Actual source code: lobpcg.c
slepc-3.20.2 2024-03-15
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_DEFAULT) { /* 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_DEFAULT) *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: if (!ctx->bs) ctx->bs = PetscMin(16,eps->nev);
62: 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");
63: PetscCall(EPSSetDimensions_LOBPCG(eps,eps->nev,&eps->ncv,&eps->mpd));
64: if (eps->max_it==PETSC_DEFAULT) eps->max_it = PetscMax(100,2*eps->n/eps->ncv);
65: if (!eps->which) eps->which = EPS_SMALLEST_REAL;
66: 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");
67: EPSCheckUnsupported(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_EXTRACTION);
68: EPSCheckIgnored(eps,EPS_FEATURE_BALANCE);
70: if (!ctx->restart) ctx->restart = 0.9;
72: /* number of guard vectors */
73: if (ctx->bs==1) ctx->guard = 0;
74: else ctx->guard = PetscMin((PetscInt)((1.0-ctx->restart)*ctx->bs+0.45),ctx->bs-1);
76: PetscCall(EPSAllocateSolution(eps,0));
77: PetscCall(EPS_SetInnerProduct(eps));
78: PetscCall(DSSetType(eps->ds,DSGHEP));
79: PetscCall(DSAllocate(eps->ds,eps->mpd));
80: PetscCall(EPSSetWorkVecs(eps,1));
81: PetscFunctionReturn(PETSC_SUCCESS);
82: }
84: static PetscErrorCode EPSSolve_LOBPCG(EPS eps)
85: {
86: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
87: PetscInt i,j,k,nv,ini,nmat,nc,nconv,locked,its,prev=0;
88: PetscReal norm;
89: PetscScalar *eigr,dot;
90: PetscBool breakdown,countc,flip=PETSC_FALSE,checkprecond=PETSC_FALSE;
91: Mat A,B,M,V=NULL,W=NULL;
92: Vec v,z,w=eps->work[0];
93: BV X,Y=NULL,Z,R,P,AX,BX;
94: SlepcSC sc;
96: PetscFunctionBegin;
97: PetscCall(STGetNumMatrices(eps->st,&nmat));
98: PetscCall(STGetMatrix(eps->st,0,&A));
99: if (nmat>1) PetscCall(STGetMatrix(eps->st,1,&B));
100: else B = NULL;
102: if (eps->which==EPS_LARGEST_REAL) { /* flip spectrum */
103: flip = PETSC_TRUE;
104: PetscCall(DSGetSlepcSC(eps->ds,&sc));
105: sc->comparison = SlepcCompareSmallestReal;
106: }
108: /* undocumented option to check for a positive-definite preconditioner (turn-off by default) */
109: PetscCall(PetscOptionsGetBool(NULL,NULL,"-eps_lobpcg_checkprecond",&checkprecond,NULL));
111: /* 1. Allocate memory */
112: PetscCall(PetscCalloc1(3*ctx->bs,&eigr));
113: PetscCall(BVDuplicateResize(eps->V,3*ctx->bs,&Z));
114: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&X));
115: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&R));
116: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&P));
117: PetscCall(BVDuplicateResize(eps->V,ctx->bs,&AX));
118: if (B) PetscCall(BVDuplicateResize(eps->V,ctx->bs,&BX));
119: nc = eps->nds;
120: if (nc>0 || eps->nev>ctx->bs-ctx->guard) PetscCall(BVDuplicateResize(eps->V,nc+eps->nev,&Y));
121: if (nc>0) {
122: for (j=0;j<nc;j++) {
123: PetscCall(BVGetColumn(eps->V,-nc+j,&v));
124: PetscCall(BVInsertVec(Y,j,v));
125: PetscCall(BVRestoreColumn(eps->V,-nc+j,&v));
126: }
127: PetscCall(BVSetActiveColumns(Y,0,nc));
128: }
130: /* 2. Apply the constraints to the initial vectors */
131: /* 3. B-orthogonalize initial vectors */
132: for (k=eps->nini;k<eps->ncv-ctx->bs;k++) { /* Generate more initial vectors if necessary */
133: PetscCall(BVSetRandomColumn(eps->V,k));
134: PetscCall(BVOrthonormalizeColumn(eps->V,k,PETSC_TRUE,NULL,NULL));
135: }
136: nv = ctx->bs;
137: PetscCall(BVSetActiveColumns(eps->V,0,nv));
138: PetscCall(BVSetActiveColumns(Z,0,nv));
139: PetscCall(BVCopy(eps->V,Z));
140: PetscCall(BVCopy(Z,X));
142: /* 4. Compute initial Ritz vectors */
143: PetscCall(BVMatMult(X,A,AX));
144: PetscCall(DSSetDimensions(eps->ds,nv,0,0));
145: PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M));
146: PetscCall(BVMatProject(AX,NULL,X,M));
147: if (flip) PetscCall(MatScale(M,-1.0));
148: PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M));
149: PetscCall(DSSetIdentity(eps->ds,DS_MAT_B));
150: PetscCall(DSSetState(eps->ds,DS_STATE_RAW));
151: PetscCall(DSSolve(eps->ds,eigr,NULL));
152: PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL));
153: PetscCall(DSSynchronize(eps->ds,eigr,NULL));
154: for (j=0;j<nv;j++) eps->eigr[j] = flip? -eigr[j]: eigr[j];
155: PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL));
156: PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M));
157: PetscCall(BVMultInPlace(X,M,0,nv));
158: PetscCall(BVMultInPlace(AX,M,0,nv));
159: PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M));
161: /* 5. Initialize range of active iterates */
162: locked = 0; /* hard-locked vectors, the leading locked columns of V are eigenvectors */
163: nconv = 0; /* number of converged eigenvalues in the current block */
164: its = 0; /* iterations for the current block */
166: /* 6. Main loop */
167: while (eps->reason == EPS_CONVERGED_ITERATING) {
169: if (ctx->lock) {
170: PetscCall(BVSetActiveColumns(R,nconv,ctx->bs));
171: PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs));
172: if (B) PetscCall(BVSetActiveColumns(BX,nconv,ctx->bs));
173: }
175: /* 7. Compute residuals */
176: ini = (ctx->lock)? nconv: 0;
177: PetscCall(BVCopy(AX,R));
178: if (B) PetscCall(BVMatMult(X,B,BX));
179: for (j=ini;j<ctx->bs;j++) {
180: PetscCall(BVGetColumn(R,j,&v));
181: PetscCall(BVGetColumn(B?BX:X,j,&z));
182: PetscCall(VecAXPY(v,-eps->eigr[locked+j],z));
183: PetscCall(BVRestoreColumn(R,j,&v));
184: PetscCall(BVRestoreColumn(B?BX:X,j,&z));
185: }
187: /* 8. Compute residual norms and update index set of active iterates */
188: k = ini;
189: countc = PETSC_TRUE;
190: for (j=ini;j<ctx->bs;j++) {
191: i = locked+j;
192: PetscCall(BVGetColumn(R,j,&v));
193: PetscCall(VecNorm(v,NORM_2,&norm));
194: PetscCall(BVRestoreColumn(R,j,&v));
195: PetscCall((*eps->converged)(eps,eps->eigr[i],eps->eigi[i],norm,&eps->errest[i],eps->convergedctx));
196: if (countc) {
197: if (eps->errest[i] < eps->tol) k++;
198: else countc = PETSC_FALSE;
199: }
200: if (!countc && !eps->trackall) break;
201: }
202: nconv = k;
203: eps->nconv = locked + nconv;
204: if (its) PetscCall(EPSMonitor(eps,eps->its+its,eps->nconv,eps->eigr,eps->eigi,eps->errest,locked+ctx->bs));
205: PetscCall((*eps->stopping)(eps,eps->its+its,eps->max_it,eps->nconv,eps->nev,&eps->reason,eps->stoppingctx));
206: if (eps->reason != EPS_CONVERGED_ITERATING || nconv >= ctx->bs-ctx->guard) {
207: PetscCall(BVSetActiveColumns(eps->V,locked,eps->nconv));
208: PetscCall(BVSetActiveColumns(X,0,nconv));
209: PetscCall(BVCopy(X,eps->V));
210: }
211: if (eps->reason != EPS_CONVERGED_ITERATING) {
212: break;
213: } else if (nconv >= ctx->bs-ctx->guard) {
214: eps->its += its-1;
215: its = 0;
216: } else its++;
218: if (nconv >= ctx->bs-ctx->guard) { /* force hard locking of vectors and compute new R */
220: /* extend constraints */
221: PetscCall(BVSetActiveColumns(Y,nc+locked,nc+locked+nconv));
222: PetscCall(BVCopy(X,Y));
223: PetscCall(BVSetActiveColumns(Y,0,nc+locked+nconv));
225: /* shift work BV's */
226: for (j=nconv;j<ctx->bs;j++) {
227: PetscCall(BVCopyColumn(X,j,j-nconv));
228: PetscCall(BVCopyColumn(R,j,j-nconv));
229: PetscCall(BVCopyColumn(P,j,j-nconv));
230: PetscCall(BVCopyColumn(AX,j,j-nconv));
231: if (B) PetscCall(BVCopyColumn(BX,j,j-nconv));
232: }
234: /* set new initial vectors */
235: PetscCall(BVSetActiveColumns(eps->V,locked+ctx->bs,locked+ctx->bs+nconv));
236: PetscCall(BVSetActiveColumns(X,ctx->bs-nconv,ctx->bs));
237: PetscCall(BVCopy(eps->V,X));
238: for (j=ctx->bs-nconv;j<ctx->bs;j++) {
239: PetscCall(BVGetColumn(X,j,&v));
240: PetscCall(BVOrthogonalizeVec(Y,v,NULL,&norm,&breakdown));
241: if (norm>0.0 && !breakdown) PetscCall(VecScale(v,1.0/norm));
242: else {
243: PetscCall(PetscInfo(eps,"Orthogonalization of initial vector failed\n"));
244: eps->reason = EPS_DIVERGED_BREAKDOWN;
245: goto diverged;
246: }
247: PetscCall(BVRestoreColumn(X,j,&v));
248: }
249: locked += nconv;
250: nconv = 0;
251: PetscCall(BVSetActiveColumns(X,nconv,ctx->bs));
253: /* B-orthogonalize initial vectors */
254: PetscCall(BVOrthogonalize(X,NULL));
255: PetscCall(BVSetActiveColumns(Z,nconv,ctx->bs));
256: PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs));
257: PetscCall(BVCopy(X,Z));
259: /* compute initial Ritz vectors */
260: nv = ctx->bs;
261: PetscCall(BVMatMult(X,A,AX));
262: PetscCall(DSSetDimensions(eps->ds,nv,0,0));
263: PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M));
264: PetscCall(BVMatProject(AX,NULL,X,M));
265: if (flip) PetscCall(MatScale(M,-1.0));
266: PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M));
267: PetscCall(DSSetIdentity(eps->ds,DS_MAT_B));
268: PetscCall(DSSetState(eps->ds,DS_STATE_RAW));
269: PetscCall(DSSolve(eps->ds,eigr,NULL));
270: PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL));
271: PetscCall(DSSynchronize(eps->ds,eigr,NULL));
272: for (j=0;j<nv;j++) if (locked+j<eps->ncv) eps->eigr[locked+j] = flip? -eigr[j]: eigr[j];
273: PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL));
274: PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M));
275: PetscCall(BVMultInPlace(X,M,0,nv));
276: PetscCall(BVMultInPlace(AX,M,0,nv));
277: PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M));
279: continue; /* skip the rest of the iteration */
280: }
282: ini = (ctx->lock)? nconv: 0;
283: if (ctx->lock) {
284: PetscCall(BVSetActiveColumns(R,nconv,ctx->bs));
285: PetscCall(BVSetActiveColumns(P,nconv,ctx->bs));
286: PetscCall(BVSetActiveColumns(AX,nconv,ctx->bs));
287: if (B) PetscCall(BVSetActiveColumns(BX,nconv,ctx->bs));
288: }
290: /* 9. Apply preconditioner to the residuals */
291: PetscCall(BVGetMat(R,&V));
292: if (prev != ctx->bs-ini) {
293: prev = ctx->bs-ini;
294: PetscCall(MatDestroy(&W));
295: PetscCall(MatDuplicate(V,MAT_SHARE_NONZERO_PATTERN,&W));
296: }
297: PetscCall(STApplyMat(eps->st,V,W));
298: if (checkprecond) {
299: for (j=ini;j<ctx->bs;j++) {
300: PetscCall(MatDenseGetColumnVecRead(V,j-ini,&v));
301: PetscCall(MatDenseGetColumnVecRead(W,j-ini,&w));
302: PetscCall(VecDot(v,w,&dot));
303: PetscCall(MatDenseRestoreColumnVecRead(W,j-ini,&w));
304: PetscCall(MatDenseRestoreColumnVecRead(V,j-ini,&v));
305: if (PetscRealPart(dot)<0.0) {
306: PetscCall(PetscInfo(eps,"The preconditioner is not positive-definite\n"));
307: eps->reason = EPS_DIVERGED_BREAKDOWN;
308: goto diverged;
309: }
310: }
311: }
312: if (nc+locked>0) {
313: for (j=ini;j<ctx->bs;j++) {
314: PetscCall(MatDenseGetColumnVecWrite(W,j-ini,&w));
315: PetscCall(BVOrthogonalizeVec(Y,w,NULL,&norm,&breakdown));
316: if (norm>0.0 && !breakdown) PetscCall(VecScale(w,1.0/norm));
317: PetscCall(MatDenseRestoreColumnVecWrite(W,j-ini,&w));
318: if (norm<=0.0 || breakdown) {
319: PetscCall(PetscInfo(eps,"Orthogonalization of preconditioned residual failed\n"));
320: eps->reason = EPS_DIVERGED_BREAKDOWN;
321: goto diverged;
322: }
323: }
324: }
325: PetscCall(MatCopy(W,V,SAME_NONZERO_PATTERN));
326: PetscCall(BVRestoreMat(R,&V));
328: /* 11. B-orthonormalize preconditioned residuals */
329: PetscCall(BVOrthogonalize(R,NULL));
331: /* 13-16. B-orthonormalize conjugate directions */
332: if (its>1) PetscCall(BVOrthogonalize(P,NULL));
334: /* 17-23. Compute symmetric Gram matrices */
335: PetscCall(BVSetActiveColumns(Z,0,ctx->bs));
336: PetscCall(BVSetActiveColumns(X,0,ctx->bs));
337: PetscCall(BVCopy(X,Z));
338: PetscCall(BVSetActiveColumns(Z,ctx->bs,2*ctx->bs-ini));
339: PetscCall(BVCopy(R,Z));
340: if (its>1) {
341: PetscCall(BVSetActiveColumns(Z,2*ctx->bs-ini,3*ctx->bs-2*ini));
342: PetscCall(BVCopy(P,Z));
343: }
345: if (its>1) nv = 3*ctx->bs-2*ini;
346: else nv = 2*ctx->bs-ini;
348: PetscCall(BVSetActiveColumns(Z,0,nv));
349: PetscCall(DSSetDimensions(eps->ds,nv,0,0));
350: PetscCall(DSGetMat(eps->ds,DS_MAT_A,&M));
351: PetscCall(BVMatProject(Z,A,Z,M));
352: if (flip) PetscCall(MatScale(M,-1.0));
353: PetscCall(DSRestoreMat(eps->ds,DS_MAT_A,&M));
354: PetscCall(DSGetMat(eps->ds,DS_MAT_B,&M));
355: PetscCall(BVMatProject(Z,B,Z,M)); /* covers also the case B=NULL */
356: PetscCall(DSRestoreMat(eps->ds,DS_MAT_B,&M));
358: /* 24. Solve the generalized eigenvalue problem */
359: PetscCall(DSSetState(eps->ds,DS_STATE_RAW));
360: PetscCall(DSSolve(eps->ds,eigr,NULL));
361: PetscCall(DSSort(eps->ds,eigr,NULL,NULL,NULL,NULL));
362: PetscCall(DSSynchronize(eps->ds,eigr,NULL));
363: for (j=0;j<nv;j++) if (locked+j<eps->ncv) eps->eigr[locked+j] = flip? -eigr[j]: eigr[j];
364: PetscCall(DSVectors(eps->ds,DS_MAT_X,NULL,NULL));
366: /* 25-33. Compute Ritz vectors */
367: PetscCall(DSGetMat(eps->ds,DS_MAT_X,&M));
368: PetscCall(BVSetActiveColumns(Z,ctx->bs,nv));
369: if (ctx->lock) PetscCall(BVSetActiveColumns(P,0,ctx->bs));
370: PetscCall(BVMult(P,1.0,0.0,Z,M));
371: PetscCall(BVCopy(P,X));
372: if (ctx->lock) PetscCall(BVSetActiveColumns(P,nconv,ctx->bs));
373: PetscCall(BVSetActiveColumns(Z,0,ctx->bs));
374: PetscCall(BVMult(X,1.0,1.0,Z,M));
375: if (ctx->lock) PetscCall(BVSetActiveColumns(X,nconv,ctx->bs));
376: PetscCall(BVMatMult(X,A,AX));
377: PetscCall(DSRestoreMat(eps->ds,DS_MAT_X,&M));
378: }
380: diverged:
381: eps->its += its;
383: if (flip) sc->comparison = SlepcCompareLargestReal;
384: PetscCall(PetscFree(eigr));
385: PetscCall(MatDestroy(&W));
386: if (V) PetscCall(BVRestoreMat(R,&V)); /* only needed when goto diverged is reached */
387: PetscCall(BVDestroy(&Z));
388: PetscCall(BVDestroy(&X));
389: PetscCall(BVDestroy(&R));
390: PetscCall(BVDestroy(&P));
391: PetscCall(BVDestroy(&AX));
392: if (B) PetscCall(BVDestroy(&BX));
393: if (nc>0 || eps->nev>ctx->bs-ctx->guard) PetscCall(BVDestroy(&Y));
394: PetscFunctionReturn(PETSC_SUCCESS);
395: }
397: static PetscErrorCode EPSLOBPCGSetBlockSize_LOBPCG(EPS eps,PetscInt bs)
398: {
399: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
401: PetscFunctionBegin;
402: if (bs == PETSC_DEFAULT || bs == PETSC_DECIDE) bs = 0;
403: else PetscCheck(bs>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Invalid block size %" PetscInt_FMT,bs);
404: if (ctx->bs != bs) {
405: ctx->bs = bs;
406: eps->state = EPS_STATE_INITIAL;
407: }
408: PetscFunctionReturn(PETSC_SUCCESS);
409: }
411: /*@
412: EPSLOBPCGSetBlockSize - Sets the block size of the LOBPCG method.
414: Logically Collective
416: Input Parameters:
417: + eps - the eigenproblem solver context
418: - bs - the block size
420: Options Database Key:
421: . -eps_lobpcg_blocksize - Sets the block size
423: Level: advanced
425: .seealso: EPSLOBPCGGetBlockSize()
426: @*/
427: PetscErrorCode EPSLOBPCGSetBlockSize(EPS eps,PetscInt bs)
428: {
429: PetscFunctionBegin;
432: PetscTryMethod(eps,"EPSLOBPCGSetBlockSize_C",(EPS,PetscInt),(eps,bs));
433: PetscFunctionReturn(PETSC_SUCCESS);
434: }
436: static PetscErrorCode EPSLOBPCGGetBlockSize_LOBPCG(EPS eps,PetscInt *bs)
437: {
438: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
440: PetscFunctionBegin;
441: *bs = ctx->bs;
442: PetscFunctionReturn(PETSC_SUCCESS);
443: }
445: /*@
446: EPSLOBPCGGetBlockSize - Gets the block size used in the LOBPCG method.
448: Not Collective
450: Input Parameter:
451: . eps - the eigenproblem solver context
453: Output Parameter:
454: . bs - the block size
456: Level: advanced
458: .seealso: EPSLOBPCGSetBlockSize()
459: @*/
460: PetscErrorCode EPSLOBPCGGetBlockSize(EPS eps,PetscInt *bs)
461: {
462: PetscFunctionBegin;
464: PetscAssertPointer(bs,2);
465: PetscUseMethod(eps,"EPSLOBPCGGetBlockSize_C",(EPS,PetscInt*),(eps,bs));
466: PetscFunctionReturn(PETSC_SUCCESS);
467: }
469: static PetscErrorCode EPSLOBPCGSetRestart_LOBPCG(EPS eps,PetscReal restart)
470: {
471: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
473: PetscFunctionBegin;
474: if (restart==(PetscReal)PETSC_DEFAULT) restart = 0.9;
475: 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);
476: if (restart != ctx->restart) {
477: ctx->restart = restart;
478: eps->state = EPS_STATE_INITIAL;
479: }
480: PetscFunctionReturn(PETSC_SUCCESS);
481: }
483: /*@
484: EPSLOBPCGSetRestart - Sets the restart parameter for the LOBPCG method.
486: Logically Collective
488: Input Parameters:
489: + eps - the eigenproblem solver context
490: - restart - the percentage of the block of vectors to force a restart
492: Options Database Key:
493: . -eps_lobpcg_restart - Sets the restart parameter
495: Notes:
496: The meaning of this parameter is the proportion of vectors within the
497: current block iterate that must have converged in order to force a
498: restart with hard locking.
499: Allowed values are in the range [0.1,1.0]. The default is 0.9.
501: Level: advanced
503: .seealso: EPSLOBPCGGetRestart()
504: @*/
505: PetscErrorCode EPSLOBPCGSetRestart(EPS eps,PetscReal restart)
506: {
507: PetscFunctionBegin;
510: PetscTryMethod(eps,"EPSLOBPCGSetRestart_C",(EPS,PetscReal),(eps,restart));
511: PetscFunctionReturn(PETSC_SUCCESS);
512: }
514: static PetscErrorCode EPSLOBPCGGetRestart_LOBPCG(EPS eps,PetscReal *restart)
515: {
516: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
518: PetscFunctionBegin;
519: *restart = ctx->restart;
520: PetscFunctionReturn(PETSC_SUCCESS);
521: }
523: /*@
524: EPSLOBPCGGetRestart - Gets the restart parameter used in the LOBPCG method.
526: Not Collective
528: Input Parameter:
529: . eps - the eigenproblem solver context
531: Output Parameter:
532: . restart - the restart parameter
534: Level: advanced
536: .seealso: EPSLOBPCGSetRestart()
537: @*/
538: PetscErrorCode EPSLOBPCGGetRestart(EPS eps,PetscReal *restart)
539: {
540: PetscFunctionBegin;
542: PetscAssertPointer(restart,2);
543: PetscUseMethod(eps,"EPSLOBPCGGetRestart_C",(EPS,PetscReal*),(eps,restart));
544: PetscFunctionReturn(PETSC_SUCCESS);
545: }
547: static PetscErrorCode EPSLOBPCGSetLocking_LOBPCG(EPS eps,PetscBool lock)
548: {
549: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
551: PetscFunctionBegin;
552: ctx->lock = lock;
553: PetscFunctionReturn(PETSC_SUCCESS);
554: }
556: /*@
557: EPSLOBPCGSetLocking - Choose between locking and non-locking variants of
558: the LOBPCG method.
560: Logically Collective
562: Input Parameters:
563: + eps - the eigenproblem solver context
564: - lock - true if the locking variant must be selected
566: Options Database Key:
567: . -eps_lobpcg_locking - Sets the locking flag
569: Notes:
570: This flag refers to soft locking (converged vectors within the current
571: block iterate), since hard locking is always used (when nev is larger
572: than the block size).
574: Level: advanced
576: .seealso: EPSLOBPCGGetLocking()
577: @*/
578: PetscErrorCode EPSLOBPCGSetLocking(EPS eps,PetscBool lock)
579: {
580: PetscFunctionBegin;
583: PetscTryMethod(eps,"EPSLOBPCGSetLocking_C",(EPS,PetscBool),(eps,lock));
584: PetscFunctionReturn(PETSC_SUCCESS);
585: }
587: static PetscErrorCode EPSLOBPCGGetLocking_LOBPCG(EPS eps,PetscBool *lock)
588: {
589: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
591: PetscFunctionBegin;
592: *lock = ctx->lock;
593: PetscFunctionReturn(PETSC_SUCCESS);
594: }
596: /*@
597: EPSLOBPCGGetLocking - Gets the locking flag used in the LOBPCG method.
599: Not Collective
601: Input Parameter:
602: . eps - the eigenproblem solver context
604: Output Parameter:
605: . lock - the locking flag
607: Level: advanced
609: .seealso: EPSLOBPCGSetLocking()
610: @*/
611: PetscErrorCode EPSLOBPCGGetLocking(EPS eps,PetscBool *lock)
612: {
613: PetscFunctionBegin;
615: PetscAssertPointer(lock,2);
616: PetscUseMethod(eps,"EPSLOBPCGGetLocking_C",(EPS,PetscBool*),(eps,lock));
617: PetscFunctionReturn(PETSC_SUCCESS);
618: }
620: static PetscErrorCode EPSView_LOBPCG(EPS eps,PetscViewer viewer)
621: {
622: EPS_LOBPCG *ctx = (EPS_LOBPCG*)eps->data;
623: PetscBool isascii;
625: PetscFunctionBegin;
626: PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii));
627: if (isascii) {
628: PetscCall(PetscViewerASCIIPrintf(viewer," block size %" PetscInt_FMT "\n",ctx->bs));
629: PetscCall(PetscViewerASCIIPrintf(viewer," restart parameter=%g (using %" PetscInt_FMT " guard vectors)\n",(double)ctx->restart,ctx->guard));
630: PetscCall(PetscViewerASCIIPrintf(viewer," soft locking %sactivated\n",ctx->lock?"":"de"));
631: }
632: PetscFunctionReturn(PETSC_SUCCESS);
633: }
635: static PetscErrorCode EPSSetFromOptions_LOBPCG(EPS eps,PetscOptionItems *PetscOptionsObject)
636: {
637: PetscBool lock,flg;
638: PetscInt bs;
639: PetscReal restart;
641: PetscFunctionBegin;
642: PetscOptionsHeadBegin(PetscOptionsObject,"EPS LOBPCG Options");
644: PetscCall(PetscOptionsInt("-eps_lobpcg_blocksize","Block size","EPSLOBPCGSetBlockSize",20,&bs,&flg));
645: if (flg) PetscCall(EPSLOBPCGSetBlockSize(eps,bs));
647: PetscCall(PetscOptionsReal("-eps_lobpcg_restart","Percentage of the block of vectors to force a restart","EPSLOBPCGSetRestart",0.5,&restart,&flg));
648: if (flg) PetscCall(EPSLOBPCGSetRestart(eps,restart));
650: PetscCall(PetscOptionsBool("-eps_lobpcg_locking","Choose between locking and non-locking variants","EPSLOBPCGSetLocking",PETSC_TRUE,&lock,&flg));
651: if (flg) PetscCall(EPSLOBPCGSetLocking(eps,lock));
653: PetscOptionsHeadEnd();
654: PetscFunctionReturn(PETSC_SUCCESS);
655: }
657: static PetscErrorCode EPSDestroy_LOBPCG(EPS eps)
658: {
659: PetscFunctionBegin;
660: PetscCall(PetscFree(eps->data));
661: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetBlockSize_C",NULL));
662: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetBlockSize_C",NULL));
663: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetRestart_C",NULL));
664: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetRestart_C",NULL));
665: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetLocking_C",NULL));
666: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetLocking_C",NULL));
667: PetscFunctionReturn(PETSC_SUCCESS);
668: }
670: SLEPC_EXTERN PetscErrorCode EPSCreate_LOBPCG(EPS eps)
671: {
672: EPS_LOBPCG *lobpcg;
674: PetscFunctionBegin;
675: PetscCall(PetscNew(&lobpcg));
676: eps->data = (void*)lobpcg;
677: lobpcg->lock = PETSC_TRUE;
679: eps->useds = PETSC_TRUE;
680: eps->categ = EPS_CATEGORY_PRECOND;
682: eps->ops->solve = EPSSolve_LOBPCG;
683: eps->ops->setup = EPSSetUp_LOBPCG;
684: eps->ops->setupsort = EPSSetUpSort_Default;
685: eps->ops->setfromoptions = EPSSetFromOptions_LOBPCG;
686: eps->ops->destroy = EPSDestroy_LOBPCG;
687: eps->ops->view = EPSView_LOBPCG;
688: eps->ops->backtransform = EPSBackTransform_Default;
689: eps->ops->setdefaultst = EPSSetDefaultST_GMRES;
691: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetBlockSize_C",EPSLOBPCGSetBlockSize_LOBPCG));
692: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetBlockSize_C",EPSLOBPCGGetBlockSize_LOBPCG));
693: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetRestart_C",EPSLOBPCGSetRestart_LOBPCG));
694: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetRestart_C",EPSLOBPCGGetRestart_LOBPCG));
695: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGSetLocking_C",EPSLOBPCGSetLocking_LOBPCG));
696: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSLOBPCGGetLocking_C",EPSLOBPCGGetLocking_LOBPCG));
697: PetscFunctionReturn(PETSC_SUCCESS);
698: }