptions(pdipm->Jci_xb));
1033   PetscCall(MatSeqAIJSetPreallocation(pdipm->Jci_xb,1,NULL));
1034   PetscCall(MatMPIAIJSetPreallocation(pdipm->Jci_xb,1,NULL,1,NULL));
1035 
1036   PetscCall(MatGetOwnershipRange(pdipm->Jci_xb,&Jcrstart,&Jcrend));
1037   offset = Jcrstart;
1038   if (pdipm->Nxub) {
1039     /* Add xub to Jci_xb */
1040     PetscCall(ISGetIndices(pdipm->isxub,&cols));
1041     k = 0;
1042     for (row = offset; row < offset + pdipm->nxub; row++) {
1043       PetscCall(MatSetValues(pdipm->Jci_xb,1,&row,1,cols+k,&neg_one,INSERT_VALUES));
1044       k++;
1045     }
1046     PetscCall(ISRestoreIndices(pdipm->isxub, &cols));
1047   }
1048 
1049   if (pdipm->Nxlb) {
1050     /* Add xlb to Jci_xb */
1051     PetscCall(ISGetIndices(pdipm->isxlb,&cols));
1052     k = 0;
1053     offset += pdipm->nxub;
1054     for (row = offset; row < offset + pdipm->nxlb; row++) {
1055       PetscCall(MatSetValues(pdipm->Jci_xb,1,&row,1,cols+k,&one,INSERT_VALUES));
1056       k++;
1057     }
1058     PetscCall(ISRestoreIndices(pdipm->isxlb, &cols));
1059   }
1060 
1061   /* Add xbox to Jci_xb */
1062   if (pdipm->Nxbox) {
1063     PetscCall(ISGetIndices(pdipm->isxbox,&cols));
1064     k = 0;
1065     offset += pdipm->nxlb;
1066     for (row = offset; row < offset + pdipm->nxbox; row++) {
1067       PetscCall(MatSetValues(pdipm->Jci_xb,1,&row,1,cols+k,&neg_one,INSERT_VALUES));
1068       tmp = row + pdipm->nxbox;
1069       PetscCall(MatSetValues(pdipm->Jci_xb,1,&tmp,1,cols+k,&one,INSERT_VALUES));
1070       k++;
1071     }
1072     PetscCall(ISRestoreIndices(pdipm->isxbox, &cols));
1073   }
1074 
1075   PetscCall(MatAssemblyBegin(pdipm->Jci_xb,MAT_FINAL_ASSEMBLY));
1076   PetscCall(MatAssemblyEnd(pdipm->Jci_xb,MAT_FINAL_ASSEMBLY));
1077   /* PetscCall(MatView(pdipm->Jci_xb,PETSC_VIEWER_STDOUT_WORLD)); */
1078 
1079   /* (6) Set up ISs for PC Fieldsplit */
1080   if (pdipm->solve_reduced_kkt) {
1081     PetscCall(PetscMalloc2(pdipm->nx+pdipm->nce,&xa,2*pdipm->nci,&xb));
1082     for (i=0; i < pdipm->nx + pdipm->nce; i++) xa[i] = i;
1083     for (i=0; i < 2*pdipm->nci; i++) xb[i] = pdipm->off_lambdai + i;
1084 
1085     PetscCall(ISCreateGeneral(comm,pdipm->nx+pdipm->nce,xa,PETSC_OWN_POINTER,&pdipm->is1));
1086     PetscCall(ISCreateGeneral(comm,2*pdipm->nci,xb,PETSC_OWN_POINTER,&pdipm->is2));
1087   }
1088 
1089   /* (7) Gather offsets from all processes */
1090   PetscCall(PetscMalloc1(size,&pdipm->nce_all));
1091 
1092   /* Get rstart of KKT matrix */
1093   PetscCallMPI(MPI_Scan(&pdipm->n,&rstart,1,MPIU_INT,MPI_SUM,comm));
1094   rstart -= pdipm->n;
1095 
1096   PetscCallMPI(MPI_Allgather(&pdipm->nce,1,MPIU_INT,pdipm->nce_all,1,MPIU_INT,comm));
1097 
1098   PetscCall(PetscMalloc3(size,&ng_all,size,&nh_all,size,&Jranges));
1099   PetscCallMPI(MPI_Allgather(&rstart,1,MPIU_INT,Jranges,1,MPIU_INT,comm));
1100   PetscCallMPI(MPI_Allgather(&pdipm->nh,1,MPIU_INT,nh_all,1,MPIU_INT,comm));
1101   PetscCallMPI(MPI_Allgather(&pdipm->ng,1,MPIU_INT,ng_all,1,MPIU_INT,comm));
1102 
1103   PetscCall(MatGetOwnershipRanges(tao->hessian,&rranges));
1104   PetscCall(MatGetOwnershipRangesColumn(tao->hessian,&cranges));
1105 
1106   if (pdipm->Ng) {
1107     PetscCall(TaoComputeJacobianEquality(tao,tao->solution,tao->jacobian_equality,tao->jacobian_equality_pre));
1108     PetscCall(MatTranspose(tao->jacobian_equality,MAT_INITIAL_MATRIX,&pdipm->jac_equality_trans));
1109   }
1110   if (pdipm->Nh) {
1111     PetscCall(TaoComputeJacobianInequality(tao,tao->solution,tao->jacobian_inequality,tao->jacobian_inequality_pre));
1112     PetscCall(MatTranspose(tao->jacobian_inequality,MAT_INITIAL_MATRIX,&pdipm->jac_inequality_trans));
1113   }
1114 
1115   /* Count dnz,onz for preallocation of KKT matrix */
1116   nce_all = pdipm->nce_all;
1117 
1118   if (pdipm->Nxfixed) {
1119     PetscCall(MatTranspose(pdipm->Jce_xfixed,MAT_INITIAL_MATRIX,&Jce_xfixed_trans));
1120   }
1121   PetscCall(MatTranspose(pdipm->Jci_xb,MAT_INITIAL_MATRIX,&Jci_xb_trans));
1122 
1123   MatPreallocateBegin(comm,pdipm->n,pdipm->n,dnz,onz);
1124 
1125   /* 1st row block of KKT matrix: [Wxx; gradCe'; -gradCi'; 0] */
1126   PetscCall(TaoPDIPMEvaluateFunctionsAndJacobians(tao,pdipm->x));
1127   PetscCall(TaoComputeHessian(tao,tao->solution,tao->hessian,tao->hessian_pre));
1128 
1129   /* Insert tao->hessian */
1130   PetscCall(MatGetOwnershipRange(tao->hessian,&rjstart,NULL));
1131   for (i=0; i<pdipm->nx; i++) {
1132     row = rstart + i;
1133 
1134     PetscCall(MatGetRow(tao->hessian,i+rjstart,&nc,&aj,NULL));
1135     proc = 0;
1136     for (j=0; j < nc; j++) {
1137       while (aj[j] >= cranges[proc+1]) proc++;
1138       col = aj[j] - cranges[proc] + Jranges[proc];
1139       PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1140     }
1141     PetscCall(MatRestoreRow(tao->hessian,i+rjstart,&nc,&aj,NULL));
1142 
1143     if (pdipm->ng) {
1144       /* Insert grad g' */
1145       PetscCall(MatGetRow(pdipm->jac_equality_trans,i+rjstart,&nc,&aj,NULL));
1146       PetscCall(MatGetOwnershipRanges(tao->jacobian_equality,&ranges));
1147       proc = 0;
1148       for (j=0; j < nc; j++) {
1149         /* find row ownership of */
1150         while (aj[j] >= ranges[proc+1]) proc++;
1151         nx_all = rranges[proc+1] - rranges[proc];
1152         col = aj[j] - ranges[proc] + Jranges[proc] + nx_all;
1153         PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1154       }
1155       PetscCall(MatRestoreRow(pdipm->jac_equality_trans,i+rjstart,&nc,&aj,NULL));
1156     }
1157 
1158     /* Insert Jce_xfixed^T' */
1159     if (pdipm->nxfixed) {
1160       PetscCall(MatGetRow(Jce_xfixed_trans,i+rjstart,&nc,&aj,NULL));
1161       PetscCall(MatGetOwnershipRanges(pdipm->Jce_xfixed,&ranges));
1162       proc = 0;
1163       for (j=0; j < nc; j++) {
1164         /* find row ownership of */
1165         while (aj[j] >= ranges[proc+1]) proc++;
1166         nx_all = rranges[proc+1] - rranges[proc];
1167         col = aj[j] - ranges[proc] + Jranges[proc] + nx_all + ng_all[proc];
1168         PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1169       }
1170       PetscCall(MatRestoreRow(Jce_xfixed_trans,i+rjstart,&nc,&aj,NULL));
1171     }
1172 
1173     if (pdipm->nh) {
1174       /* Insert -grad h' */
1175       PetscCall(MatGetRow(pdipm->jac_inequality_trans,i+rjstart,&nc,&aj,NULL));
1176       PetscCall(MatGetOwnershipRanges(tao->jacobian_inequality,&ranges));
1177       proc = 0;
1178       for (j=0; j < nc; j++) {
1179         /* find row ownership of */
1180         while (aj[j] >= ranges[proc+1]) proc++;
1181         nx_all = rranges[proc+1] - rranges[proc];
1182         col = aj[j] - ranges[proc] + Jranges[proc] + nx_all + nce_all[proc];
1183         PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1184       }
1185       PetscCall(MatRestoreRow(pdipm->jac_inequality_trans,i+rjstart,&nc,&aj,NULL));
1186     }
1187 
1188     /* Insert Jci_xb^T' */
1189     PetscCall(MatGetRow(Jci_xb_trans,i+rjstart,&nc,&aj,NULL));
1190     PetscCall(MatGetOwnershipRanges(pdipm->Jci_xb,&ranges));
1191     proc = 0;
1192     for (j=0; j < nc; j++) {
1193       /* find row ownership of */
1194       while (aj[j] >= ranges[proc+1]) proc++;
1195       nx_all = rranges[proc+1] - rranges[proc];
1196       col = aj[j] - ranges[proc] + Jranges[proc] + nx_all + nce_all[proc] + nh_all[proc];
1197       PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1198     }
1199     PetscCall(MatRestoreRow(Jci_xb_trans,i+rjstart,&nc,&aj,NULL));
1200   }
1201 
1202   /* 2nd Row block of KKT matrix: [grad Ce, deltac*I, 0, 0] */
1203   if (pdipm->Ng) {
1204     PetscCall(MatGetOwnershipRange(tao->jacobian_equality,&rjstart,NULL));
1205     for (i=0; i < pdipm->ng; i++) {
1206       row = rstart + pdipm->off_lambdae + i;
1207 
1208       PetscCall(MatGetRow(tao->jacobian_equality,i+rjstart,&nc,&aj,NULL));
1209       proc = 0;
1210       for (j=0; j < nc; j++) {
1211         while (aj[j] >= cranges[proc+1]) proc++;
1212         col = aj[j] - cranges[proc] + Jranges[proc];
1213         PetscCall(MatPreallocateSet(row,1,&col,dnz,onz)); /* grad g */
1214       }
1215       PetscCall(MatRestoreRow(tao->jacobian_equality,i+rjstart,&nc,&aj,NULL));
1216     }
1217   }
1218   /* Jce_xfixed */
1219   if (pdipm->Nxfixed) {
1220     PetscCall(MatGetOwnershipRange(pdipm->Jce_xfixed,&Jcrstart,NULL));
1221     for (i=0; i < (pdipm->nce - pdipm->ng); i++) {
1222       row = rstart + pdipm->off_lambdae + pdipm->ng + i;
1223 
1224       PetscCall(MatGetRow(pdipm->Jce_xfixed,i+Jcrstart,&nc,&cols,NULL));
1225       PetscCheck(nc == 1,PETSC_COMM_SELF,PETSC_ERR_SUP,"nc != 1");
1226 
1227       proc = 0;
1228       j    = 0;
1229       while (cols[j] >= cranges[proc+1]) proc++;
1230       col = cols[j] - cranges[proc] + Jranges[proc];
1231       PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1232       PetscCall(MatRestoreRow(pdipm->Jce_xfixed,i+Jcrstart,&nc,&cols,NULL));
1233     }
1234   }
1235 
1236   /* 3rd Row block of KKT matrix: [ gradCi, 0, deltac*I, -I] */
1237   if (pdipm->Nh) {
1238     PetscCall(MatGetOwnershipRange(tao->jacobian_inequality,&rjstart,NULL));
1239     for (i=0; i < pdipm->nh; i++) {
1240       row = rstart + pdipm->off_lambdai + i;
1241 
1242       PetscCall(MatGetRow(tao->jacobian_inequality,i+rjstart,&nc,&aj,NULL));
1243       proc = 0;
1244       for (j=0; j < nc; j++) {
1245         while (aj[j] >= cranges[proc+1]) proc++;
1246         col = aj[j] - cranges[proc] + Jranges[proc];
1247         PetscCall(MatPreallocateSet(row,1,&col,dnz,onz)); /* grad h */
1248       }
1249       PetscCall(MatRestoreRow(tao->jacobian_inequality,i+rjstart,&nc,&aj,NULL));
1250     }
1251     /* I */
1252     for (i=0; i < pdipm->nh; i++) {
1253       row = rstart + pdipm->off_lambdai + i;
1254       col = rstart + pdipm->off_z + i;
1255       PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1256     }
1257   }
1258 
1259   /* Jci_xb */
1260   PetscCall(MatGetOwnershipRange(pdipm->Jci_xb,&Jcrstart,NULL));
1261   for (i=0; i < (pdipm->nci - pdipm->nh); i++) {
1262     row = rstart + pdipm->off_lambdai + pdipm->nh + i;
1263 
1264     PetscCall(MatGetRow(pdipm->Jci_xb,i+Jcrstart,&nc,&cols,NULL));
1265     PetscCheck(nc == 1,PETSC_COMM_SELF,PETSC_ERR_SUP,"nc != 1");
1266     proc = 0;
1267     for (j=0; j < nc; j++) {
1268       while (cols[j] >= cranges[proc+1]) proc++;
1269       col = cols[j] - cranges[proc] + Jranges[proc];
1270       PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1271     }
1272     PetscCall(MatRestoreRow(pdipm->Jci_xb,i+Jcrstart,&nc,&cols,NULL));
1273     /* I */
1274     col = rstart + pdipm->off_z + pdipm->nh + i;
1275     PetscCall(MatPreallocateSet(row,1,&col,dnz,onz));
1276   }
1277 
1278   /* 4-th Row block of KKT matrix: Z and Ci */
1279   for (i=0; i < pdipm->nci; i++) {
1280     row     = rstart + pdipm->off_z + i;
1281     cols1[0] = rstart + pdipm->off_lambdai + i;
1282     cols1[1] = row;
1283     PetscCall(MatPreallocateSet(row,2,cols1,dnz,onz));
1284   }
1285 
1286   /* diagonal entry */
1287   for (i=0; i<pdipm->n; i++) dnz[i]++; /* diagonal entry */
1288 
1289   /* Create KKT matrix */
1290   PetscCall(MatCreate(comm,&J));
1291   PetscCall(MatSetSizes(J,pdipm->n,pdipm->n,PETSC_DECIDE,PETSC_DECIDE));
1292   PetscCall(MatSetFromOptions(J));
1293   PetscCall(MatSeqAIJSetPreallocation(J,0,dnz));
1294   PetscCall(MatMPIAIJSetPreallocation(J,0,dnz,0,onz));
1295   MatPreallocateEnd(dnz,onz);
1296   pdipm->K = J;
1297 
1298   /* (8) Insert constant entries to  K */
1299   /* Set 0.0 to diagonal of K, so that the solver does not complain *about missing diagonal value */
1300   PetscCall(MatGetOwnershipRange(J,&rstart,&rend));
1301   for (i=rstart; i<rend; i++) {
1302     PetscCall(MatSetValue(J,i,i,0.0,INSERT_VALUES));
1303   }
1304   /* In case Wxx has no diagonal entries preset set diagonal to deltaw given */
1305   if (pdipm->kkt_pd) {
1306       for (i=0; i<pdipm->nh; i++) {
1307         row  = rstart + i;
1308         PetscCall(MatSetValue(J,row,row,pdipm->deltaw,INSERT_VALUES));
1309       }
1310   }
1311 
1312   /* Row block of K: [ grad Ce, 0, 0, 0] */
1313   if (pdipm->Nxfixed) {
1314     PetscCall(MatGetOwnershipRange(pdipm->Jce_xfixed,&Jcrstart,NULL));
1315     for (i=0; i < (pdipm->nce - pdipm->ng); i++) {
1316       row = rstart + pdipm->off_lambdae + pdipm->ng + i;
1317 
1318       PetscCall(MatGetRow(pdipm->Jce_xfixed,i+Jcrstart,&nc,&cols,&aa));
1319       proc = 0;
1320       for (j=0; j < nc; j++) {
1321         while (cols[j] >= cranges[proc+1]) proc++;
1322         col = cols[j] - cranges[proc] + Jranges[proc];
1323         PetscCall(MatSetValue(J,row,col,aa[j],INSERT_VALUES)); /* grad Ce */
1324         PetscCall(MatSetValue(J,col,row,aa[j],INSERT_VALUES)); /* grad Ce' */
1325       }
1326       PetscCall(MatRestoreRow(pdipm->Jce_xfixed,i+Jcrstart,&nc,&cols,&aa));
1327     }
1328   }
1329 
1330   /* Row block of K: [ -grad Ci, 0, 0, I] */
1331   PetscCall(MatGetOwnershipRange(pdipm->Jci_xb,&Jcrstart,NULL));
1332   for (i=0; i < pdipm->nci - pdipm->nh; i++) {
1333     row = rstart + pdipm->off_lambdai + pdipm->nh + i;
1334 
1335     PetscCall(MatGetRow(pdipm->Jci_xb,i+Jcrstart,&nc,&cols,&aa));
1336     proc = 0;
1337     for (j=0; j < nc; j++) {
1338       while (cols[j] >= cranges[proc+1]) proc++;
1339       col = cols[j] - cranges[proc] + Jranges[proc];
1340       PetscCall(MatSetValue(J,col,row,-aa[j],INSERT_VALUES));
1341       PetscCall(MatSetValue(J,row,col,-aa[j],INSERT_VALUES));
1342     }
1343     PetscCall(MatRestoreRow(pdipm->Jci_xb,i+Jcrstart,&nc,&cols,&aa));
1344 
1345     col = rstart + pdipm->off_z + pdipm->nh + i;
1346     PetscCall(MatSetValue(J,row,col,1,INSERT_VALUES));
1347   }
1348 
1349   for (i=0; i < pdipm->nh; i++) {
1350     row = rstart + pdipm->off_lambdai + i;
1351     col = rstart + pdipm->off_z + i;
1352     PetscCall(MatSetValue(J,row,col,1,INSERT_VALUES));
1353   }
1354 
1355   /* Row block of K: [ 0, 0, I, ...] */
1356   for (i=0; i < pdipm->nci; i++) {
1357     row = rstart + pdipm->off_z + i;
1358     col = rstart + pdipm->off_lambdai + i;
1359     PetscCall(MatSetValue(J,row,col,1,INSERT_VALUES));
1360   }
1361 
1362   if (pdipm->Nxfixed) {
1363     PetscCall(MatDestroy(&Jce_xfixed_trans));
1364   }
1365   PetscCall(MatDestroy(&Jci_xb_trans));
1366   PetscCall(PetscFree3(ng_all,nh_all,Jranges));
1367 
1368   /* (9) Set up nonlinear solver SNES */
1369   PetscCall(SNESSetFunction(pdipm->snes,NULL,TaoSNESFunction_PDIPM,(void*)tao));
1370   PetscCall(SNESSetJacobian(pdipm->snes,J,J,TaoSNESJacobian_PDIPM,(void*)tao));
1371 
1372   if (pdipm->solve_reduced_kkt) {
1373     PC pc;
1374     PetscCall(KSPGetPC(tao->ksp,&pc));
1375     PetscCall(PCSetType(pc,PCFIELDSPLIT));
1376     PetscCall(PCFieldSplitSetType(pc,PC_COMPOSITE_SCHUR));
1377     PetscCall(PCFieldSplitSetIS(pc,"2",pdipm->is2));
1378     PetscCall(PCFieldSplitSetIS(pc,"1",pdipm->is1));
1379   }
1380   PetscCall(SNESSetFromOptions(pdipm->snes));
1381 
1382   /* (10) Setup PCPreSolve() for pdipm->solve_symmetric_kkt */
1383   if (pdipm->solve_symmetric_kkt) {
1384     KSP       ksp;
1385     PC        pc;
1386     PetscBool isCHOL;
1387     PetscCall(SNESGetKSP(pdipm->snes,&ksp));
1388     PetscCall(KSPGetPC(ksp,&pc));
1389     PetscCall(PCSetPreSolve(pc,PCPreSolve_PDIPM));
1390 
1391     PetscCall(PetscObjectTypeCompare((PetscObject)pc,PCCHOLESKY,&isCHOL));
1392     if (isCHOL) {
1393       Mat        Factor;
1394       PetscBool  isMUMPS;
1395       PetscCall(PCFactorGetMatrix(pc,&Factor));
1396       PetscCall(PetscObjectTypeCompare((PetscObject)Factor,"mumps",&isMUMPS));
1397       if (isMUMPS) { /* must set mumps ICNTL(13)=1 and ICNTL(24)=1 to call MatGetInertia() */
1398 #if defined(PETSC_HAVE_MUMPS)
1399         PetscCall(MatMumpsSetIcntl(Factor,24,1)); /* detection of null pivot rows */
1400         if (size > 1) {
1401           PetscCall(MatMumpsSetIcntl(Factor,13,1)); /* parallelism of the root node (enable ScaLAPACK) and its splitting */
1402         }
1403 #else
1404         SETERRQ(PetscObjectComm((PetscObject)tao),PETSC_ERR_SUP,"Requires external package MUMPS");
1405 #endif
1406       }
1407     }
1408   }
1409   PetscFunctionReturn(0);
1410 }
1411 
1412 /*
1413    TaoDestroy_PDIPM - Destroys the pdipm object
1414 
1415    Input:
1416    full pdipm
1417 
1418    Output:
1419    Destroyed pdipm
1420 */
1421 PetscErrorCode TaoDestroy_PDIPM(Tao tao)
1422 {
1423   TAO_PDIPM      *pdipm = (TAO_PDIPM*)tao->data;
1424 
1425   PetscFunctionBegin;
1426   /* Freeing Vectors assocaiated with KKT (X) */
1427   PetscCall(VecDestroy(&pdipm->x)); /* Solution x */
1428   PetscCall(VecDestroy(&pdipm->lambdae)); /* Equality constraints lagrangian multiplier*/
1429   PetscCall(VecDestroy(&pdipm->lambdai)); /* Inequality constraints lagrangian multiplier*/
1430   PetscCall(VecDestroy(&pdipm->z));       /* Slack variables */
1431   PetscCall(VecDestroy(&pdipm->X));       /* Big KKT system vector [x; lambdae; lambdai; z] */
1432 
1433   /* work vectors */
1434   PetscCall(VecDestroy(&pdipm->lambdae_xfixed));
1435   PetscCall(VecDestroy(&pdipm->lambdai_xb));
1436 
1437   /* Legrangian equality and inequality Vec */
1438   PetscCall(VecDestroy(&pdipm->ce)); /* Vec of equality constraints */
1439   PetscCall(VecDestroy(&pdipm->ci)); /* Vec of inequality constraints */
1440 
1441   /* Matrices */
1442   PetscCall(MatDestroy(&pdipm->Jce_xfixed));
1443   PetscCall(MatDestroy(&pdipm->Jci_xb)); /* Jacobian of inequality constraints Jci = [tao->jacobian_inequality ; J(nxub); J(nxlb); J(nxbx)] */
1444   PetscCall(MatDestroy(&pdipm->K));
1445 
1446   /* Index Sets */
1447   if (pdipm->Nxub) {
1448     PetscCall(ISDestroy(&pdipm->isxub));    /* Finite upper bound only -inf < x < ub */
1449   }
1450 
1451   if (pdipm->Nxlb) {
1452     PetscCall(ISDestroy(&pdipm->isxlb));    /* Finite lower bound only  lb <= x < inf */
1453   }
1454 
1455   if (pdipm->Nxfixed) {
1456     PetscCall(ISDestroy(&pdipm->isxfixed)); /* Fixed variables         lb =  x = ub */
1457   }
1458 
1459   if (pdipm->Nxbox) {
1460     PetscCall(ISDestroy(&pdipm->isxbox));   /* Boxed variables         lb <= x <= ub */
1461   }
1462 
1463   if (pdipm->Nxfree) {
1464     PetscCall(ISDestroy(&pdipm->isxfree));  /* Free variables        -inf <= x <= inf */
1465   }
1466 
1467   if (pdipm->solve_reduced_kkt) {
1468     PetscCall(ISDestroy(&pdipm->is1));
1469     PetscCall(ISDestroy(&pdipm->is2));
1470   }
1471 
1472   /* SNES */
1473   PetscCall(SNESDestroy(&pdipm->snes)); /* Nonlinear solver */
1474   PetscCall(PetscFree(pdipm->nce_all));
1475   PetscCall(MatDestroy(&pdipm->jac_equality_trans));
1476   PetscCall(MatDestroy(&pdipm->jac_inequality_trans));
1477 
1478   /* Destroy pdipm */
1479   PetscCall(PetscFree(tao->data)); /* Holding locations of pdipm */
1480 
1481   /* Destroy Dual */
1482   PetscCall(VecDestroy(&tao->DE)); /* equality dual */
1483   PetscCall(VecDestroy(&tao->DI)); /* dinequality dual */
1484   PetscFunctionReturn(0);
1485 }
1486 
1487 PetscErrorCode TaoSetFromOptions_PDIPM(PetscOptionItems *PetscOptionsObject,Tao tao)
1488 {
1489   TAO_PDIPM      *pdipm = (TAO_PDIPM*)tao->data;
1490 
1491   PetscFunctionBegin;
1492   PetscOptionsHeadBegin(PetscOptionsObject,"PDIPM method for constrained optimization");
1493   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));
1494   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));
1495   PetscCall(PetscOptionsBool("-tao_pdipm_solve_reduced_kkt","Solve reduced KKT system using Schur-complement",NULL,pdipm->solve_reduced_kkt,&pdipm->solve_reduced_kkt,NULL));
1496   PetscCall(PetscOptionsReal("-tao_pdipm_mu_update_factor","Update scalar for barrier parameter (mu) update",NULL,pdipm->mu_update_factor,&pdipm->mu_update_factor,NULL));
1497   PetscCall(PetscOptionsBool("-tao_pdipm_symmetric_kkt","Solve non reduced symmetric KKT system",NULL,pdipm->solve_symmetric_kkt,&pdipm->solve_symmetric_kkt,NULL));
1498   PetscCall(PetscOptionsBool("-tao_pdipm_kkt_shift_pd","Add shifts to make KKT matrix positive definite",NULL,pdipm->kkt_pd,&pdipm->kkt_pd,NULL));
1499   PetscOptionsHeadEnd();
1500   PetscFunctionReturn(0);
1501 }
1502 
1503 /*MC
1504   TAOPDIPM - Barrier-based primal-dual interior point algorithm for generally constrained optimization.
1505 
1506   Option Database Keys:
1507 +   -tao_pdipm_push_init_lambdai - parameter to push initial dual variables away from bounds (> 0)
1508 .   -tao_pdipm_push_init_slack - parameter to push initial slack variables away from bounds (> 0)
1509 .   -tao_pdipm_mu_update_factor - update scalar for barrier parameter (mu) update (> 0)
1510 .   -tao_pdipm_symmetric_kkt - Solve non-reduced symmetric KKT system
1511 -   -tao_pdipm_kkt_shift_pd - Add shifts to make KKT matrix positive definite
1512 
1513   Level: beginner
1514 M*/
1515 PETSC_EXTERN PetscErrorCode TaoCreate_PDIPM(Tao tao)
1516 {
1517   TAO_PDIPM      *pdipm;
1518 
1519   PetscFunctionBegin;
1520   tao->ops->setup          = TaoSetup_PDIPM;
1521   tao->ops->solve          = TaoSolve_PDIPM;
1522   tao->ops->setfromoptions = TaoSetFromOptions_PDIPM;
1523   tao->ops->view           = TaoView_PDIPM;
1524   tao->ops->destroy        = TaoDestroy_PDIPM;
1525 
1526   PetscCall(PetscNewLog(tao,&pdipm));
1527   tao->data = (void*)pdipm;
1528 
1529   pdipm->nx      = pdipm->Nx      = 0;
1530   pdipm->nxfixed = pdipm->Nxfixed = 0;
1531   pdipm->nxlb    = pdipm->Nxlb    = 0;
1532   pdipm->nxub    = pdipm->Nxub    = 0;
1533   pdipm->nxbox   = pdipm->Nxbox   = 0;
1534   pdipm->nxfree  = pdipm->Nxfree  = 0;
1535 
1536   pdipm->ng = pdipm->Ng = pdipm->nce = pdipm->Nce = 0;
1537   pdipm->nh = pdipm->Nh = pdipm->nci = pdipm->Nci = 0;
1538   pdipm->n  = pdipm->N  = 0;
1539   pdipm->mu = 1.0;
1540   pdipm->mu_update_factor = 0.1;
1541 
1542   pdipm->deltaw     = 0.0;
1543   pdipm->lastdeltaw = 3*1.e-4;
1544   pdipm->deltac     = 0.0;
1545   pdipm->kkt_pd     = PETSC_FALSE;
1546 
1547   pdipm->push_init_slack     = 1.0;
1548   pdipm->push_init_lambdai   = 1.0;
1549   pdipm->solve_reduced_kkt   = PETSC_FALSE;
1550   pdipm->solve_symmetric_kkt = PETSC_TRUE;
1551 
1552   /* Override default settings (unless already changed) */
1553   if (!tao->max_it_changed) tao->max_it = 200;
1554   if (!tao->max_funcs_changed) tao->max_funcs = 500;
1555 
1556   PetscCall(SNESCreate(((PetscObject)tao)->comm,&pdipm->snes));
1557   PetscCall(SNESSetOptionsPrefix(pdipm->snes,tao->hdr.prefix));
1558   PetscCall(SNESGetKSP(pdipm->snes,&tao->ksp));
1559   PetscCall(PetscObjectReference((PetscObject)tao->ksp));
1560   PetscCall(KSPSetApplicationContext(tao->ksp,(void *)tao));
1561   PetscFunctionReturn(0);
1562 }
1563