Actual source code: blzpack.c
slepc-3.6.3 2016-03-29
1: /*
2: This file implements a wrapper to the BLZPACK package
4: - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
5: SLEPc - Scalable Library for Eigenvalue Problem Computations
6: Copyright (c) 2002-2015, Universitat Politecnica de Valencia, Spain
8: This file is part of SLEPc.
10: SLEPc is free software: you can redistribute it and/or modify it under the
11: terms of version 3 of the GNU Lesser General Public License as published by
12: the Free Software Foundation.
14: SLEPc is distributed in the hope that it will be useful, but WITHOUT ANY
15: WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
16: FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for
17: more details.
19: You should have received a copy of the GNU Lesser General Public License
20: along with SLEPc. If not, see <http://www.gnu.org/licenses/>.
21: - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
22: */
24: #include <slepc/private/epsimpl.h> /*I "slepceps.h" I*/
25: #include <../src/eps/impls/external/blzpack/blzpackp.h>
27: PetscErrorCode EPSSolve_BLZPACK(EPS);
29: const char* blzpack_error[33] = {
30: "",
31: "illegal data, LFLAG ",
32: "illegal data, dimension of (U), (V), (X) ",
33: "illegal data, leading dimension of (U), (V), (X) ",
34: "illegal data, leading dimension of (EIG) ",
35: "illegal data, number of required eigenpairs ",
36: "illegal data, Lanczos algorithm block size ",
37: "illegal data, maximum number of steps ",
38: "illegal data, number of starting vectors ",
39: "illegal data, number of eigenpairs provided ",
40: "illegal data, problem type flag ",
41: "illegal data, spectrum slicing flag ",
42: "illegal data, eigenvectors purification flag ",
43: "illegal data, level of output ",
44: "illegal data, output file unit ",
45: "illegal data, LCOMM (MPI or PVM) ",
46: "illegal data, dimension of ISTOR ",
47: "illegal data, convergence threshold ",
48: "illegal data, dimension of RSTOR ",
49: "illegal data on at least one PE ",
50: "ISTOR(3:14) must be equal on all PEs ",
51: "RSTOR(1:3) must be equal on all PEs ",
52: "not enough space in ISTOR to start eigensolution ",
53: "not enough space in RSTOR to start eigensolution ",
54: "illegal data, number of negative eigenvalues ",
55: "illegal data, entries of V ",
56: "illegal data, entries of X ",
57: "failure in computational subinterval ",
58: "file I/O error, blzpack.__.BQ ",
59: "file I/O error, blzpack.__.BX ",
60: "file I/O error, blzpack.__.Q ",
61: "file I/O error, blzpack.__.X ",
62: "parallel interface error "
63: };
67: PetscErrorCode EPSSetUp_BLZPACK(EPS eps)
68: {
70: PetscInt listor,lrstor,ncuv,k1,k2,k3,k4;
71: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
72: PetscBool issinv,istrivial,flg;
75: if (eps->ncv) {
76: if (eps->ncv < PetscMin(eps->nev+10,eps->nev*2)) SETERRQ(PetscObjectComm((PetscObject)eps),0,"Warning: BLZpack recommends that ncv be larger than min(nev+10,nev*2)");
77: } else eps->ncv = PetscMin(eps->nev+10,eps->nev*2);
78: if (eps->mpd) { PetscInfo(eps,"Warning: parameter mpd ignored\n"); }
79: if (!eps->max_it) eps->max_it = PetscMax(1000,eps->n);
81: if (!blz->block_size) blz->block_size = 3;
82: if (!eps->ishermitian) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Requested method is only available for Hermitian problems");
83: if (eps->which==EPS_ALL) {
84: if (eps->inta==0.0 && eps->intb==0.0) SETERRQ(PetscObjectComm((PetscObject)eps),1,"Must define a computational interval when using EPS_ALL");
85: blz->slice = 1;
86: }
87: PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&issinv);
88: if (blz->slice || eps->isgeneralized) {
89: if (!issinv) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Shift-and-invert ST is needed for generalized problems or spectrum slicing");
90: }
91: if (blz->slice) {
92: if (eps->intb >= PETSC_MAX_REAL) { /* right-open interval */
93: if (eps->inta <= PETSC_MIN_REAL) SETERRQ(PetscObjectComm((PetscObject)eps),1,"The defined computational interval should have at least one of their sides bounded");
94: STSetDefaultShift(eps->st,eps->inta);
95: } else {
96: STSetDefaultShift(eps->st,eps->intb);
97: }
98: }
99: if (!eps->which) {
100: if (issinv) eps->which = EPS_TARGET_REAL;
101: else eps->which = EPS_SMALLEST_REAL;
102: }
103: if ((issinv && eps->which!=EPS_TARGET_REAL && eps->which!=EPS_TARGET_MAGNITUDE && eps->which!=EPS_ALL) || (!issinv && eps->which!=EPS_SMALLEST_REAL)) SETERRQ(PetscObjectComm((PetscObject)eps),1,"Wrong value of eps->which");
104: if (eps->arbitrary) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");
106: k1 = PetscMin(eps->n,180);
107: k2 = blz->block_size;
108: k4 = PetscMin(eps->ncv,eps->n);
109: k3 = 484+k1*(13+k1*2+k2+PetscMax(18,k2+2))+k2*k2*3+k4*2;
111: listor = 123+k1*12;
112: PetscFree(blz->istor);
113: PetscMalloc1((17+listor),&blz->istor);
114: PetscLogObjectMemory((PetscObject)eps,(17+listor)*sizeof(PetscBLASInt));
115: PetscBLASIntCast(listor,&blz->istor[14]);
117: if (blz->slice) lrstor = eps->nloc*(k2*4+k1*2+k4)+k3;
118: else lrstor = eps->nloc*(k2*4+k1)+k3;
119: lrstor*=10;
120: PetscFree(blz->rstor);
121: PetscMalloc1((4+lrstor),&blz->rstor);
122: PetscLogObjectMemory((PetscObject)eps,(4+lrstor)*sizeof(PetscReal));
123: blz->rstor[3] = lrstor;
125: ncuv = PetscMax(3,blz->block_size);
126: PetscFree(blz->u);
127: PetscMalloc1(ncuv*eps->nloc,&blz->u);
128: PetscLogObjectMemory((PetscObject)eps,ncuv*eps->nloc*sizeof(PetscScalar));
129: PetscFree(blz->v);
130: PetscMalloc1(ncuv*eps->nloc,&blz->v);
131: PetscLogObjectMemory((PetscObject)eps,ncuv*eps->nloc*sizeof(PetscScalar));
133: PetscFree(blz->eig);
134: PetscMalloc1(2*eps->ncv,&blz->eig);
135: PetscLogObjectMemory((PetscObject)eps,2*eps->ncv*sizeof(PetscReal));
137: if (eps->extraction) { PetscInfo(eps,"Warning: extraction type ignored\n"); }
139: EPSAllocateSolution(eps,0);
140: EPS_SetInnerProduct(eps);
141: PetscObjectTypeCompare((PetscObject)eps->V,BVVECS,&flg);
142: if (flg) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver requires a BV with contiguous storage");
143: RGIsTrivial(eps->rg,&istrivial);
144: if (!istrivial) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support region filtering");
146: /* dispatch solve method */
147: eps->ops->solve = EPSSolve_BLZPACK;
148: return(0);
149: }
153: PetscErrorCode EPSSolve_BLZPACK(EPS eps)
154: {
156: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
157: PetscInt nn;
158: PetscBLASInt i,nneig,lflag,nvopu;
159: Vec x,y,v0;
160: PetscScalar sigma,*pV;
161: Mat A;
162: KSP ksp;
163: PC pc;
166: VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&x);
167: VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&y);
168: EPSGetStartVector(eps,0,NULL);
169: BVSetActiveColumns(eps->V,0,0); /* just for deflation space */
170: BVGetColumn(eps->V,0,&v0);
171: VecGetArray(v0,&pV);
173: if (eps->isgeneralized && !blz->slice) {
174: STGetShift(eps->st,&sigma); /* shift of origin */
175: blz->rstor[0] = sigma; /* lower limit of eigenvalue interval */
176: blz->rstor[1] = sigma; /* upper limit of eigenvalue interval */
177: } else {
178: sigma = 0.0;
179: blz->rstor[0] = eps->inta; /* lower limit of eigenvalue interval */
180: blz->rstor[1] = eps->intb; /* upper limit of eigenvalue interval */
181: }
182: nneig = 0; /* no. of eigs less than sigma */
184: PetscBLASIntCast(eps->nloc,&blz->istor[0]); /* no. of rows of U, V, X */
185: PetscBLASIntCast(eps->nloc,&blz->istor[1]); /* leading dim of U, V, X */
186: PetscBLASIntCast(eps->nev,&blz->istor[2]); /* required eigenpairs */
187: PetscBLASIntCast(eps->ncv,&blz->istor[3]); /* working eigenpairs */
188: blz->istor[4] = blz->block_size; /* number of vectors in a block */
189: blz->istor[5] = blz->nsteps; /* maximun number of steps per run */
190: blz->istor[6] = 1; /* number of starting vectors as input */
191: blz->istor[7] = 0; /* number of eigenpairs given as input */
192: blz->istor[8] = (blz->slice || eps->isgeneralized) ? 1 : 0; /* problem type */
193: blz->istor[9] = blz->slice; /* spectrum slicing */
194: blz->istor[10] = eps->isgeneralized ? 1 : 0; /* solutions refinement (purify) */
195: blz->istor[11] = 0; /* level of printing */
196: blz->istor[12] = 6; /* file unit for output */
197: PetscBLASIntCast(MPI_Comm_c2f(PetscObjectComm((PetscObject)eps)),&blz->istor[13]);
199: blz->rstor[2] = eps->tol; /* threshold for convergence */
201: lflag = 0; /* reverse communication interface flag */
203: do {
204: BLZpack_(blz->istor,blz->rstor,&sigma,&nneig,blz->u,blz->v,&lflag,&nvopu,blz->eig,pV);
206: switch (lflag) {
207: case 1:
208: /* compute v = OP u */
209: for (i=0;i<nvopu;i++) {
210: VecPlaceArray(x,blz->u+i*eps->nloc);
211: VecPlaceArray(y,blz->v+i*eps->nloc);
212: if (blz->slice || eps->isgeneralized) {
213: STMatSolve(eps->st,x,y);
214: } else {
215: STApply(eps->st,x,y);
216: }
217: BVOrthogonalizeVec(eps->V,y,NULL,NULL,NULL);
218: VecResetArray(x);
219: VecResetArray(y);
220: }
221: /* monitor */
222: eps->nconv = BLZistorr_(blz->istor,"NTEIG",5);
223: EPSMonitor(eps,eps->its,eps->nconv,
224: blz->rstor+BLZistorr_(blz->istor,"IRITZ",5),
225: eps->eigi,
226: blz->rstor+BLZistorr_(blz->istor,"IRITZ",5)+BLZistorr_(blz->istor,"JT",2),
227: BLZistorr_(blz->istor,"NRITZ",5));
228: eps->its = eps->its + 1;
229: if (eps->its >= eps->max_it || eps->nconv >= eps->nev) lflag = 5;
230: break;
231: case 2:
232: /* compute v = B u */
233: for (i=0;i<nvopu;i++) {
234: VecPlaceArray(x,blz->u+i*eps->nloc);
235: VecPlaceArray(y,blz->v+i*eps->nloc);
236: BVApplyMatrix(eps->V,x,y);
237: VecResetArray(x);
238: VecResetArray(y);
239: }
240: break;
241: case 3:
242: /* update shift */
243: PetscInfo1(eps,"Factorization update (sigma=%g)\n",(double)sigma);
244: STSetShift(eps->st,sigma);
245: STGetKSP(eps->st,&ksp);
246: KSPGetPC(ksp,&pc);
247: PCFactorGetMatrix(pc,&A);
248: MatGetInertia(A,&nn,NULL,NULL);
249: PetscBLASIntCast(nn,&nneig);
250: break;
251: case 4:
252: /* copy the initial vector */
253: VecPlaceArray(x,blz->v);
254: VecCopy(v0,x);
255: VecResetArray(x);
256: break;
257: }
259: } while (lflag > 0);
261: VecRestoreArray(v0,&pV);
262: BVRestoreColumn(eps->V,0,&v0);
264: eps->nconv = BLZistorr_(blz->istor,"NTEIG",5);
265: eps->reason = EPS_CONVERGED_TOL;
267: for (i=0;i<eps->nconv;i++) {
268: eps->eigr[i]=blz->eig[i];
269: }
271: if (lflag!=0) {
272: char msg[2048] = "";
273: for (i = 0; i < 33; i++) {
274: if (blz->istor[15] & (1 << i)) PetscStrcat(msg,blzpack_error[i]);
275: }
276: SETERRQ2(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error in BLZPACK (code=%d): '%s'",blz->istor[15],msg);
277: }
278: VecDestroy(&x);
279: VecDestroy(&y);
280: return(0);
281: }
285: PetscErrorCode EPSBackTransform_BLZPACK(EPS eps)
286: {
288: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
291: if (!blz->slice && !eps->isgeneralized) {
292: EPSBackTransform_Default(eps);
293: }
294: return(0);
295: }
299: PetscErrorCode EPSReset_BLZPACK(EPS eps)
300: {
302: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
305: PetscFree(blz->istor);
306: PetscFree(blz->rstor);
307: PetscFree(blz->u);
308: PetscFree(blz->v);
309: PetscFree(blz->eig);
310: return(0);
311: }
315: PetscErrorCode EPSDestroy_BLZPACK(EPS eps)
316: {
320: PetscFree(eps->data);
321: PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetBlockSize_C",NULL);
322: PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetNSteps_C",NULL);
323: return(0);
324: }
328: PetscErrorCode EPSView_BLZPACK(EPS eps,PetscViewer viewer)
329: {
331: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
332: PetscBool isascii;
335: PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
336: if (isascii) {
337: PetscViewerASCIIPrintf(viewer," BLZPACK: block size=%d\n",blz->block_size);
338: PetscViewerASCIIPrintf(viewer," BLZPACK: maximum number of steps per run=%d\n",blz->nsteps);
339: if (blz->slice) {
340: PetscViewerASCIIPrintf(viewer," BLZPACK: computational interval [%f,%f]\n",eps->inta,eps->intb);
341: }
342: }
343: return(0);
344: }
348: PetscErrorCode EPSSetFromOptions_BLZPACK(PetscOptions *PetscOptionsObject,EPS eps)
349: {
351: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
352: PetscInt bs,n;
353: PetscBool flg;
356: PetscOptionsHead(PetscOptionsObject,"EPS BLZPACK Options");
358: bs = blz->block_size;
359: PetscOptionsInt("-eps_blzpack_block_size","Block size","EPSBlzpackSetBlockSize",bs,&bs,&flg);
360: if (flg) {
361: EPSBlzpackSetBlockSize(eps,bs);
362: }
364: n = blz->nsteps;
365: PetscOptionsInt("-eps_blzpack_nsteps","Number of steps","EPSBlzpackSetNSteps",n,&n,&flg);
366: if (flg) {
367: EPSBlzpackSetNSteps(eps,n);
368: }
370: PetscOptionsTail();
371: return(0);
372: }
376: static PetscErrorCode EPSBlzpackSetBlockSize_BLZPACK(EPS eps,PetscInt bs)
377: {
379: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
382: if (bs == PETSC_DEFAULT) blz->block_size = 3;
383: else if (bs <= 0) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Block size must be positive");
384: else {
385: PetscBLASIntCast(bs,&blz->block_size);
386: }
387: return(0);
388: }
392: /*@
393: EPSBlzpackSetBlockSize - Sets the block size for the BLZPACK package.
395: Collective on EPS
397: Input Parameters:
398: + eps - the eigenproblem solver context
399: - bs - block size
401: Options Database Key:
402: . -eps_blzpack_block_size - Sets the value of the block size
404: Level: advanced
405: @*/
406: PetscErrorCode EPSBlzpackSetBlockSize(EPS eps,PetscInt bs)
407: {
413: PetscTryMethod(eps,"EPSBlzpackSetBlockSize_C",(EPS,PetscInt),(eps,bs));
414: return(0);
415: }
419: static PetscErrorCode EPSBlzpackSetNSteps_BLZPACK(EPS eps,PetscInt nsteps)
420: {
422: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
425: if (nsteps == PETSC_DEFAULT) blz->nsteps = 0;
426: else {
427: PetscBLASIntCast(nsteps,&blz->nsteps);
428: }
429: return(0);
430: }
434: /*@
435: EPSBlzpackSetNSteps - Sets the maximum number of steps per run for the BLZPACK
436: package.
438: Collective on EPS
440: Input Parameters:
441: + eps - the eigenproblem solver context
442: - nsteps - maximum number of steps
444: Options Database Key:
445: . -eps_blzpack_nsteps - Sets the maximum number of steps per run
447: Level: advanced
449: @*/
450: PetscErrorCode EPSBlzpackSetNSteps(EPS eps,PetscInt nsteps)
451: {
457: PetscTryMethod(eps,"EPSBlzpackSetNSteps_C",(EPS,PetscInt),(eps,nsteps));
458: return(0);
459: }
463: PETSC_EXTERN PetscErrorCode EPSCreate_BLZPACK(EPS eps)
464: {
466: EPS_BLZPACK *blzpack;
469: PetscNewLog(eps,&blzpack);
470: eps->data = (void*)blzpack;
472: eps->ops->setup = EPSSetUp_BLZPACK;
473: eps->ops->setfromoptions = EPSSetFromOptions_BLZPACK;
474: eps->ops->destroy = EPSDestroy_BLZPACK;
475: eps->ops->reset = EPSReset_BLZPACK;
476: eps->ops->view = EPSView_BLZPACK;
477: eps->ops->backtransform = EPSBackTransform_BLZPACK;
478: PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetBlockSize_C",EPSBlzpackSetBlockSize_BLZPACK);
479: PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetNSteps_C",EPSBlzpackSetNSteps_BLZPACK);
480: return(0);
481: }