xref: /petsc/src/snes/impls/qn/qn.c (revision 1efc8c45c259937d6f4dbbf3aad1b95fd7efe6aa)
1 #include <petsc-private/snesimpl.h> /*I "petscsnes.h" I*/
2 
3 #define H(i,j)  qn->dXdFmat[i*qn->m + j]
4 
5 const char *const SNESQNScaleTypes[] =        {"DEFAULT","NONE","SHANNO","LINESEARCH","JACOBIAN","SNESQNScaleType","SNES_QN_SCALING_",0};
6 const char *const SNESQNRestartTypes[] =      {"DEFAULT","NONE","POWELL","PERIODIC","SNESQNRestartType","SNES_QN_RESTART_",0};
7 const char *const SNESQNTypes[] =             {"LBFGS","BROYDEN","BADBROYDEN","SNESQNType","SNES_QN_",0};
8 
9 typedef struct {
10   Vec               *U;                   /* Stored past states (vary from method to method) */
11   Vec               *V;                   /* Stored past states (vary from method to method) */
12   PetscInt          m;                    /* The number of kept previous steps */
13   PetscReal         *lambda;              /* The line search history of the method */
14   PetscReal         *norm;                /* norms of the steps */
15   PetscScalar       *alpha, *beta;
16   PetscScalar       *dXtdF, *dFtdX, *YtdX;
17   PetscBool         singlereduction;      /* Aggregated reduction implementation */
18   PetscScalar       *dXdFmat;             /* A matrix of values for dX_i dot dF_j */
19   PetscViewer       monitor;
20   PetscReal         powell_gamma;         /* Powell angle restart condition */
21   PetscReal         powell_downhill;      /* Powell descent restart condition */
22   PetscReal         scaling;              /* scaling of H0 */
23   SNESQNType        type;                 /* the type of quasi-newton method used */
24   SNESQNScaleType   scale_type;           /* the type of scaling used */
25   SNESQNRestartType restart_type;         /* determine the frequency and type of restart conditions */
26 } SNES_QN;
27 
28 #undef __FUNCT__
29 #define __FUNCT__ "SNESQNApply_Broyden"
30 PetscErrorCode SNESQNApply_Broyden(SNES snes,PetscInt it,Vec Y,Vec X,Vec Xold,Vec D)
31 {
32   PetscErrorCode     ierr;
33   SNES_QN            *qn = (SNES_QN*)snes->data;
34   Vec                W   = snes->work[3];
35   Vec                *U  = qn->U;
36   KSPConvergedReason kspreason;
37   PetscInt           m = qn->m;
38   PetscInt           k,i,j,lits,l = m;
39   PetscReal          unorm,a,b;
40   PetscReal          *lambda=qn->lambda;
41   PetscScalar        gdot;
42   PetscReal          udot;
43 
44   PetscFunctionBegin;
45   if (it < m) l = it;
46   if (it > 0) {
47     k = (it-1)%l;
48     ierr = SNESLineSearchGetLambda(snes->linesearch,&lambda[k]);CHKERRQ(ierr);
49     ierr = VecCopy(Xold,U[k]);CHKERRQ(ierr);
50     ierr = VecAXPY(U[k],-1.0,X);CHKERRQ(ierr);
51     if (qn->monitor) {
52       ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
53       ierr = PetscViewerASCIIPrintf(qn->monitor, "scaling vector %d of %d by lambda: %14.12e \n",k,l,lambda[k]);CHKERRQ(ierr);
54       ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
55     }
56   }
57   if (qn->scale_type == SNES_QN_SCALE_JACOBIAN) {
58     ierr = KSPSolve(snes->ksp,D,W);CHKERRQ(ierr);
59     ierr = KSPGetConvergedReason(snes->ksp,&kspreason);CHKERRQ(ierr);
60     if (kspreason < 0) {
61       if (++snes->numLinearSolveFailures >= snes->maxLinearSolveFailures) {
62         ierr         = PetscInfo2(snes,"iter=%D, number linear solve failures %D greater than current SNES allowed, stopping solve\n",snes->iter,snes->numLinearSolveFailures);CHKERRQ(ierr);
63         snes->reason = SNES_DIVERGED_LINEAR_SOLVE;
64         PetscFunctionReturn(0);
65       }
66     }
67     ierr              = KSPGetIterationNumber(snes->ksp,&lits);CHKERRQ(ierr);
68     snes->linear_its += lits;
69     ierr              = VecCopy(W,Y);CHKERRQ(ierr);
70   } else {
71     ierr = VecCopy(D,Y);CHKERRQ(ierr);
72     ierr = VecScale(Y,qn->scaling);CHKERRQ(ierr);
73   }
74 
75   /* inward recursion starting at the first update and working forward */
76   for (i = 0; i < l-1; i++) {
77     j = (it+i-l)%l;
78     k = (it+i-l+1)%l;
79     ierr = VecNorm(U[j],NORM_2,&unorm);CHKERRQ(ierr);
80     ierr = VecDot(U[j],Y,&gdot);CHKERRQ(ierr);
81     unorm *= unorm;
82     udot = PetscRealPart(gdot);
83     a = (lambda[j]/lambda[k]);
84     b = -(1.-lambda[j]);
85     a *= udot/unorm;
86     b *= udot/unorm;
87     ierr = VecAXPBYPCZ(Y,a,b,1.,U[k],U[j]);CHKERRQ(ierr);
88 
89     if (qn->monitor) {
90       ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
91       ierr = PetscViewerASCIIPrintf(qn->monitor, "using vector %d and %d, gdot: %14.12e\n",k,j,gdot);CHKERRQ(ierr);
92       ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
93     }
94   }
95   if (l > 0) {
96     k = (it-1)%l;
97     ierr = VecDot(U[k],Y,&gdot);CHKERRQ(ierr);
98     ierr = VecNorm(U[k],NORM_2,&unorm);CHKERRQ(ierr);
99     unorm *= unorm;
100     udot = PetscRealPart(gdot);
101     a = unorm/(unorm-lambda[k]*udot);
102     b = -(1.-lambda[k])*udot/(unorm-lambda[k]*udot);
103     if (qn->monitor) {
104       ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
105       ierr = PetscViewerASCIIPrintf(qn->monitor, "using vector %d: a: %14.12e b: %14.12e \n",k,a,b);CHKERRQ(ierr);
106       ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
107     }
108     ierr = VecAXPBY(Y,b,a,U[k]);CHKERRQ(ierr);
109   }
110   l = m;
111   if (it+1<m)l=it+1;
112   k = it%l;
113   if (qn->monitor) {
114     ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
115     ierr = PetscViewerASCIIPrintf(qn->monitor, "setting vector %d of %d\n",k,l);CHKERRQ(ierr);
116     ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
117   }
118   PetscFunctionReturn(0);
119 }
120 
121 #undef __FUNCT__
122 #define __FUNCT__ "SNESQNApply_BadBroyden"
123 PetscErrorCode SNESQNApply_BadBroyden(SNES snes,PetscInt it,Vec Y,Vec X,Vec Xold,Vec D,Vec Dold)
124 {
125   PetscErrorCode ierr;
126   SNES_QN        *qn = (SNES_QN*)snes->data;
127   Vec            W   = snes->work[3];
128   Vec            *U  = qn->U;
129   Vec            *T  = qn->V;
130 
131   /* ksp thing for jacobian scaling */
132   KSPConvergedReason kspreason;
133   PetscInt           h,k,j,i,lits;
134   PetscInt           m = qn->m;
135   PetscScalar        gdot,udot;
136   PetscInt           l = m;
137 
138   PetscFunctionBegin;
139   if (it < m) l = it;
140   ierr = VecCopy(D,Y);CHKERRQ(ierr);
141   if (l > 0) {
142     k    = (it-1)%l;
143     ierr = SNESLineSearchGetLambda(snes->linesearch,&qn->lambda[k]);CHKERRQ(ierr);
144     ierr = VecCopy(Dold,U[k]);CHKERRQ(ierr);
145     ierr = VecAXPY(U[k],-1.0,D);CHKERRQ(ierr);
146     ierr = VecCopy(Xold,T[k]);CHKERRQ(ierr);
147     ierr = VecAXPY(T[k],-1.0,X);CHKERRQ(ierr);
148   }
149 
150   if (qn->scale_type == SNES_QN_SCALE_JACOBIAN) {
151     ierr = KSPSolve(snes->ksp,Y,W);CHKERRQ(ierr);
152     ierr = KSPGetConvergedReason(snes->ksp,&kspreason);CHKERRQ(ierr);
153     if (kspreason < 0) {
154       if (++snes->numLinearSolveFailures >= snes->maxLinearSolveFailures) {
155         ierr         = PetscInfo2(snes,"iter=%D, number linear solve failures %D greater than current SNES allowed, stopping solve\n",snes->iter,snes->numLinearSolveFailures);CHKERRQ(ierr);
156         snes->reason = SNES_DIVERGED_LINEAR_SOLVE;
157         PetscFunctionReturn(0);
158       }
159     }
160     ierr              = KSPGetIterationNumber(snes->ksp,&lits);CHKERRQ(ierr);
161     snes->linear_its += lits;
162     ierr              = VecCopy(W,Y);CHKERRQ(ierr);
163   } else {
164     ierr = VecScale(Y,qn->scaling);CHKERRQ(ierr);
165   }
166 
167   /* inward recursion starting at the first update and working forward */
168   if (l > 0) {
169     for (i = 0; i < l-1; i++) {
170       j    = (it+i-l)%l;
171       k    = (it+i-l+1)%l;
172       h    = (it-1)%l;
173       ierr = VecDotBegin(U[j],U[h],&gdot);CHKERRQ(ierr);
174       ierr = VecDotBegin(U[j],U[j],&udot);CHKERRQ(ierr);
175       ierr = VecDotEnd(U[j],U[h],&gdot);CHKERRQ(ierr);
176       ierr = VecDotEnd(U[j],U[j],&udot);CHKERRQ(ierr);
177       ierr = VecAXPY(Y,PetscRealPart(gdot)/PetscRealPart(udot),T[k]);CHKERRQ(ierr);
178       ierr = VecAXPY(Y,-(1.-qn->lambda[k])*PetscRealPart(gdot)/PetscRealPart(udot),T[j]);CHKERRQ(ierr);
179       if (qn->monitor) {
180         ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
181         ierr = PetscViewerASCIIPrintf(qn->monitor, "it: %d k: %d gdot: %14.12e\n", it, k, PetscRealPart(gdot));CHKERRQ(ierr);
182         ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
183       }
184     }
185   }
186   PetscFunctionReturn(0);
187 }
188 
189 #undef __FUNCT__
190 #define __FUNCT__ "SNESQNApply_LBFGS"
191 PetscErrorCode SNESQNApply_LBFGS(SNES snes,PetscInt it,Vec Y,Vec X,Vec Xold,Vec D,Vec Dold)
192 {
193   PetscErrorCode ierr;
194   SNES_QN        *qn    = (SNES_QN*)snes->data;
195   Vec            W      = snes->work[3];
196   Vec            *dX    = qn->U;
197   Vec            *dF    = qn->V;
198   PetscScalar    *alpha = qn->alpha;
199   PetscScalar    *beta  = qn->beta;
200   PetscScalar    *dXtdF = qn->dXtdF;
201   PetscScalar    *dFtdX = qn->dFtdX;
202   PetscScalar    *YtdX  = qn->YtdX;
203 
204   /* ksp thing for jacobian scaling */
205   KSPConvergedReason kspreason;
206   PetscInt           k,i,j,g,lits;
207   PetscInt           m = qn->m;
208   PetscScalar        t;
209   PetscInt           l = m;
210 
211   PetscFunctionBegin;
212   if (it < m) l = it;
213   ierr = VecCopy(D,Y);CHKERRQ(ierr);
214   if (it > 0) {
215     k    = (it - 1) % l;
216     ierr = VecCopy(D,dF[k]);CHKERRQ(ierr);
217     ierr = VecAXPY(dF[k], -1.0, Dold);CHKERRQ(ierr);
218     ierr = VecCopy(X, dX[k]);CHKERRQ(ierr);
219     ierr = VecAXPY(dX[k], -1.0, Xold);CHKERRQ(ierr);
220     if (qn->singlereduction) {
221       ierr = VecMDotBegin(dF[k],l,dX,dXtdF);CHKERRQ(ierr);
222       ierr = VecMDotBegin(dX[k],l,dF,dFtdX);CHKERRQ(ierr);
223       ierr = VecMDotBegin(Y,l,dX,YtdX);CHKERRQ(ierr);
224       ierr = VecMDotEnd(dF[k],l,dX,dXtdF);CHKERRQ(ierr);
225       ierr = VecMDotEnd(dX[k],l,dF,dFtdX);CHKERRQ(ierr);
226       ierr = VecMDotEnd(Y,l,dX,YtdX);CHKERRQ(ierr);
227       for (j = 0; j < l; j++) {
228         H(k, j) = dFtdX[j];
229         H(j, k) = dXtdF[j];
230       }
231       /* copy back over to make the computation of alpha and beta easier */
232       for (j = 0; j < l; j++) dXtdF[j] = H(j, j);
233     } else {
234       ierr = VecDot(dX[k], dF[k], &dXtdF[k]);CHKERRQ(ierr);
235     }
236     if (qn->scale_type == SNES_QN_SCALE_LINESEARCH) {
237       ierr = SNESLineSearchGetLambda(snes->linesearch,&qn->scaling);CHKERRQ(ierr);
238     }
239   }
240 
241   /* outward recursion starting at iteration k's update and working back */
242   for (i=0; i<l; i++) {
243     k = (it-i-1)%l;
244     if (qn->singlereduction) {
245       /* construct t = dX[k] dot Y as Y_0 dot dX[k] + sum(-alpha[j]dX[k]dF[j]) */
246       t = YtdX[k];
247       for (j=0; j<i; j++) {
248         g  = (it-j-1)%l;
249         t -= alpha[g]*H(k, g);
250       }
251       alpha[k] = t/H(k,k);
252     } else {
253       ierr     = VecDot(dX[k],Y,&t);CHKERRQ(ierr);
254       alpha[k] = t/dXtdF[k];
255     }
256     if (qn->monitor) {
257       ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
258       ierr = PetscViewerASCIIPrintf(qn->monitor, "it: %d k: %d alpha:        %14.12e\n", it, k, PetscRealPart(alpha[k]));CHKERRQ(ierr);
259       ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
260     }
261     ierr = VecAXPY(Y,-alpha[k],dF[k]);CHKERRQ(ierr);
262   }
263 
264   if (qn->scale_type == SNES_QN_SCALE_JACOBIAN) {
265     ierr = KSPSolve(snes->ksp,Y,W);CHKERRQ(ierr);
266     ierr = KSPGetConvergedReason(snes->ksp,&kspreason);CHKERRQ(ierr);
267     if (kspreason < 0) {
268       if (++snes->numLinearSolveFailures >= snes->maxLinearSolveFailures) {
269         ierr         = PetscInfo2(snes,"iter=%D, number linear solve failures %D greater than current SNES allowed, stopping solve\n",snes->iter,snes->numLinearSolveFailures);CHKERRQ(ierr);
270         snes->reason = SNES_DIVERGED_LINEAR_SOLVE;
271         PetscFunctionReturn(0);
272       }
273     }
274     ierr              = KSPGetIterationNumber(snes->ksp,&lits);CHKERRQ(ierr);
275     snes->linear_its += lits;
276     ierr              = VecCopy(W, Y);CHKERRQ(ierr);
277   } else {
278     ierr = VecScale(Y, qn->scaling);CHKERRQ(ierr);
279   }
280   if (qn->singlereduction) {
281     ierr = VecMDot(Y,l,dF,YtdX);CHKERRQ(ierr);
282   }
283   /* inward recursion starting at the first update and working forward */
284   for (i = 0; i < l; i++) {
285     k = (it + i - l) % l;
286     if (qn->singlereduction) {
287       t = YtdX[k];
288       for (j = 0; j < i; j++) {
289         g  = (it + j - l) % l;
290         t += (alpha[g] - beta[g])*H(g, k);
291       }
292       beta[k] = t / H(k, k);
293     } else {
294       ierr    = VecDot(dF[k], Y, &t);CHKERRQ(ierr);
295       beta[k] = t / dXtdF[k];
296     }
297     ierr = VecAXPY(Y, (alpha[k] - beta[k]), dX[k]);CHKERRQ(ierr);
298     if (qn->monitor) {
299       ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
300       ierr = PetscViewerASCIIPrintf(qn->monitor, "it: %d k: %d alpha - beta: %14.12e\n", it, k, PetscRealPart(alpha[k] - beta[k]));CHKERRQ(ierr);
301       ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
302     }
303   }
304   PetscFunctionReturn(0);
305 }
306 
307 #undef __FUNCT__
308 #define __FUNCT__ "SNESSolve_QN"
309 static PetscErrorCode SNESSolve_QN(SNES snes)
310 {
311   PetscErrorCode      ierr;
312   SNES_QN             *qn = (SNES_QN*) snes->data;
313   Vec                 X,Xold;
314   Vec                 F,W;
315   Vec                 Y,D,Dold;
316   PetscInt            i, i_r;
317   PetscReal           fnorm,xnorm,ynorm,gnorm;
318   PetscBool           lssucceed,powell,periodic;
319   PetscScalar         DolddotD,DolddotDold;
320   MatStructure        flg = DIFFERENT_NONZERO_PATTERN;
321   SNESConvergedReason reason;
322 
323   /* basically just a regular newton's method except for the application of the jacobian */
324 
325   PetscFunctionBegin;
326   F    = snes->vec_func;                /* residual vector */
327   Y    = snes->vec_sol_update;          /* search direction generated by J^-1D*/
328   W    = snes->work[3];
329   X    = snes->vec_sol;                 /* solution vector */
330   Xold = snes->work[0];
331 
332   /* directions generated by the preconditioned problem with F_pre = F or x - M(x, b) */
333   D    = snes->work[1];
334   Dold = snes->work[2];
335 
336   snes->reason = SNES_CONVERGED_ITERATING;
337 
338   ierr       = PetscObjectAMSTakeAccess((PetscObject)snes);CHKERRQ(ierr);
339   snes->iter = 0;
340   snes->norm = 0.;
341   ierr       = PetscObjectAMSGrantAccess((PetscObject)snes);CHKERRQ(ierr);
342 
343   if (snes->pc && snes->pcside == PC_LEFT && snes->functype == SNES_FUNCTION_PRECONDITIONED) {
344     ierr = SNESApplyPC(snes,X,NULL,NULL,F);CHKERRQ(ierr);
345     ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr);
346     if (reason < 0  && reason != SNES_DIVERGED_MAX_IT) {
347       snes->reason = SNES_DIVERGED_INNER;
348       PetscFunctionReturn(0);
349     }
350     ierr = VecNorm(F,NORM_2,&fnorm);CHKERRQ(ierr);
351   } else {
352     if (!snes->vec_func_init_set) {
353       ierr = SNESComputeFunction(snes,X,F);CHKERRQ(ierr);
354       if (snes->domainerror) {
355         snes->reason = SNES_DIVERGED_FUNCTION_DOMAIN;
356         PetscFunctionReturn(0);
357       }
358     } else snes->vec_func_init_set = PETSC_FALSE;
359 
360     ierr = VecNorm(F,NORM_2,&fnorm);CHKERRQ(ierr);
361     if (PetscIsInfOrNanReal(fnorm)) {
362       snes->reason = SNES_DIVERGED_FNORM_NAN;
363       PetscFunctionReturn(0);
364     }
365   }
366   if (snes->pc && snes->pcside == PC_LEFT && snes->functype == SNES_FUNCTION_UNPRECONDITIONED) {
367       ierr = SNESApplyPC(snes,X,F,&fnorm,D);CHKERRQ(ierr);
368       ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr);
369       if (reason < 0  && reason != SNES_DIVERGED_MAX_IT) {
370         snes->reason = SNES_DIVERGED_INNER;
371         PetscFunctionReturn(0);
372       }
373   } else {
374     ierr = VecCopy(F,D);CHKERRQ(ierr);
375   }
376 
377   ierr       = PetscObjectAMSTakeAccess((PetscObject)snes);CHKERRQ(ierr);
378   snes->norm = fnorm;
379   ierr       = PetscObjectAMSGrantAccess((PetscObject)snes);CHKERRQ(ierr);
380   ierr       = SNESLogConvergenceHistory(snes,fnorm,0);CHKERRQ(ierr);
381   ierr       = SNESMonitor(snes,0,fnorm);CHKERRQ(ierr);
382 
383   /* test convergence */
384   ierr = (*snes->ops->converged)(snes,0,0.0,0.0,fnorm,&snes->reason,snes->cnvP);CHKERRQ(ierr);
385   if (snes->reason) PetscFunctionReturn(0);
386 
387   if (snes->pc && snes->pcside == PC_RIGHT) {
388     ierr = PetscLogEventBegin(SNES_NPCSolve,snes->pc,X,0,0);CHKERRQ(ierr);
389     ierr = SNESSolve(snes->pc,snes->vec_rhs,X);CHKERRQ(ierr);
390     ierr = PetscLogEventEnd(SNES_NPCSolve,snes->pc,X,0,0);CHKERRQ(ierr);
391     ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr);
392     if (reason < 0 && reason != SNES_DIVERGED_MAX_IT) {
393       snes->reason = SNES_DIVERGED_INNER;
394       PetscFunctionReturn(0);
395     }
396     ierr = SNESGetPCFunction(snes,F,&fnorm);CHKERRQ(ierr);
397     ierr = VecCopy(F,D);CHKERRQ(ierr);
398   }
399 
400   /* scale the initial update */
401   if (qn->scale_type == SNES_QN_SCALE_JACOBIAN) {
402     ierr = SNESComputeJacobian(snes,X,&snes->jacobian,&snes->jacobian_pre,&flg);CHKERRQ(ierr);
403     ierr = KSPSetOperators(snes->ksp,snes->jacobian,snes->jacobian_pre,flg);CHKERRQ(ierr);
404   }
405 
406   for (i = 0, i_r = 0; i < snes->max_its; i++, i_r++) {
407     if (qn->scale_type == SNES_QN_SCALE_SHANNO && i_r > 0) {
408       PetscScalar ff,xf;
409       ierr = VecCopy(Dold,Y);CHKERRQ(ierr);
410       ierr = VecCopy(Xold,W);CHKERRQ(ierr);
411       ierr = VecAXPY(Y,-1.0,D);CHKERRQ(ierr);
412       ierr = VecAXPY(W,-1.0,X);CHKERRQ(ierr);
413       ierr = VecDotBegin(Y,Y,&ff);CHKERRQ(ierr);
414       ierr = VecDotBegin(W,Y,&xf);CHKERRQ(ierr);
415       ierr = VecDotEnd(Y,Y,&ff);CHKERRQ(ierr);
416       ierr = VecDotEnd(W,Y,&xf);CHKERRQ(ierr);
417       qn->scaling = PetscRealPart(xf)/PetscRealPart(ff);
418     }
419     switch (qn->type) {
420     case SNES_QN_BADBROYDEN:
421       ierr = SNESQNApply_BadBroyden(snes,i_r,Y,X,Xold,D,Dold);CHKERRQ(ierr);
422       break;
423     case SNES_QN_BROYDEN:
424       ierr = SNESQNApply_Broyden(snes,i_r,Y,X,Xold,D);CHKERRQ(ierr);
425       break;
426     case SNES_QN_LBFGS:
427       SNESQNApply_LBFGS(snes,i_r,Y,X,Xold,D,Dold);CHKERRQ(ierr);
428       break;
429     }
430     /* line search for lambda */
431     ynorm = 1; gnorm = fnorm;
432     ierr  = VecCopy(D, Dold);CHKERRQ(ierr);
433     ierr  = VecCopy(X, Xold);CHKERRQ(ierr);
434     ierr  = SNESLineSearchApply(snes->linesearch, X, F, &fnorm, Y);CHKERRQ(ierr);
435     if (snes->reason == SNES_DIVERGED_FUNCTION_COUNT) break;
436     if (snes->domainerror) {
437       snes->reason = SNES_DIVERGED_FUNCTION_DOMAIN;
438       PetscFunctionReturn(0);
439     }
440     ierr = SNESLineSearchGetSuccess(snes->linesearch, &lssucceed);CHKERRQ(ierr);
441     if (!lssucceed) {
442       if (++snes->numFailures >= snes->maxFailures) {
443         snes->reason = SNES_DIVERGED_LINE_SEARCH;
444         break;
445       }
446     }
447     ierr = SNESLineSearchGetNorms(snes->linesearch, &xnorm, &fnorm, &ynorm);CHKERRQ(ierr);
448     if (qn->scale_type == SNES_QN_SCALE_LINESEARCH) {
449       ierr = SNESLineSearchGetLambda(snes->linesearch, &qn->scaling);CHKERRQ(ierr);
450     }
451 
452     /* convergence monitoring */
453     ierr = PetscInfo4(snes,"fnorm=%18.16e, gnorm=%18.16e, ynorm=%18.16e, lssucceed=%d\n",(double)fnorm,(double)gnorm,(double)ynorm,(int)lssucceed);CHKERRQ(ierr);
454 
455     if (snes->pc && snes->pcside == PC_RIGHT) {
456       ierr = PetscLogEventBegin(SNES_NPCSolve,snes->pc,X,0,0);CHKERRQ(ierr);
457       ierr = SNESSolve(snes->pc,snes->vec_rhs,X);CHKERRQ(ierr);
458       ierr = PetscLogEventEnd(SNES_NPCSolve,snes->pc,X,0,0);CHKERRQ(ierr);
459       ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr);
460       if (reason < 0 && reason != SNES_DIVERGED_MAX_IT) {
461         snes->reason = SNES_DIVERGED_INNER;
462         PetscFunctionReturn(0);
463       }
464       ierr = SNESGetPCFunction(snes,F,&fnorm);CHKERRQ(ierr);
465     }
466 
467     ierr = SNESSetIterationNumber(snes, i+1);CHKERRQ(ierr);
468     ierr = SNESSetFunctionNorm(snes, fnorm);CHKERRQ(ierr);
469 
470     ierr = SNESLogConvergenceHistory(snes,snes->norm,snes->iter);CHKERRQ(ierr);
471     ierr = SNESMonitor(snes,snes->iter,snes->norm);CHKERRQ(ierr);
472     /* set parameter for default relative tolerance convergence test */
473     ierr = (*snes->ops->converged)(snes,snes->iter,xnorm,ynorm,fnorm,&snes->reason,snes->cnvP);CHKERRQ(ierr);
474     if (snes->reason) PetscFunctionReturn(0);
475     if (snes->pc && snes->pcside == PC_LEFT && snes->functype == SNES_FUNCTION_UNPRECONDITIONED) {
476       ierr = SNESApplyPC(snes,X,F,&fnorm,D);CHKERRQ(ierr);
477       ierr = SNESGetConvergedReason(snes->pc,&reason);CHKERRQ(ierr);
478       if (reason < 0  && reason != SNES_DIVERGED_MAX_IT) {
479         snes->reason = SNES_DIVERGED_INNER;
480         PetscFunctionReturn(0);
481       }
482     } else {
483       ierr = VecCopy(F, D);CHKERRQ(ierr);
484     }
485     powell = PETSC_FALSE;
486     if (qn->restart_type == SNES_QN_RESTART_POWELL) {
487       /* check restart by Powell's Criterion: |F^T H_0 Fold| > 0.2 * |Fold^T H_0 Fold| */
488       if (qn->scale_type == SNES_QN_SCALE_JACOBIAN) {
489         ierr = MatMult(snes->jacobian_pre,Dold,W);CHKERRQ(ierr);
490       } else {
491         ierr = VecCopy(Dold,W);CHKERRQ(ierr);
492       }
493       ierr = VecDotBegin(W, Dold, &DolddotDold);CHKERRQ(ierr);
494       ierr = VecDotBegin(W, D, &DolddotD);CHKERRQ(ierr);
495       ierr = VecDotEnd(W, Dold, &DolddotDold);CHKERRQ(ierr);
496       ierr = VecDotEnd(W, D, &DolddotD);CHKERRQ(ierr);
497       if (PetscAbs(PetscRealPart(DolddotD)) > qn->powell_gamma*PetscAbs(PetscRealPart(DolddotDold))) powell = PETSC_TRUE;
498     }
499     periodic = PETSC_FALSE;
500     if (qn->restart_type == SNES_QN_RESTART_PERIODIC) {
501       if (i_r>qn->m-1) periodic = PETSC_TRUE;
502     }
503     /* restart if either powell or periodic restart is satisfied. */
504     if (powell || periodic) {
505       if (qn->monitor) {
506         ierr = PetscViewerASCIIAddTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
507         ierr = PetscViewerASCIIPrintf(qn->monitor, "restart! |%14.12e| > %4.2f*|%14.12e| or i_r = %d\n", PetscRealPart(DolddotD), qn->powell_gamma, PetscRealPart(DolddotDold), i_r);CHKERRQ(ierr);
508         ierr = PetscViewerASCIISubtractTab(qn->monitor,((PetscObject)snes)->tablevel+2);CHKERRQ(ierr);
509       }
510       i_r = -1;
511       /* general purpose update */
512       if (snes->ops->update) {
513         ierr = (*snes->ops->update)(snes, snes->iter);CHKERRQ(ierr);
514       }
515       if (qn->scale_type == SNES_QN_SCALE_JACOBIAN) {
516         ierr = SNESComputeJacobian(snes,X,&snes->jacobian,&snes->jacobian_pre,&flg);CHKERRQ(ierr);
517         ierr = KSPSetOperators(snes->ksp,snes->jacobian,snes->jacobian_pre,flg);CHKERRQ(ierr);
518       }
519     }
520     /* general purpose update */
521     if (snes->ops->update) {
522       ierr = (*snes->ops->update)(snes, snes->iter);CHKERRQ(ierr);
523     }
524   }
525   if (i == snes->max_its) {
526     ierr = PetscInfo1(snes, "Maximum number of iterations has been reached: %D\n", snes->max_its);CHKERRQ(ierr);
527     if (!snes->reason) snes->reason = SNES_DIVERGED_MAX_IT;
528   }
529   PetscFunctionReturn(0);
530 }
531 
532 #undef __FUNCT__
533 #define __FUNCT__ "SNESSetUp_QN"
534 static PetscErrorCode SNESSetUp_QN(SNES snes)
535 {
536   SNES_QN        *qn = (SNES_QN*)snes->data;
537   PetscErrorCode ierr;
538 
539   PetscFunctionBegin;
540   ierr = VecDuplicateVecs(snes->vec_sol, qn->m, &qn->U);CHKERRQ(ierr);
541   if (qn->type != SNES_QN_BROYDEN) ierr = VecDuplicateVecs(snes->vec_sol, qn->m, &qn->V);CHKERRQ(ierr);
542   ierr = PetscMalloc4(qn->m, PetscScalar, &qn->alpha,
543                       qn->m, PetscScalar, &qn->beta,
544                       qn->m, PetscScalar, &qn->dXtdF,
545                       qn->m, PetscReal, &qn->lambda);CHKERRQ(ierr);
546 
547   if (qn->singlereduction) {
548     ierr = PetscMalloc3(qn->m*qn->m, PetscScalar, &qn->dXdFmat,
549                         qn->m, PetscScalar, &qn->dFtdX,
550                         qn->m, PetscScalar, &qn->YtdX);CHKERRQ(ierr);
551   }
552   ierr = SNESSetWorkVecs(snes,4);CHKERRQ(ierr);
553   /* set method defaults */
554   if (qn->scale_type == SNES_QN_SCALE_DEFAULT) {
555     if (qn->type == SNES_QN_BADBROYDEN) {
556       qn->scale_type = SNES_QN_SCALE_NONE;
557     } else {
558       qn->scale_type = SNES_QN_SCALE_SHANNO;
559     }
560   }
561   if (qn->restart_type == SNES_QN_RESTART_DEFAULT) {
562     if (qn->type == SNES_QN_LBFGS) {
563       qn->restart_type = SNES_QN_RESTART_POWELL;
564     } else {
565       qn->restart_type = SNES_QN_RESTART_PERIODIC;
566     }
567   }
568 
569   if (qn->scale_type == SNES_QN_SCALE_JACOBIAN) {
570     ierr = SNESSetUpMatrices(snes);CHKERRQ(ierr);
571   }
572   if (snes->pcside == PC_LEFT && snes->functype == SNES_FUNCTION_DEFAULT) {snes->functype = SNES_FUNCTION_UNPRECONDITIONED;}
573   PetscFunctionReturn(0);
574 }
575 
576 #undef __FUNCT__
577 #define __FUNCT__ "SNESReset_QN"
578 static PetscErrorCode SNESReset_QN(SNES snes)
579 {
580   PetscErrorCode ierr;
581   SNES_QN        *qn;
582 
583   PetscFunctionBegin;
584   if (snes->data) {
585     qn = (SNES_QN*)snes->data;
586     if (qn->U) {
587       ierr = VecDestroyVecs(qn->m, &qn->U);CHKERRQ(ierr);
588     }
589     if (qn->V) {
590       ierr = VecDestroyVecs(qn->m, &qn->V);CHKERRQ(ierr);
591     }
592     if (qn->singlereduction) {
593       ierr = PetscFree3(qn->dXdFmat, qn->dFtdX, qn->YtdX);CHKERRQ(ierr);
594     }
595     ierr = PetscFree4(qn->alpha,qn->beta,qn->dXtdF,qn->lambda);CHKERRQ(ierr);
596   }
597   PetscFunctionReturn(0);
598 }
599 
600 #undef __FUNCT__
601 #define __FUNCT__ "SNESDestroy_QN"
602 static PetscErrorCode SNESDestroy_QN(SNES snes)
603 {
604   PetscErrorCode ierr;
605 
606   PetscFunctionBegin;
607   ierr = SNESReset_QN(snes);CHKERRQ(ierr);
608   ierr = PetscFree(snes->data);CHKERRQ(ierr);
609   ierr = PetscObjectComposeFunction((PetscObject)snes,"",NULL);CHKERRQ(ierr);
610   PetscFunctionReturn(0);
611 }
612 
613 #undef __FUNCT__
614 #define __FUNCT__ "SNESSetFromOptions_QN"
615 static PetscErrorCode SNESSetFromOptions_QN(SNES snes)
616 {
617 
618   PetscErrorCode    ierr;
619   SNES_QN           *qn    = (SNES_QN*)snes->data;
620   PetscBool         monflg = PETSC_FALSE,flg;
621   SNESLineSearch    linesearch;
622   SNESQNRestartType rtype = qn->restart_type;
623   SNESQNScaleType   stype = qn->scale_type;
624   SNESQNType        qtype = qn->type;
625 
626   PetscFunctionBegin;
627   ierr = PetscOptionsHead("SNES QN options");CHKERRQ(ierr);
628   ierr = PetscOptionsInt("-snes_qn_m","Number of past states saved for L-BFGS methods","SNESQN",qn->m,&qn->m,NULL);CHKERRQ(ierr);
629   ierr = PetscOptionsReal("-snes_qn_powell_gamma","Powell angle tolerance",          "SNESQN", qn->powell_gamma, &qn->powell_gamma, NULL);CHKERRQ(ierr);
630   ierr = PetscOptionsReal("-snes_qn_powell_downhill","Powell descent tolerance",        "SNESQN", qn->powell_downhill, &qn->powell_downhill, NULL);CHKERRQ(ierr);
631   ierr = PetscOptionsBool("-snes_qn_monitor",         "Monitor for the QN methods",      "SNESQN", monflg, &monflg, NULL);CHKERRQ(ierr);
632   ierr = PetscOptionsBool("-snes_qn_single_reduction", "Aggregate reductions",           "SNESQN", qn->singlereduction, &qn->singlereduction, NULL);CHKERRQ(ierr);
633   ierr = PetscOptionsEnum("-snes_qn_scale_type","Scaling type","SNESQNSetScaleType",SNESQNScaleTypes,(PetscEnum)stype,(PetscEnum*)&stype,&flg);CHKERRQ(ierr);
634   if (flg) ierr = SNESQNSetScaleType(snes,stype);CHKERRQ(ierr);
635 
636   ierr = PetscOptionsEnum("-snes_qn_restart_type","Restart type","SNESQNSetRestartType",SNESQNRestartTypes,(PetscEnum)rtype,(PetscEnum*)&rtype,&flg);CHKERRQ(ierr);
637   if (flg) ierr = SNESQNSetRestartType(snes,rtype);CHKERRQ(ierr);
638 
639   ierr = PetscOptionsEnum("-snes_qn_type","Quasi-Newton update type","",SNESQNTypes,
640                           (PetscEnum)qtype,(PetscEnum*)&qtype,&flg);CHKERRQ(ierr);
641   if (flg) {ierr = SNESQNSetType(snes,qtype);CHKERRQ(ierr);}
642   ierr = PetscOptionsTail();CHKERRQ(ierr);
643   if (!snes->linesearch) {
644     ierr = SNESGetLineSearch(snes, &linesearch);CHKERRQ(ierr);
645     if (qn->type == SNES_QN_LBFGS) {
646       ierr = SNESLineSearchSetType(linesearch, SNESLINESEARCHCP);CHKERRQ(ierr);
647     } else if (qn->type == SNES_QN_BROYDEN) {
648       ierr = SNESLineSearchSetType(linesearch, SNESLINESEARCHBASIC);CHKERRQ(ierr);
649     } else {
650       ierr = SNESLineSearchSetType(linesearch, SNESLINESEARCHL2);CHKERRQ(ierr);
651     }
652   }
653   if (monflg) {
654     qn->monitor = PETSC_VIEWER_STDOUT_(PetscObjectComm((PetscObject)snes));CHKERRQ(ierr);
655   }
656   PetscFunctionReturn(0);
657 }
658 
659 
660 #undef __FUNCT__
661 #define __FUNCT__ "SNESQNSetRestartType"
662 /*@
663     SNESQNSetRestartType - Sets the restart type for SNESQN.
664 
665     Logically Collective on SNES
666 
667     Input Parameters:
668 +   snes - the iterative context
669 -   rtype - restart type
670 
671     Options Database:
672 +   -snes_qn_restart_type<powell,periodic,none> - set the restart type
673 -   -snes_qn_restart[10] - sets the number of iterations before restart for periodic
674 
675     Level: intermediate
676 
677     SNESQNRestartTypes:
678 +   SNES_QN_RESTART_NONE - never restart
679 .   SNES_QN_RESTART_POWELL - restart based upon descent criteria
680 -   SNES_QN_RESTART_PERIODIC - restart after a fixed number of iterations
681 
682     Notes:
683     The default line search used is the L2 line search and it requires two additional function evaluations.
684 
685 .keywords: SNES, SNESQN, restart, type, set SNESLineSearch
686 @*/
687 PetscErrorCode SNESQNSetRestartType(SNES snes, SNESQNRestartType rtype)
688 {
689   PetscErrorCode ierr;
690 
691   PetscFunctionBegin;
692   PetscValidHeaderSpecific(snes,SNES_CLASSID,1);
693   ierr = PetscTryMethod(snes,"SNESQNSetRestartType_C",(SNES,SNESQNRestartType),(snes,rtype));CHKERRQ(ierr);
694   PetscFunctionReturn(0);
695 }
696 
697 #undef __FUNCT__
698 #define __FUNCT__ "SNESQNSetScaleType"
699 /*@
700     SNESQNSetScaleType - Sets the scaling type for the inner inverse jacobian in SNESQN.
701 
702     Logically Collective on SNES
703 
704     Input Parameters:
705 +   snes - the iterative context
706 -   stype - scale type
707 
708     Options Database:
709 .   -snes_qn_scale_type<shanno,none,linesearch,jacobian>
710 
711     Level: intermediate
712 
713     SNESQNSelectTypes:
714 +   SNES_QN_SCALE_NONE - don't scale the problem
715 .   SNES_QN_SCALE_SHANNO - use shanno scaling
716 .   SNES_QN_SCALE_LINESEARCH - scale based upon line search lambda
717 -   SNES_QN_SCALE_JACOBIAN - scale by inverting a previously computed Jacobian.
718 
719 .keywords: SNES, SNESQN, scaling, type, set SNESLineSearch
720 @*/
721 
722 PetscErrorCode SNESQNSetScaleType(SNES snes, SNESQNScaleType stype)
723 {
724   PetscErrorCode ierr;
725 
726   PetscFunctionBegin;
727   PetscValidHeaderSpecific(snes,SNES_CLASSID,1);
728   ierr = PetscTryMethod(snes,"SNESQNSetScaleType_C",(SNES,SNESQNScaleType),(snes,stype));CHKERRQ(ierr);
729   PetscFunctionReturn(0);
730 }
731 
732 #undef __FUNCT__
733 #define __FUNCT__ "SNESQNSetScaleType_QN"
734 PetscErrorCode SNESQNSetScaleType_QN(SNES snes, SNESQNScaleType stype)
735 {
736   SNES_QN *qn = (SNES_QN*)snes->data;
737 
738   PetscFunctionBegin;
739   qn->scale_type = stype;
740   PetscFunctionReturn(0);
741 }
742 
743 #undef __FUNCT__
744 #define __FUNCT__ "SNESQNSetRestartType_QN"
745 PetscErrorCode SNESQNSetRestartType_QN(SNES snes, SNESQNRestartType rtype)
746 {
747   SNES_QN *qn = (SNES_QN*)snes->data;
748 
749   PetscFunctionBegin;
750   qn->restart_type = rtype;
751   PetscFunctionReturn(0);
752 }
753 
754 #undef __FUNCT__
755 #define __FUNCT__ "SNESQNSetType"
756 /*@
757     SNESQNSetType - Sets the quasi-Newton variant to be used in SNESQN.
758 
759     Logically Collective on SNES
760 
761     Input Parameters:
762 +   snes - the iterative context
763 -   qtype - variant type
764 
765     Options Database:
766 .   -snes_qn_scale_type<lbfgs,broyden,badbroyden>
767 
768     Level: beginner
769 
770     SNESQNTypes:
771 +   SNES_QN_LBFGS - LBFGS variant
772 .   SNES_QN_BROYDEN - Broyden variant
773 -   SNES_QN_BADBROYDEN - Bad Broyden variant
774 
775 .keywords: SNES, SNESQN, type, set
776 @*/
777 
778 PetscErrorCode SNESQNSetType(SNES snes, SNESQNType qtype)
779 {
780   PetscErrorCode ierr;
781 
782   PetscFunctionBegin;
783   PetscValidHeaderSpecific(snes,SNES_CLASSID,1);
784   ierr = PetscTryMethod(snes,"SNESQNSetType_C",(SNES,SNESQNType),(snes,qtype));CHKERRQ(ierr);
785   PetscFunctionReturn(0);
786 }
787 
788 #undef __FUNCT__
789 #define __FUNCT__ "SNESQNSetType_QN"
790 PetscErrorCode SNESQNSetType_QN(SNES snes, SNESQNType qtype)
791 {
792   SNES_QN *qn = (SNES_QN*)snes->data;
793 
794   PetscFunctionBegin;
795   qn->type = qtype;
796   PetscFunctionReturn(0);
797 }
798 
799 /* -------------------------------------------------------------------------- */
800 /*MC
801       SNESQN - Limited-Memory Quasi-Newton methods for the solution of nonlinear systems.
802 
803       Options Database:
804 
805 +     -snes_qn_m - Number of past states saved for the L-Broyden methods.
806 .     -snes_qn_powell_angle - Angle condition for restart.
807 .     -snes_qn_powell_descent - Descent condition for restart.
808 .     -snes_linesearch_type <cp, l2, basic> - Type of line search.
809 -     -snes_qn_monitor - Monitors the quasi-newton jacobian.
810 
811       Notes: This implements the L-BFGS, Broyden, and "Bad" Broyden algorithms for the solution of F(x) = b using
812       previous change in F(x) and x to form the approximate inverse Jacobian using a series of multiplicative rank-one
813       updates.
814 
815       When using a nonlinear preconditioner, one has two options as to how the preconditioner is applied.  The first of
816       these options, sequential, uses the preconditioner to generate a new solution and function and uses those at this
817       iteration as the current iteration's values when constructing the approximate jacobian.  The second, composed,
818       perturbs the problem the jacobian represents to be P(x, b) - x = 0, where P(x, b) is the preconditioner.
819 
820       References:
821 
822       Kelley, C.T., Iterative Methods for Linear and Nonlinear Equations, Chapter 8, SIAM, 1995.
823 
824       R. Byrd, J. Nocedal, R. Schnabel, Representations of Quasi-Newton Matrices and their use in Limited Memory Methods,
825       Technical Report, Northwestern University, June 1992.
826 
827       Peter N. Brown, Alan C. Hindmarsh, Homer F. Walker, Experiments with Quasi-Newton Methods in Solving Stiff ODE
828       Systems, SIAM J. Sci. Stat. Comput. Vol 6(2), April 1985.
829 
830 
831       Level: beginner
832 
833 .seealso:  SNESCreate(), SNES, SNESSetType(), SNESNEWTONLS, SNESNEWTONTR
834 
835 M*/
836 #undef __FUNCT__
837 #define __FUNCT__ "SNESCreate_QN"
838 PETSC_EXTERN PetscErrorCode SNESCreate_QN(SNES snes)
839 {
840   PetscErrorCode ierr;
841   SNES_QN        *qn;
842 
843   PetscFunctionBegin;
844   snes->ops->setup          = SNESSetUp_QN;
845   snes->ops->solve          = SNESSolve_QN;
846   snes->ops->destroy        = SNESDestroy_QN;
847   snes->ops->setfromoptions = SNESSetFromOptions_QN;
848   snes->ops->view           = 0;
849   snes->ops->reset          = SNESReset_QN;
850 
851   snes->pcside = PC_LEFT;
852 
853   snes->usespc  = PETSC_TRUE;
854   snes->usesksp = PETSC_FALSE;
855 
856   if (!snes->tolerancesset) {
857     snes->max_funcs = 30000;
858     snes->max_its   = 10000;
859   }
860 
861   ierr                = PetscNewLog(snes,SNES_QN,&qn);CHKERRQ(ierr);
862   snes->data          = (void*) qn;
863   qn->m               = 10;
864   qn->scaling         = 1.0;
865   qn->U               = NULL;
866   qn->V               = NULL;
867   qn->dXtdF           = NULL;
868   qn->dFtdX           = NULL;
869   qn->dXdFmat         = NULL;
870   qn->monitor         = NULL;
871   qn->singlereduction = PETSC_TRUE;
872   qn->powell_gamma    = 0.9999;
873   qn->scale_type      = SNES_QN_SCALE_DEFAULT;
874   qn->restart_type    = SNES_QN_RESTART_DEFAULT;
875   qn->type            = SNES_QN_LBFGS;
876 
877   ierr = PetscObjectComposeFunction((PetscObject)snes,"SNESQNSetScaleType_C",SNESQNSetScaleType_QN);CHKERRQ(ierr);
878   ierr = PetscObjectComposeFunction((PetscObject)snes,"SNESQNSetRestartType_C",SNESQNSetRestartType_QN);CHKERRQ(ierr);
879   ierr = PetscObjectComposeFunction((PetscObject)snes,"SNESQNSetType_C",SNESQNSetType_QN);CHKERRQ(ierr);
880   PetscFunctionReturn(0);
881 }
882