Actual source code: lobpcg.c
slepc-main 2024-11-15
1: /*
2: - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
3: SLEPc - Scalable Library for Eigenvalue Problem Computations
4: Copyright (c) 2002-, Universitat Politecnica de Valencia, Spain
6: This file is part of SLEPc.
7: SLEPc is distributed under a 2-clause BSD license (see LICENSE).
8: - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
9: */
10: /*
11: SLEPc eigensolver: "lobpcg"
13: Method: Locally Optimal Block Preconditioned Conjugate Gradient
15: Algorithm:
17: LOBPCG with soft and hard locking. Follows the implementation
18: in BLOPEX [2].
20: References:
22: [1] A. V. Knyazev, "Toward the optimal preconditioned eigensolver:
23: locally optimal block preconditioned conjugate gradient method",
24: SIAM J. Sci. Comput. 23(2):517-541, 2001.
26: [2] A. V. Knyazev et al., "Block Locally Optimal Preconditioned
27: Eigenvalue Xolvers (BLOPEX) in Hypre and PETSc", SIAM J. Sci.
28: Comput. 29(5):2224-2239, 2007.
29: */
31: #include <slepc/private/epsimpl.h>
33: typedef struct {
34: PetscInt bs; /* block size */
35: PetscBool lock; /* soft locking active/inactive */
36: PetscReal restart; /* restart parameter */
37: PetscInt guard; /* number of guard vectors */
38: } EPS_LOBPCG;
40: static PetscErrorCode EPSSetDimensions_LOBPCG(EPS eps,PetscInt nev,PetscInt *ncv,PetscInt *mpd)
41: {
42: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
43: PetscInt k;
45: PetscFunctionBegin;
46: k = PetscMax(3*ctx->bs,((eps->nev-1)/ctx->bs+3)*ctx->bs);
47: if (*ncv!=PETSC_DETERMINE) { /* ncv set */
48: PetscCheck(*ncv>=k,PetscObjectComm((PetscObject)eps),PETSC_ERR_USER_INPUT,"The value of ncv is not sufficiently large");
49: } else *ncv = k;
50: if (*mpd==PETSC_DETERMINE) *mpd = 3*ctx->bs;
51: else PetscCheck(*mpd==3*ctx->bs,PetscObjectComm((PetscObject)eps),PETSC_ERR_USER_INPUT,"This solver does not allow a value of mpd different from 3*blocksize");
52: PetscFunctionReturn(PETSC_SUCCESS);
53: }
55: static PetscErrorCode EPSSetUp_LOBPCG(EPS eps)
56: {
57: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
59: PetscFunctionBegin;
60: EPSCheckHermitianDefinite(eps);
61: EPSCheckNotStructured(eps);
62: if (!ctx->bs) ctx->bs = PetscMin(16,eps->nev);
63: PetscCheck(eps->n-eps->nds>=5*ctx->bs,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"The problem size is too small relative to the block size");
64: PetscCall(EPSSetDimensions_LOBPCG(eps,eps->nev,&eps->ncv,&eps->mpd));
65: if (eps->max_it==PETSC_DETERMINE) eps->max_it = PetscMax(100,2*eps->n/eps->ncv);
66: if (!eps->which) eps->which = EPS_SMALLEST_REAL;
67: PetscCheck(eps->which==EPS_SMALLEST_REAL || eps->which==EPS_LARGEST_REAL,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver supports only smallest real or largest real eigenvalues");
68: EPSCheckUnsupported(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_EXTRACTION);
69: EPSCheckIgnored(eps,EPS_FEATURE_BALANCE);
71: if (!ctx->restart) ctx->restart = 0.9;
73: /* number of guard vectors */
74: if (ctx->bs==1) ctx->guard = 0;
75: else ctx->guard = PetscMin((PetscInt)((1.0-ctx->restart)*ctx->bs+0.45),ctx->bs-1);
77: PetscCall(EPSAllocateSolution(eps,0));
78: PetscCall(EPS_SetInnerProduct(eps));
79: PetscCall(DSSetType(eps->ds,DSGHEP));
80: PetscCall(DSAllocate(eps->ds,eps->mpd));
81: PetscCall(EPSSetWorkVecs(eps,1));
82: PetscFunctionReturn(PETSC_SUCCESS);
83: }
85: static PetscErrorCode EPSSolve_LOBPCG(EPS eps)
86: {
87: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
88: PetscInt i,j,k,nv,ini,nmat,nc,nconv,locked,its,prev=0;
89: PetscReal norm;
90: PetscScalar *eigr,dot;
91: PetscBool breakdown,countc,flip=PETSC_FALSE,checkprecond=PETSC_FALSE;
92: Mat A,B,M,V=NULL,W=NULL;
93: Vec v,z,w=eps->work[0];
94: BV X,Y=NULL,Z,R,P,AX,BX;
95: SlepcSC sc;
97: PetscFunctionBegin;
98: PetscCall(STGetNumMatrices(eps->st,&nmat));
99: PetscCall(STGetMatrix(eps->st,0,&A));
100: if (nmat>1) PetscCall(STGetMatrix(eps->st,1,&B));
101: else B = NULL;
103: if (eps->which==EPS_LARGEST_REAL) { /* flip spectrum */
104: flip = PETSC_TRUE;
105: PetscCall(DSGetSlepcSC(eps->ds,&sc));
106: sc->comparison = SlepcCompareSmallestReal;
107: }
109: /* undocumented option to check for a positive-definite preconditioner (turn-off by default) */
110: PetscCall(PetscOptionsGetBool(NULL,NULL,"-eps_lobpcg_checkprecond",&checkprecond,NULL));
112: /* 1. Allocate memory */
113: PetscCall(PetscCalloc1(3*ctx->bs,&eigr));
114: PetscCall(BVDuplicateResize(eps->V,3*ctx->bs,&Z));
115: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&X));
116: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&R));
117: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&P));
118: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&AX));
119: if (B) PetscCall(BVDuplicateResize(eps->V,ctx->bs,&BX));
120: nc = eps->nds;
121: if (nc>0 || eps->nev>ctx->bs-ctx->guard) PetscCall(BVDuplicateResize(eps->V,nc+eps->nev,&Y));
122: if (nc>0) {
123: for (j=0;j<nc;j++) {
124: PetscCall(BVGetColumn(eps->V,-nc+j,&v));
125: PetscCall(BVInsertVec(Y,j,v));
126: PetscCall(BVRestoreColumn(eps->V,-nc+j,&v));
127: }
128: PetscCall(BVSetActiveColumns(Y,0,nc));
129: }
131: /* 2. Apply the constraints to the initial vectors */
132: /* 3. B-orthogonalize initial vectors */
133: for (k=eps->nini;k<eps->ncv-ctx->bs;k++) { /* Generate more initial vectors if necessary */
134: PetscCall(BVSetRandomColumn(eps->V,k));
135: PetscCall(BVOrthonormalizeColumn(eps->V,k,PETSC_TRUE,NULL,NULL));
136: }
137: nv = ctx->bs;
138: PetscCall(BVSetActiveColumns(eps->V,0,nv));
139: PetscCall(BVSetActiveColumns(Z,0,nv));
140: PetscCall(BVCopy(eps->V,Z));
141: PetscCall(BVCopy(Z,X));
143: /* 4. Compute initial Ritz vectors */
144: PetscCall(BVMatMult(X,A,AX));
145: PetscCall(DSSetDimensions(eps->ds,nv,0,0));
146: PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M));
147: PetscCall(BVMatProject(AX,NULL,X,M));
148: if (flip) PetscCall(MatScale(M,-1.0));
149: PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M));
150: PetscCall(DSSetIdentity(eps->ds,DS_MAT_B));
151: PetscCall(DSSetState(eps->ds,DS_STATE_RAW));
152: PetscCall(DSSolve(eps->ds,eigr,NULL));
153: PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL));
154: PetscCall(DSSynchronize(eps->ds,eigr,NULL));
155: for (j=0;j<nv;j++) eps->eigr[j] = flip? -eigr[j]: eigr[j];
156: PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL));
157: PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M));
158: PetscCall(BVMultInPlace(X,M,0,nv));
159: PetscCall(BVMultInPlace(AX,M,0,nv));
160: PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M));
162: /* 5. Initialize range of active iterates */
163: locked = 0; /* hard-locked vectors, the leading locked columns of V are eigenvectors */
164: nconv = 0; /* number of converged eigenvalues in the current block */
165: its = 0; /* iterations for the current block */
167: /* 6. Main loop */
168: while (eps->reason == EPS_CONVERGED_ITERATING) {
170: if (ctx->lock) {
171: PetscCall(BVSetActiveColumns(R,nconv,ctx->bs));
172: PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs));
173: if (B) PetscCall(BVSetActiveColumns(BX,nconv,ctx->bs));
174: }
176: /* 7. Compute residuals */
177: ini = (ctx->lock)? nconv: 0;
178: PetscCall(BVCopy(AX,R));
179: if (B) PetscCall(BVMatMult(X,B,BX));
180: for (j=ini;j<ctx->bs;j++) {
181: PetscCall(BVGetColumn(R,j,&v));
182: PetscCall(BVGetColumn(B?BX:X,j,&z));
183: PetscCall(VecAXPY(v,-eps->eigr[locked+j],z));
184: PetscCall(BVRestoreColumn(R,j,&v));
185: PetscCall(BVRestoreColumn(B?BX:X,j,&z));
186: }
188: /* 8. Compute residual norms and update index set of active iterates */
189: k = ini;
190: countc = PETSC_TRUE;
191: for (j=ini;j<ctx->bs;j++) {
192: i = locked+j;
193: PetscCall(BVGetColumn(R,j,&v));
194: PetscCall(VecNorm(v,NORM_2,&norm));
195: PetscCall(BVRestoreColumn(R,j,&v));
196: PetscCall((*eps->converged)(eps,eps->eigr[i],eps->eigi[i],norm,&eps->errest[i],eps->convergedctx));
197: if (countc) {
198: if (eps->errest[i] < eps->tol) k++;
199: else countc = PETSC_FALSE;
200: }
201: if (!countc && !eps->trackall) break;
202: }
203: nconv = k;
204: eps->nconv = locked + nconv;
205: if (its) PetscCall(EPSMonitor(eps,eps->its+its,eps->nconv,eps->eigr,eps->eigi,eps->errest,locked+ctx->bs));
206: PetscCall((*eps->stopping)(eps,eps->its+its,eps->max_it,eps->nconv,eps->nev,&eps->reason,eps->stoppingctx));
207: if (eps->reason != EPS_CONVERGED_ITERATING || nconv >= ctx->bs-ctx->guard) {
208: PetscCall(BVSetActiveColumns(eps->V,locked,eps->nconv));
209: PetscCall(BVSetActiveColumns(X,0,nconv));
210: PetscCall(BVCopy(X,eps->V));
211: }
212: if (eps->reason != EPS_CONVERGED_ITERATING) {
213: break;
214: } else if (nconv >= ctx->bs-ctx->guard) {
215: eps->its += its-1;
216: its = 0;
217: } else its++;
219: if (nconv >= ctx->bs-ctx->guard) { /* force hard locking of vectors and compute new R */
221: /* extend constraints */
222: PetscCall(BVSetActiveColumns(Y,nc+locked,nc+locked+nconv));
223: PetscCall(BVCopy(X,Y));
224: PetscCall(BVSetActiveColumns(Y,0,nc+locked+nconv));
226: /* shift work BV's */
227: for (j=nconv;j<ctx->bs;j++) {
228: PetscCall(BVCopyColumn(X,j,j-nconv));
229: PetscCall(BVCopyColumn(R,j,j-nconv));
230: PetscCall(BVCopyColumn(P,j,j-nconv));
231: PetscCall(BVCopyColumn(AX,j,j-nconv));
232: if (B) PetscCall(BVCopyColumn(BX,j,j-nconv));
233: }
235: /* set new initial vectors */
236: PetscCall(BVSetActiveColumns(eps->V,locked+ctx->bs,locked+ctx->bs+nconv));
237: PetscCall(BVSetActiveColumns(X,ctx->bs-nconv,ctx->bs));
238: PetscCall(BVCopy(eps->V,X));
239: for (j=ctx->bs-nconv;j<ctx->bs;j++) {
240: PetscCall(BVGetColumn(X,j,&v));
241: PetscCall(BVOrthogonalizeVec(Y,v,NULL,&norm,&breakdown));
242: if (norm>0.0 && !breakdown) PetscCall(VecScale(v,1.0/norm));
243: else {
244: PetscCall(PetscInfo(eps,"Orthogonalization of initial vector failed\n"));
245: eps->reason = EPS_DIVERGED_BREAKDOWN;
246: goto diverged;
247: }
248: PetscCall(BVRestoreColumn(X,j,&v));
249: }
250: locked += nconv;
251: nconv = 0;
252: PetscCall(BVSetActiveColumns(X,nconv,ctx->bs));
254: /* B-orthogonalize initial vectors */
255: PetscCall(BVOrthogonalize(X,NULL));
256: PetscCall(BVSetActiveColumns(Z,nconv,ctx->bs));
257: PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs));
258: PetscCall(BVCopy(X,Z));
260: /* compute initial Ritz vectors */
261: nv = ctx->bs;
262: PetscCall(BVMatMult(X,A,AX));
263: PetscCall(DSSetDimensions(eps->ds,nv,0,0));
264: PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M));
265: PetscCall(BVMatProject(AX,NULL,X,M));
266: if (flip) PetscCall(MatScale(M,-1.0));
267: PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M));
268: PetscCall(DSSetIdentity(eps->ds,DS_MAT_B));
269: PetscCall(DSSetState(eps->ds,DS_STATE_RAW));
270: PetscCall(DSSolve(eps->ds,eigr,NULL));
271: PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL));
272: PetscCall(DSSynchronize(eps->ds,eigr,NULL));
273: for (j=0;j<nv;j++) if (locked+j<eps->ncv) eps->eigr[locked+j] = flip? -eigr[j]: eigr[j];
274: PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL));
275: PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M));
276: PetscCall(BVMultInPlace(X,M,0,nv));
277: PetscCall(BVMultInPlace(AX,M,0,nv));
278: PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M));
280: continue; /* skip the rest of the iteration */
281: }
283: ini = (ctx->lock)? nconv: 0;
284: if (ctx->lock) {
285: PetscCall(BVSetActiveColumns(R,nconv,ctx->bs));
286: PetscCall(BVSetActiveColumns(P,nconv,ctx->bs));
287: PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs));
288: if (B) PetscCall(BVSetActiveColumns(BX,nconv,ctx->bs));
289: }
291: /* 9. Apply preconditioner to the residuals */
292: PetscCall(BVGetMat(R,&V));
293: if (prev != ctx->bs-ini) {
294: prev = ctx->bs-ini;
295: PetscCall(MatDestroy(&W));
296: PetscCall(MatDuplicate(V,MAT_SHARE_NONZERO_PATTERN,&W));
297: }
298: PetscCall(STApplyMat(eps->st,V,W));
299: if (checkprecond) {
300: for (j=ini;j<ctx->bs;j++) {
301: PetscCall(MatDenseGetColumnVecRead(V,j-ini,&v));
302: PetscCall(MatDenseGetColumnVecRead(W,j-ini,&w));
303: PetscCall(VecDot(v,w,&dot));
304: PetscCall(MatDenseRestoreColumnVecRead(W,j-ini,&w));
305: PetscCall(MatDenseRestoreColumnVecRead(V,j-ini,&v));
306: if (PetscRealPart(dot)<0.0) {
307: PetscCall(PetscInfo(eps,"The preconditioner is not positive-definite\n"));
308: eps->reason = EPS_DIVERGED_BREAKDOWN;
309: goto diverged;
310: }
311: }
312: }
313: if (nc+locked>0) {
314: for (j=ini;j<ctx->bs;j++) {
315: PetscCall(MatDenseGetColumnVecWrite(W,j-ini,&w));
316: PetscCall(BVOrthogonalizeVec(Y,w,NULL,&norm,&breakdown));
317: if (norm>0.0 && !breakdown) PetscCall(VecScale(w,1.0/norm));
318: PetscCall(MatDenseRestoreColumnVecWrite(W,j-ini,&w));
319: if (norm<=0.0 || breakdown) {
320: PetscCall(PetscInfo(eps,"Orthogonalization of preconditioned residual failed\n"));
321: eps->reason = EPS_DIVERGED_BREAKDOWN;
322: goto diverged;
323: }
324: }
325: }
326: PetscCall(MatCopy(W,V,SAME_NONZERO_PATTERN));
327: PetscCall(BVRestoreMat(R,&V));
329: /* 11. B-orthonormalize preconditioned residuals */
330: PetscCall(BVOrthogonalize(R,NULL));
332: /* 13-16. B-orthonormalize conjugate directions */
333: if (its>1) PetscCall(BVOrthogonalize(P,NULL));
335: /* 17-23. Compute symmetric Gram matrices */
336: PetscCall(BVSetActiveColumns(Z,0,ctx->bs));
337: PetscCall(BVSetActiveColumns(X,0,ctx->bs));
338: PetscCall(BVCopy(X,Z));
339: PetscCall(BVSetActiveColumns(Z,ctx->bs,2*ctx->bs-ini));
340: PetscCall(BVCopy(R,Z));
341: if (its>1) {
342: PetscCall(BVSetActiveColumns(Z,2*ctx->bs-ini,3*ctx->bs-2*ini));
343: PetscCall(BVCopy(P,Z));
344: }
346: if (its>1) nv = 3*ctx->bs-2*ini;
347: else nv = 2*ctx->bs-ini;
349: PetscCall(BVSetActiveColumns(Z,0,nv));
350: PetscCall(DSSetDimensions(eps->ds,nv,0,0));
351: PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M));
352: PetscCall(BVMatProject(Z,A,Z,M));
353: if (flip) PetscCall(MatScale(M,-1.0));
354: PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M));
355: PetscCall(DSGetMat(eps->ds,DS_MAT_B,&M));
356: PetscCall(BVMatProject(Z,B,Z,M)); /* covers also the case B=NULL */
357: PetscCall(DSRestoreMat(eps->ds,DS_MAT_B,&M));
359: /* 24. Solve the generalized eigenvalue problem */
360: PetscCall(DSSetState(eps->ds,DS_STATE_RAW));
361: PetscCall(DSSolve(eps->ds,eigr,NULL));
362: PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL));
363: PetscCall(DSSynchronize(eps->ds,eigr,NULL));
364: for (j=0;j<nv;j++) if (locked+j<eps->ncv) eps->eigr[locked+j] = flip? -eigr[j]: eigr[j];
365: PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL));
367: /* 25-33. Compute Ritz vectors */
368: PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M));
369: PetscCall(BVSetActiveColumns(Z,ctx->bs,nv));
370: if (ctx->lock) PetscCall(BVSetActiveColumns(P,0,ctx->bs));
371: PetscCall(BVMult(P,1.0,0.0,Z,M));
372: PetscCall(BVCopy(P,X));
373: if (ctx->lock) PetscCall(BVSetActiveColumns(P,nconv,ctx->bs));
374: PetscCall(BVSetActiveColumns(Z,0,ctx->bs));
375: PetscCall(BVMult(X,1.0,1.0,Z,M));
376: if (ctx->lock) PetscCall(BVSetActiveColumns(X,nconv,ctx->bs));
377: PetscCall(BVMatMult(X,A,AX));
378: PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M));
379: }
381: diverged:
382: eps->its += its;
384: if (flip) sc->comparison = SlepcCompareLargestReal;
385: PetscCall(PetscFree(eigr));
386: PetscCall(MatDestroy(&W));
387: if (V) PetscCall(BVRestoreMat(R,&V)); /* only needed when goto diverged is reached */
388: PetscCall(BVDestroy(&Z));
389: PetscCall(BVDestroy(&X));
390: PetscCall(BVDestroy(&R));
391: PetscCall(BVDestroy(&P));
392: PetscCall(BVDestroy(&AX));
393: if (B) PetscCall(BVDestroy(&BX));
394: if (nc>0 || eps->nev>ctx->bs-ctx->guard) PetscCall(BVDestroy(&Y));
395: PetscFunctionReturn(PETSC_SUCCESS);
396: }
398: static PetscErrorCode EPSLOBPCGSetBlockSize_LOBPCG(EPS eps,PetscInt bs)
399: {
400: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
402: PetscFunctionBegin;
403: if (bs == PETSC_DEFAULT || bs == PETSC_DECIDE) bs = 0;
404: else PetscCheck(bs>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Invalid block size %" PetscInt_FMT,bs);
405: if (ctx->bs != bs) {
406: ctx->bs = bs;
407: eps->state = EPS_STATE_INITIAL;
408: }
409: PetscFunctionReturn(PETSC_SUCCESS);
410: }
412: /*@
413: EPSLOBPCGSetBlockSize - Sets the block size of the LOBPCG method.
415: Logically Collective
417: Input Parameters:
418: + eps - the eigenproblem solver context
419: - bs - the block size
421: Options Database Key:
422: . -eps_lobpcg_blocksize - Sets the block size
424: Level: advanced
426: .seealso: EPSLOBPCGGetBlockSize()
427: @*/
428: PetscErrorCode EPSLOBPCGSetBlockSize(EPS eps,PetscInt bs)
429: {
430: PetscFunctionBegin;
433: PetscTryMethod(eps,"EPSLOBPCGSetBlockSize_C",(EPS,PetscInt),(eps,bs));
434: PetscFunctionReturn(PETSC_SUCCESS);
435: }
437: static PetscErrorCode EPSLOBPCGGetBlockSize_LOBPCG(EPS eps,PetscInt *bs)
438: {
439: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
441: PetscFunctionBegin;
442: *bs = ctx->bs;
443: PetscFunctionReturn(PETSC_SUCCESS);
444: }
446: /*@
447: EPSLOBPCGGetBlockSize - Gets the block size used in the LOBPCG method.
449: Not Collective
451: Input Parameter:
452: . eps - the eigenproblem solver context
454: Output Parameter:
455: . bs - the block size
457: Level: advanced
459: .seealso: EPSLOBPCGSetBlockSize()
460: @*/
461: PetscErrorCode EPSLOBPCGGetBlockSize(EPS eps,PetscInt *bs)
462: {
463: PetscFunctionBegin;
465: PetscAssertPointer(bs,2);
466: PetscUseMethod(eps,"EPSLOBPCGGetBlockSize_C",(EPS,PetscInt*),(eps,bs));
467: PetscFunctionReturn(PETSC_SUCCESS);
468: }
470: static PetscErrorCode EPSLOBPCGSetRestart_LOBPCG(EPS eps,PetscReal restart)
471: {
472: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
474: PetscFunctionBegin;
475: if (restart==(PetscReal)PETSC_DEFAULT || restart==(PetscReal)PETSC_DECIDE) restart = 0.9;
476: PetscCheck(restart>=0.1 && restart<=1.0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The restart argument %g must be in the range [0.1,1.0]",(double)restart);
477: if (restart != ctx->restart) {
478: ctx->restart = restart;
479: eps->state = EPS_STATE_INITIAL;
480: }
481: PetscFunctionReturn(PETSC_SUCCESS);
482: }
484: /*@
485: EPSLOBPCGSetRestart - Sets the restart parameter for the LOBPCG method.
487: Logically Collective
489: Input Parameters:
490: + eps - the eigenproblem solver context
491: - restart - the percentage of the block of vectors to force a restart
493: Options Database Key:
494: . -eps_lobpcg_restart - Sets the restart parameter
496: Notes:
497: The meaning of this parameter is the proportion of vectors within the
498: current block iterate that must have converged in order to force a
499: restart with hard locking.
500: Allowed values are in the range [0.1,1.0]. The default is 0.9.
502: Level: advanced
504: .seealso: EPSLOBPCGGetRestart()
505: @*/
506: PetscErrorCode EPSLOBPCGSetRestart(EPS eps,PetscReal restart)
507: {
508: PetscFunctionBegin;
511: PetscTryMethod(eps,"EPSLOBPCGSetRestart_C",(EPS,PetscReal),(eps,restart));
512: PetscFunctionReturn(PETSC_SUCCESS);
513: }
515: static PetscErrorCode EPSLOBPCGGetRestart_LOBPCG(EPS eps,PetscReal *restart)
516: {
517: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
519: PetscFunctionBegin;
520: *restart = ctx->restart;
521: PetscFunctionReturn(PETSC_SUCCESS);
522: }
524: /*@
525: EPSLOBPCGGetRestart - Gets the restart parameter used in the LOBPCG method.
527: Not Collective
529: Input Parameter:
530: . eps - the eigenproblem solver context
532: Output Parameter:
533: . restart - the restart parameter
535: Level: advanced
537: .seealso: EPSLOBPCGSetRestart()
538: @*/
539: PetscErrorCode EPSLOBPCGGetRestart(EPS eps,PetscReal *restart)
540: {
541: PetscFunctionBegin;
543: PetscAssertPointer(restart,2);
544: PetscUseMethod(eps,"EPSLOBPCGGetRestart_C",(EPS,PetscReal*),(eps,restart));
545: PetscFunctionReturn(PETSC_SUCCESS);
546: }
548: static PetscErrorCode EPSLOBPCGSetLocking_LOBPCG(EPS eps,PetscBool lock)
549: {
550: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
552: PetscFunctionBegin;
553: ctx->lock = lock;
554: PetscFunctionReturn(PETSC_SUCCESS);
555: }
557: /*@
558: EPSLOBPCGSetLocking - Choose between locking and non-locking variants of
559: the LOBPCG method.
561: Logically Collective
563: Input Parameters:
564: + eps - the eigenproblem solver context
565: - lock - true if the locking variant must be selected
567: Options Database Key:
568: . -eps_lobpcg_locking - Sets the locking flag
570: Notes:
571: This flag refers to soft locking (converged vectors within the current
572: block iterate), since hard locking is always used (when nev is larger
573: than the block size).
575: Level: advanced
577: .seealso: EPSLOBPCGGetLocking()
578: @*/
579: PetscErrorCode EPSLOBPCGSetLocking(EPS eps,PetscBool lock)
580: {
581: PetscFunctionBegin;
584: PetscTryMethod(eps,"EPSLOBPCGSetLocking_C",(EPS,PetscBool),(eps,lock));
585: PetscFunctionReturn(PETSC_SUCCESS);
586: }
588: static PetscErrorCode EPSLOBPCGGetLocking_LOBPCG(EPS eps,PetscBool *lock)
589: {
590: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
592: PetscFunctionBegin;
593: *lock = ctx->lock;
594: PetscFunctionReturn(PETSC_SUCCESS);
595: }
597: /*@
598: EPSLOBPCGGetLocking - Gets the locking flag used in the LOBPCG method.
600: Not Collective
602: Input Parameter:
603: . eps - the eigenproblem solver context
605: Output Parameter:
606: . lock - the locking flag
608: Level: advanced
610: .seealso: EPSLOBPCGSetLocking()
611: @*/
612: PetscErrorCode EPSLOBPCGGetLocking(EPS eps,PetscBool *lock)
613: {
614: PetscFunctionBegin;
616: PetscAssertPointer(lock,2);
617: PetscUseMethod(eps,"EPSLOBPCGGetLocking_C",(EPS,PetscBool*),(eps,lock));
618: PetscFunctionReturn(PETSC_SUCCESS);
619: }
621: static PetscErrorCode EPSView_LOBPCG(EPS eps,PetscViewer viewer)
622: {
623: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
624: PetscBool isascii;
626: PetscFunctionBegin;
627: PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii));
628: if (isascii) {
629: PetscCall(PetscViewerASCIIPrintf(viewer," block size %" PetscInt_FMT "\n",ctx->bs));
630: PetscCall(PetscViewerASCIIPrintf(viewer," restart parameter=%g (using %" PetscInt_FMT " guard vectors)\n",(double)ctx->restart,ctx->guard));
631: PetscCall(PetscViewerASCIIPrintf(viewer," soft locking %sactivated\n",ctx->lock?"":"de"));
632: }
633: PetscFunctionReturn(PETSC_SUCCESS);
634: }
636: static PetscErrorCode EPSSetFromOptions_LOBPCG(EPS eps,PetscOptionItems *PetscOptionsObject)
637: {
638: PetscBool lock,flg;
639: PetscInt bs;
640: PetscReal restart;
642: PetscFunctionBegin;
643: PetscOptionsHeadBegin(PetscOptionsObject,"EPS LOBPCG Options");
645: PetscCall(PetscOptionsInt("-eps_lobpcg_blocksize","Block size","EPSLOBPCGSetBlockSize",20,&bs,&flg));
646: if (flg) PetscCall(EPSLOBPCGSetBlockSize(eps,bs));
648: PetscCall(PetscOptionsReal("-eps_lobpcg_restart","Percentage of the block of vectors to force a restart","EPSLOBPCGSetRestart",0.5,&restart,&flg));
649: if (flg) PetscCall(EPSLOBPCGSetRestart(eps,restart));
651: PetscCall(PetscOptionsBool("-eps_lobpcg_locking","Choose between locking and non-locking variants","EPSLOBPCGSetLocking",PETSC_TRUE,&lock,&flg));
652: if (flg) PetscCall(EPSLOBPCGSetLocking(eps,lock));
654: PetscOptionsHeadEnd();
655: PetscFunctionReturn(PETSC_SUCCESS);
656: }
658: static PetscErrorCode EPSDestroy_LOBPCG(EPS eps)
659: {
660: PetscFunctionBegin;
661: PetscCall(PetscFree(eps->data));
662: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetBlockSize_C",NULL));
663: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetBlockSize_C",NULL));
664: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetRestart_C",NULL));
665: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetRestart_C",NULL));
666: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetLocking_C",NULL));
667: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetLocking_C",NULL));
668: PetscFunctionReturn(PETSC_SUCCESS);
669: }
671: SLEPC_EXTERN PetscErrorCode EPSCreate_LOBPCG(EPS eps)
672: {
673: EPS_LOBPCG *lobpcg;
675: PetscFunctionBegin;
676: PetscCall(PetscNew(&lobpcg));
677: eps->data = (void*)lobpcg;
678: lobpcg->lock = PETSC_TRUE;
680: eps->useds = PETSC_TRUE;
681: eps->categ = EPS_CATEGORY_PRECOND;
683: eps->ops->solve = EPSSolve_LOBPCG;
684: eps->ops->setup = EPSSetUp_LOBPCG;
685: eps->ops->setupsort = EPSSetUpSort_Default;
686: eps->ops->setfromoptions = EPSSetFromOptions_LOBPCG;
687: eps->ops->destroy = EPSDestroy_LOBPCG;
688: eps->ops->view = EPSView_LOBPCG;
689: eps->ops->backtransform = EPSBackTransform_Default;
690: eps->ops->setdefaultst = EPSSetDefaultST_GMRES;
692: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetBlockSize_C",EPSLOBPCGSetBlockSize_LOBPCG));
693: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetBlockSize_C",EPSLOBPCGGetBlockSize_LOBPCG));
694: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetRestart_C",EPSLOBPCGSetRestart_LOBPCG));
695: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetRestart_C",EPSLOBPCGGetRestart_LOBPCG));
696: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetLocking_C",EPSLOBPCGSetLocking_LOBPCG));
697: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetLocking_C",EPSLOBPCGGetLocking_LOBPCG));
698: PetscFunctionReturn(PETSC_SUCCESS);
699: }