Actual source code: blzpack.c
1: /*
2: This file implements a wrapper to the BLZPACK package
4: - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
5: SLEPc - Scalable Library for Eigenvalue Problem Computations
6: Copyright (c) 2002-2011, Universitat Politecnica de Valencia, Spain
8: This file is part of SLEPc.
9:
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 <private/epsimpl.h> /*I "slepceps.h" I*/
25: #include <private/stimpl.h> /*I "slepcst.h" I*/
26: #include <../src/eps/impls/external/blzpack/blzpackp.h>
28: PetscErrorCode EPSSolve_BLZPACK(EPS);
30: const char* blzpack_error[33] = {
31: "",
32: "illegal data, LFLAG ",
33: "illegal data, dimension of (U), (V), (X) ",
34: "illegal data, leading dimension of (U), (V), (X) ",
35: "illegal data, leading dimension of (EIG) ",
36: "illegal data, number of required eigenpairs ",
37: "illegal data, Lanczos algorithm block size ",
38: "illegal data, maximum number of steps ",
39: "illegal data, number of starting vectors ",
40: "illegal data, number of eigenpairs provided ",
41: "illegal data, problem type flag ",
42: "illegal data, spectrum slicing flag ",
43: "illegal data, eigenvectors purification flag ",
44: "illegal data, level of output ",
45: "illegal data, output file unit ",
46: "illegal data, LCOMM (MPI or PVM) ",
47: "illegal data, dimension of ISTOR ",
48: "illegal data, convergence threshold ",
49: "illegal data, dimension of RSTOR ",
50: "illegal data on at least one PE ",
51: "ISTOR(3:14) must be equal on all PEs ",
52: "RSTOR(1:3) must be equal on all PEs ",
53: "not enough space in ISTOR to start eigensolution ",
54: "not enough space in RSTOR to start eigensolution ",
55: "illegal data, number of negative eigenvalues ",
56: "illegal data, entries of V ",
57: "illegal data, entries of X ",
58: "failure in computational subinterval ",
59: "file I/O error, blzpack.__.BQ ",
60: "file I/O error, blzpack.__.BX ",
61: "file I/O error, blzpack.__.Q ",
62: "file I/O error, blzpack.__.X ",
63: "parallel interface error "
64: };
68: PetscErrorCode EPSSetUp_BLZPACK(EPS eps)
69: {
71: PetscInt listor,lrstor,ncuv,k1,k2,k3,k4;
72: EPS_BLZPACK *blz = (EPS_BLZPACK *)eps->data;
73: PetscBool issinv;
76: if (eps->ncv) {
77: if (eps->ncv < PetscMin(eps->nev+10,eps->nev*2))
78: SETERRQ(((PetscObject)eps)->comm,0,"Warning: BLZpack recommends that ncv be larger than min(nev+10,nev*2)");
79: }
80: else eps->ncv = PetscMin(eps->nev+10,eps->nev*2);
81: if (eps->mpd) { PetscInfo(eps,"Warning: parameter mpd ignored\n"); }
82: if (!eps->max_it) eps->max_it = PetscMax(1000,eps->n);
84: if (!eps->ishermitian)
85: SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Requested method is only available for Hermitian problems");
86: if (eps->which==EPS_ALL) {
87: if (eps->inta==0.0 && eps->intb==0.0) SETERRQ(((PetscObject)eps)->comm,1,"Must define a computational interval when using EPS_ALL");
88: blz->slice = 1;
89: }
90: PetscTypeCompare((PetscObject)eps->OP,STSINVERT,&issinv);
91: if (blz->slice || eps->isgeneralized) {
92: if (!issinv) SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Shift-and-invert ST is needed for generalized problems or spectrum slicing");
93: }
94: if (blz->slice) {
95: if (eps->intb >= PETSC_MAX_REAL) { /* right-open interval */
96: if (eps->inta <= PETSC_MIN_REAL) SETERRQ(((PetscObject)eps)->comm,1,"The defined computational interval should have at least one of their sides bounded");
97: STSetDefaultShift(eps->OP,eps->inta);
98: }
99: else { STSetDefaultShift(eps->OP,eps->intb); }
100: }
101: if (!eps->which) {
102: if (issinv) eps->which = EPS_TARGET_REAL;
103: else eps->which = EPS_SMALLEST_REAL;
104: }
105: if ((issinv && eps->which!=EPS_TARGET_REAL && eps->which!=EPS_TARGET_MAGNITUDE && eps->which!=EPS_ALL) || (!issinv && eps->which!=EPS_SMALLEST_REAL))
106: SETERRQ(((PetscObject)eps)->comm,1,"Wrong value of eps->which");
108: k1 = PetscMin(eps->n,180);
109: k2 = blz->block_size;
110: k4 = PetscMin(eps->ncv,eps->n);
111: k3 = 484+k1*(13+k1*2+k2+PetscMax(18,k2+2))+k2*k2*3+k4*2;
113: listor = 123+k1*12;
114: PetscFree(blz->istor);
115: PetscMalloc((17+listor)*sizeof(PetscBLASInt),&blz->istor);
116: blz->istor[14] = PetscBLASIntCast(listor);
118: if (blz->slice) lrstor = eps->nloc*(k2*4+k1*2+k4)+k3;
119: else lrstor = eps->nloc*(k2*4+k1)+k3;
120: lrstor*=10;
121: PetscFree(blz->rstor);
122: PetscMalloc((4+lrstor)*sizeof(PetscReal),&blz->rstor);
123: blz->rstor[3] = lrstor;
125: ncuv = PetscMax(3,blz->block_size);
126: PetscFree(blz->u);
127: PetscMalloc(ncuv*eps->nloc*sizeof(PetscScalar),&blz->u);
128: PetscFree(blz->v);
129: PetscMalloc(ncuv*eps->nloc*sizeof(PetscScalar),&blz->v);
131: PetscFree(blz->eig);
132: PetscMalloc(2*eps->ncv*sizeof(PetscReal),&blz->eig);
134: if (eps->extraction) { PetscInfo(eps,"Warning: extraction type ignored\n"); }
136: EPSAllocateSolution(eps);
138: /* dispatch solve method */
139: if (eps->leftvecs) SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Left vectors not supported in this solver");
140: eps->ops->solve = EPSSolve_BLZPACK;
141: return(0);
142: }
146: PetscErrorCode EPSSolve_BLZPACK(EPS eps)
147: {
149: EPS_BLZPACK *blz = (EPS_BLZPACK *)eps->data;
150: PetscInt nn;
151: PetscBLASInt i,nneig,lflag,nvopu;
152: Vec x,y;
153: PetscScalar sigma,*pV;
154: Mat A;
155: KSP ksp;
156: PC pc;
157:
159: VecCreateMPIWithArray(((PetscObject)eps)->comm,eps->nloc,PETSC_DECIDE,PETSC_NULL,&x);
160: VecCreateMPIWithArray(((PetscObject)eps)->comm,eps->nloc,PETSC_DECIDE,PETSC_NULL,&y);
161: VecGetArray(eps->V[0],&pV);
162:
163: if (eps->isgeneralized && !blz->slice) {
164: STGetShift(eps->OP,&sigma); /* shift of origin */
165: blz->rstor[0] = sigma; /* lower limit of eigenvalue interval */
166: blz->rstor[1] = sigma; /* upper limit of eigenvalue interval */
167: } else {
168: sigma = 0.0;
169: blz->rstor[0] = eps->inta; /* lower limit of eigenvalue interval */
170: blz->rstor[1] = eps->intb; /* upper limit of eigenvalue interval */
171: }
172: nneig = 0; /* no. of eigs less than sigma */
174: blz->istor[0] = PetscBLASIntCast(eps->nloc); /* number of rows of U, V, X*/
175: blz->istor[1] = PetscBLASIntCast(eps->nloc); /* leading dimension of U, V, X */
176: blz->istor[2] = PetscBLASIntCast(eps->nev); /* number of required eigenpairs */
177: blz->istor[3] = PetscBLASIntCast(eps->ncv); /* number of working eigenpairs */
178: blz->istor[4] = blz->block_size; /* number of vectors in a block */
179: blz->istor[5] = blz->nsteps; /* maximun number of steps per run */
180: blz->istor[6] = 1; /* number of starting vectors as input */
181: blz->istor[7] = 0; /* number of eigenpairs given as input */
182: blz->istor[8] = (blz->slice || eps->isgeneralized) ? 1 : 0; /* problem type */
183: blz->istor[9] = blz->slice; /* spectrum slicing */
184: blz->istor[10] = eps->isgeneralized ? 1 : 0; /* solutions refinement (purify) */
185: blz->istor[11] = 0; /* level of printing */
186: blz->istor[12] = 6; /* file unit for output */
187: blz->istor[13] = PetscBLASIntCast(MPI_Comm_c2f(((PetscObject)eps)->comm)); /* communicator */
189: blz->rstor[2] = eps->tol; /* threshold for convergence */
191: lflag = 0; /* reverse communication interface flag */
193: do {
194: BLZpack_(blz->istor,blz->rstor,&sigma,&nneig,blz->u,blz->v,&lflag,&nvopu,blz->eig,pV);
196: switch (lflag) {
197: case 1:
198: /* compute v = OP u */
199: for (i=0;i<nvopu;i++) {
200: VecPlaceArray(x,blz->u+i*eps->nloc);
201: VecPlaceArray(y,blz->v+i*eps->nloc);
202: if (blz->slice || eps->isgeneralized) {
203: STAssociatedKSPSolve(eps->OP,x,y);
204: } else {
205: STApply(eps->OP,x,y);
206: }
207: IPOrthogonalize(eps->ip,0,PETSC_NULL,eps->nds,PETSC_NULL,eps->DS,y,PETSC_NULL,PETSC_NULL,PETSC_NULL);
208: VecResetArray(x);
209: VecResetArray(y);
210: }
211: /* monitor */
212: eps->nconv = BLZistorr_(blz->istor,"NTEIG",5);
213: EPSMonitor(eps,eps->its,eps->nconv,
214: blz->rstor+BLZistorr_(blz->istor,"IRITZ",5),
215: eps->eigi,
216: blz->rstor+BLZistorr_(blz->istor,"IRITZ",5)+BLZistorr_(blz->istor,"JT",2),
217: BLZistorr_(blz->istor,"NRITZ",5));
218: eps->its = eps->its + 1;
219: if (eps->its >= eps->max_it || eps->nconv >= eps->nev) lflag = 5;
220: break;
221: case 2:
222: /* compute v = B u */
223: for (i=0;i<nvopu;i++) {
224: VecPlaceArray(x,blz->u+i*eps->nloc);
225: VecPlaceArray(y,blz->v+i*eps->nloc);
226: IPApplyMatrix(eps->ip,x,y);
227: VecResetArray(x);
228: VecResetArray(y);
229: }
230: break;
231: case 3:
232: /* update shift */
233: PetscInfo1(eps,"Factorization update (sigma=%g)\n",sigma);
234: STSetShift(eps->OP,sigma);
235: STGetKSP(eps->OP,&ksp);
236: KSPGetPC(ksp,&pc);
237: PCFactorGetMatrix(pc,&A);
238: MatGetInertia(A,&nn,PETSC_NULL,PETSC_NULL);
239: nneig = PetscBLASIntCast(nn);
240: break;
241: case 4:
242: /* copy the initial vector */
243: VecPlaceArray(x,blz->v);
244: EPSGetStartVector(eps,0,x,PETSC_NULL);
245: VecResetArray(x);
246: break;
247: }
248:
249: } while (lflag > 0);
251: VecRestoreArray(eps->V[0],&pV);
253: eps->nconv = BLZistorr_(blz->istor,"NTEIG",5);
254: eps->reason = EPS_CONVERGED_TOL;
256: for (i=0;i<eps->nconv;i++) {
257: eps->eigr[i]=blz->eig[i];
258: }
260: if (lflag!=0) {
261: char msg[2048] = "";
262: for (i = 0; i < 33; i++) {
263: if (blz->istor[15] & (1 << i)) PetscStrcat(msg,blzpack_error[i]);
264: }
265: SETERRQ2(((PetscObject)eps)->comm,PETSC_ERR_LIB,"Error in BLZPACK (code=%d): '%s'",blz->istor[15],msg);
266: }
267: VecDestroy(&x);
268: VecDestroy(&y);
269: return(0);
270: }
274: PetscErrorCode EPSBackTransform_BLZPACK(EPS eps)
275: {
277: EPS_BLZPACK *blz = (EPS_BLZPACK *)eps->data;
280: if (!blz->slice && !eps->isgeneralized) {
281: EPSBackTransform_Default(eps);
282: }
283: return(0);
284: }
288: PetscErrorCode EPSReset_BLZPACK(EPS eps)
289: {
291: EPS_BLZPACK *blz = (EPS_BLZPACK *)eps->data;
294: PetscFree(blz->istor);
295: PetscFree(blz->rstor);
296: PetscFree(blz->u);
297: PetscFree(blz->v);
298: PetscFree(blz->eig);
299: EPSFreeSolution(eps);
300: return(0);
301: }
305: PetscErrorCode EPSDestroy_BLZPACK(EPS eps)
306: {
310: PetscFree(eps->data);
311: PetscObjectComposeFunctionDynamic((PetscObject)eps,"EPSBlzpackSetBlockSize_C","",PETSC_NULL);
312: PetscObjectComposeFunctionDynamic((PetscObject)eps,"EPSBlzpackSetNSteps_C","",PETSC_NULL);
313: return(0);
314: }
318: PetscErrorCode EPSView_BLZPACK(EPS eps,PetscViewer viewer)
319: {
321: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
322: PetscBool isascii;
325: PetscTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
326: if (!isascii) {
327: SETERRQ1(((PetscObject)eps)->comm,1,"Viewer type %s not supported for EPSBLZPACK",((PetscObject)viewer)->type_name);
328: }
329: PetscViewerASCIIPrintf(viewer," BLZPACK: block size=%d\n",blz->block_size);
330: PetscViewerASCIIPrintf(viewer," BLZPACK: maximum number of steps per run=%d\n",blz->nsteps);
331: if (blz->slice) {
332: PetscViewerASCIIPrintf(viewer," BLZPACK: computational interval [%f,%f]\n",eps->inta,eps->intb);
333: }
334: return(0);
335: }
339: PetscErrorCode EPSSetFromOptions_BLZPACK(EPS eps)
340: {
342: EPS_BLZPACK *blz = (EPS_BLZPACK *)eps->data;
343: PetscInt bs,n;
344: PetscBool flg;
347: PetscOptionsHead("EPS BLZPACK Options");
349: bs = blz->block_size;
350: PetscOptionsInt("-eps_blzpack_block_size","Block size","EPSBlzpackSetBlockSize",bs,&bs,&flg);
351: if (flg) {EPSBlzpackSetBlockSize(eps,bs);}
353: n = blz->nsteps;
354: PetscOptionsInt("-eps_blzpack_nsteps","Number of steps","EPSBlzpackSetNSteps",n,&n,&flg);
355: if (flg) {EPSBlzpackSetNSteps(eps,n);}
357: PetscOptionsTail();
358: return(0);
359: }
364: PetscErrorCode EPSBlzpackSetBlockSize_BLZPACK(EPS eps,PetscInt bs)
365: {
366: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;;
369: if (bs == PETSC_DEFAULT) blz->block_size = 3;
370: else if (bs <= 0) {
371: SETERRQ(((PetscObject)eps)->comm,1,"Incorrect block size");
372: } else blz->block_size = PetscBLASIntCast(bs);
373: return(0);
374: }
379: /*@
380: EPSBlzpackSetBlockSize - Sets the block size for the BLZPACK package.
382: Collective on EPS
384: Input Parameters:
385: + eps - the eigenproblem solver context
386: - bs - block size
388: Options Database Key:
389: . -eps_blzpack_block_size - Sets the value of the block size
391: Level: advanced
392: @*/
393: PetscErrorCode EPSBlzpackSetBlockSize(EPS eps,PetscInt bs)
394: {
400: PetscTryMethod(eps,"EPSBlzpackSetBlockSize_C",(EPS,PetscInt),(eps,bs));
401: return(0);
402: }
407: PetscErrorCode EPSBlzpackSetNSteps_BLZPACK(EPS eps,PetscInt nsteps)
408: {
409: EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;
412: if (nsteps == PETSC_DEFAULT) blz->nsteps = 0;
413: else { blz->nsteps = PetscBLASIntCast(nsteps); }
414: return(0);
415: }
420: /*@
421: EPSBlzpackSetNSteps - Sets the maximum number of steps per run for the BLZPACK
422: package.
424: Collective on EPS
426: Input Parameters:
427: + eps - the eigenproblem solver context
428: - nsteps - maximum number of steps
430: Options Database Key:
431: . -eps_blzpack_nsteps - Sets the maximum number of steps per run
433: Level: advanced
435: @*/
436: PetscErrorCode EPSBlzpackSetNSteps(EPS eps,PetscInt nsteps)
437: {
443: PetscTryMethod(eps,"EPSBlzpackSetNSteps_C",(EPS,PetscInt),(eps,nsteps));
444: return(0);
445: }
450: PetscErrorCode EPSCreate_BLZPACK(EPS eps)
451: {
453: EPS_BLZPACK *blzpack;
456: PetscNewLog(eps,EPS_BLZPACK,&blzpack);
457: eps->data = (void*)blzpack;
458: eps->ops->setup = EPSSetUp_BLZPACK;
459: eps->ops->setfromoptions = EPSSetFromOptions_BLZPACK;
460: eps->ops->destroy = EPSDestroy_BLZPACK;
461: eps->ops->reset = EPSReset_BLZPACK;
462: eps->ops->view = EPSView_BLZPACK;
463: eps->ops->backtransform = EPSBackTransform_BLZPACK;
464: eps->ops->computevectors = EPSComputeVectors_Default;
466: blzpack->block_size = 3;
467: blzpack->slice = 0;
468: blzpack->nsteps = 0;
470: PetscObjectComposeFunctionDynamic((PetscObject)eps,"EPSBlzpackSetBlockSize_C","EPSBlzpackSetBlockSize_BLZPACK",EPSBlzpackSetBlockSize_BLZPACK);
471: PetscObjectComposeFunctionDynamic((PetscObject)eps,"EPSBlzpackSetNSteps_C","EPSBlzpackSetNSteps_BLZPACK",EPSBlzpackSetNSteps_BLZPACK);
472: return(0);
473: }