Actual source code: feast.c
slepc-3.21.0 2024-03-30
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: This file implements a wrapper to the FEAST solver in MKL
12: */
14: #include <petscsys.h>
15: #if defined(PETSC_HAVE_MKL_INTEL_ILP64)
16: #define MKL_ILP64
17: #endif
18: #include <mkl.h>
19: #include <slepc/private/epsimpl.h>
21: #if defined(PETSC_USE_COMPLEX)
22: # if defined(PETSC_USE_REAL_SINGLE)
23: # define FEAST_RCI cfeast_hrci
24: # define SCALAR_CAST (MKL_Complex8*)
25: # else
26: # define FEAST_RCI zfeast_hrci
27: # define SCALAR_CAST (MKL_Complex16*)
28: # endif
29: #else
30: # if defined(PETSC_USE_REAL_SINGLE)
31: # define FEAST_RCI sfeast_srci
32: # else
33: # define FEAST_RCI dfeast_srci
34: # endif
35: # define SCALAR_CAST
36: #endif
38: typedef struct {
39: PetscInt npoints; /* number of contour points */
40: PetscScalar *work1,*Aq,*Bq; /* workspace */
41: #if defined(PETSC_USE_REAL_SINGLE)
42: MKL_Complex8 *work2;
43: #else
44: MKL_Complex16 *work2;
45: #endif
46: } EPS_FEAST;
48: static PetscErrorCode EPSSetUp_FEAST(EPS eps)
49: {
50: PetscInt ncv;
51: EPS_FEAST *ctx = (EPS_FEAST*)eps->data;
52: PetscMPIInt size;
54: PetscFunctionBegin;
55: PetscCallMPI(MPI_Comm_size(PetscObjectComm((PetscObject)eps),&size));
56: PetscCheck(size==1,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"The FEAST interface is supported for sequential runs only");
57: EPSCheckHermitianDefinite(eps);
58: EPSCheckSinvertCayley(eps);
59: if (eps->ncv!=PETSC_DEFAULT) {
60: PetscCheck(eps->ncv>=eps->nev+2,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The value of ncv must be at least nev+2");
61: } else eps->ncv = PetscMin(PetscMax(20,2*eps->nev+1),eps->n); /* set default value of ncv */
62: if (eps->mpd!=PETSC_DEFAULT) PetscCall(PetscInfo(eps,"Warning: parameter mpd ignored\n"));
63: if (eps->max_it==PETSC_DEFAULT) eps->max_it = 20;
64: if (!eps->which) eps->which = EPS_ALL;
65: PetscCheck(eps->which==EPS_ALL && eps->inta!=eps->intb,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver must be used with a computational interval");
66: EPSCheckUnsupported(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_ARBITRARY | EPS_FEATURE_CONVERGENCE | EPS_FEATURE_STOPPING | EPS_FEATURE_TWOSIDED);
67: EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION);
69: if (!ctx->npoints) ctx->npoints = 8;
71: ncv = eps->ncv;
72: PetscCall(PetscFree4(ctx->work1,ctx->work2,ctx->Aq,ctx->Bq));
73: PetscCall(PetscMalloc4(eps->nloc*ncv,&ctx->work1,eps->nloc*ncv,&ctx->work2,ncv*ncv,&ctx->Aq,ncv*ncv,&ctx->Bq));
75: PetscCall(EPSAllocateSolution(eps,0));
76: PetscCall(EPSSetWorkVecs(eps,2));
77: PetscFunctionReturn(PETSC_SUCCESS);
78: }
80: static PetscErrorCode EPSSolve_FEAST(EPS eps)
81: {
82: EPS_FEAST *ctx = (EPS_FEAST*)eps->data;
83: MKL_INT fpm[128],ijob,n,ncv,nconv,loop,info;
84: PetscReal *evals,epsout=0.0;
85: PetscInt i,k,nmat,ld;
86: PetscScalar *pV,*pz,*X=NULL;
87: Vec x,y,w=eps->work[0],z=eps->work[1];
88: Mat A,B;
89: #if defined(PETSC_USE_REAL_SINGLE)
90: MKL_Complex8 Ze;
91: #else
92: MKL_Complex16 Ze;
93: #endif
95: PetscFunctionBegin;
96: ncv = eps->ncv;
97: n = eps->nloc;
99: /* parameters */
100: feastinit(fpm);
101: fpm[0] = (eps->numbermonitors>0)? 1: 0; /* runtime comments */
102: fpm[1] = ctx->npoints; /* contour points */
103: #if !defined(PETSC_USE_REAL_SINGLE)
104: fpm[2] = -PetscLog10Real(eps->tol); /* tolerance for trace */
105: #endif
106: fpm[3] = eps->max_it; /* refinement loops */
107: fpm[5] = 1; /* second stopping criterion */
108: #if defined(PETSC_USE_REAL_SINGLE)
109: fpm[6] = -PetscLog10Real(eps->tol); /* tolerance for trace */
110: #endif
112: PetscCall(PetscMalloc1(eps->ncv,&evals));
113: PetscCall(BVGetLeadingDimension(eps->V,&ld));
114: PetscCall(BVGetArray(eps->V,&pV));
115: if (ld==n) X = pV;
116: else PetscCall(PetscMalloc1(eps->ncv*n,&X));
118: ijob = -1; /* first call to reverse communication interface */
119: PetscCall(STGetNumMatrices(eps->st,&nmat));
120: PetscCall(STGetMatrix(eps->st,0,&A));
121: if (nmat>1) PetscCall(STGetMatrix(eps->st,1,&B));
122: else B = NULL;
123: PetscCall(MatCreateVecsEmpty(A,&x,&y));
125: do {
127: FEAST_RCI(&ijob,&n,&Ze,SCALAR_CAST ctx->work1,ctx->work2,SCALAR_CAST ctx->Aq,SCALAR_CAST ctx->Bq,fpm,&epsout,&loop,&eps->inta,&eps->intb,&ncv,evals,SCALAR_CAST X,&nconv,eps->errest,&info);
129: PetscCheck(ncv==eps->ncv,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"FEAST changed value of ncv to %d",(int)ncv);
130: if (ijob == 10) {
131: /* set new quadrature point */
132: PetscCall(STSetShift(eps->st,Ze.real));
133: } else if (ijob == 20) {
134: /* use same quadrature point and factorization for transpose solve */
135: } else if (ijob == 11 || ijob == 21) {
136: /* linear solve (A-sigma*B)\work2, overwrite work2 */
137: for (k=0;k<ncv;k++) {
138: PetscCall(VecGetArray(z,&pz));
139: #if defined(PETSC_USE_COMPLEX)
140: for (i=0;i<eps->nloc;i++) pz[i] = PetscCMPLX(ctx->work2[eps->nloc*k+i].real,ctx->work2[eps->nloc*k+i].imag);
141: #else
142: for (i=0;i<eps->nloc;i++) pz[i] = ctx->work2[eps->nloc*k+i].real;
143: #endif
144: PetscCall(VecRestoreArray(z,&pz));
145: if (ijob == 11) PetscCall(STMatSolve(eps->st,z,w));
146: else PetscCall(STMatSolveHermitianTranspose(eps->st,z,w));
147: PetscCall(VecGetArray(w,&pz));
148: #if defined(PETSC_USE_COMPLEX)
149: for (i=0;i<eps->nloc;i++) {
150: ctx->work2[eps->nloc*k+i].real = PetscRealPart(pz[i]);
151: ctx->work2[eps->nloc*k+i].imag = PetscImaginaryPart(pz[i]);
152: }
153: #else
154: for (i=0;i<eps->nloc;i++) ctx->work2[eps->nloc*k+i].real = pz[i];
155: #endif
156: PetscCall(VecRestoreArray(w,&pz));
157: }
158: } else if (ijob == 30 || ijob == 40) {
159: /* multiplication A*V or B*V, result in work1 */
160: for (k=fpm[23]-1;k<fpm[23]+fpm[24]-1;k++) {
161: PetscCall(VecPlaceArray(x,&X[k*eps->nloc]));
162: PetscCall(VecPlaceArray(y,&ctx->work1[k*eps->nloc]));
163: if (ijob == 30) PetscCall(MatMult(A,x,y));
164: else if (nmat>1) PetscCall(MatMult(B,x,y));
165: else PetscCall(VecCopy(x,y));
166: PetscCall(VecResetArray(x));
167: PetscCall(VecResetArray(y));
168: }
169: } else PetscCheck(ijob==0 || ijob==-2,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Internal error in FEAST reverse communication interface (ijob=%d)",(int)ijob);
171: } while (ijob);
173: eps->reason = EPS_CONVERGED_TOL;
174: eps->its = loop;
175: eps->nconv = nconv;
176: if (info) {
177: switch (info) {
178: case 1: /* No eigenvalue has been found in the proposed search interval */
179: eps->nconv = 0;
180: break;
181: case 2: /* FEAST did not converge "yet" */
182: eps->reason = EPS_DIVERGED_ITS;
183: break;
184: default:
185: SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error reported by FEAST (%d)",(int)info);
186: }
187: }
189: for (i=0;i<eps->nconv;i++) eps->eigr[i] = evals[i];
190: if (ld!=n) {
191: for (i=0;i<eps->nconv;i++) PetscCall(PetscArraycpy(pV+i*ld,X+i*n,n));
192: PetscCall(PetscFree(X));
193: }
194: PetscCall(BVRestoreArray(eps->V,&pV));
195: PetscCall(VecDestroy(&x));
196: PetscCall(VecDestroy(&y));
197: PetscCall(PetscFree(evals));
198: PetscFunctionReturn(PETSC_SUCCESS);
199: }
201: static PetscErrorCode EPSReset_FEAST(EPS eps)
202: {
203: EPS_FEAST *ctx = (EPS_FEAST*)eps->data;
205: PetscFunctionBegin;
206: PetscCall(PetscFree4(ctx->work1,ctx->work2,ctx->Aq,ctx->Bq));
207: PetscFunctionReturn(PETSC_SUCCESS);
208: }
210: static PetscErrorCode EPSDestroy_FEAST(EPS eps)
211: {
212: PetscFunctionBegin;
213: PetscCall(PetscFree(eps->data));
214: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",NULL));
215: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",NULL));
216: PetscFunctionReturn(PETSC_SUCCESS);
217: }
219: static PetscErrorCode EPSSetFromOptions_FEAST(EPS eps,PetscOptionItems *PetscOptionsObject)
220: {
221: EPS_FEAST *ctx = (EPS_FEAST*)eps->data;
222: PetscInt n;
223: PetscBool flg;
225: PetscFunctionBegin;
226: PetscOptionsHeadBegin(PetscOptionsObject,"EPS FEAST Options");
228: n = ctx->npoints;
229: PetscCall(PetscOptionsInt("-eps_feast_num_points","Number of contour integration points","EPSFEASTSetNumPoints",n,&n,&flg));
230: if (flg) PetscCall(EPSFEASTSetNumPoints(eps,n));
232: PetscOptionsHeadEnd();
233: PetscFunctionReturn(PETSC_SUCCESS);
234: }
236: static PetscErrorCode EPSView_FEAST(EPS eps,PetscViewer viewer)
237: {
238: EPS_FEAST *ctx = (EPS_FEAST*)eps->data;
239: PetscBool isascii;
241: PetscFunctionBegin;
242: PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii));
243: if (isascii) PetscCall(PetscViewerASCIIPrintf(viewer," number of contour integration points=%" PetscInt_FMT "\n",ctx->npoints));
244: PetscFunctionReturn(PETSC_SUCCESS);
245: }
247: static PetscErrorCode EPSSetDefaultST_FEAST(EPS eps)
248: {
249: PetscFunctionBegin;
250: if (!((PetscObject)eps->st)->type_name) PetscCall(STSetType(eps->st,STSINVERT));
251: PetscFunctionReturn(PETSC_SUCCESS);
252: }
254: static PetscErrorCode EPSFEASTSetNumPoints_FEAST(EPS eps,PetscInt npoints)
255: {
256: EPS_FEAST *ctx = (EPS_FEAST*)eps->data;
258: PetscFunctionBegin;
259: if (npoints == PETSC_DEFAULT) ctx->npoints = 8;
260: else ctx->npoints = npoints;
261: PetscFunctionReturn(PETSC_SUCCESS);
262: }
264: /*@
265: EPSFEASTSetNumPoints - Sets the number of contour integration points for
266: the FEAST package.
268: Logically Collective
270: Input Parameters:
271: + eps - the eigenproblem solver context
272: - npoints - number of contour integration points
274: Options Database Key:
275: . -eps_feast_num_points - Sets the number of points
277: Level: advanced
279: .seealso: EPSFEASTGetNumPoints()
280: @*/
281: PetscErrorCode EPSFEASTSetNumPoints(EPS eps,PetscInt npoints)
282: {
283: PetscFunctionBegin;
286: PetscTryMethod(eps,"EPSFEASTSetNumPoints_C",(EPS,PetscInt),(eps,npoints));
287: PetscFunctionReturn(PETSC_SUCCESS);
288: }
290: static PetscErrorCode EPSFEASTGetNumPoints_FEAST(EPS eps,PetscInt *npoints)
291: {
292: EPS_FEAST *ctx = (EPS_FEAST*)eps->data;
294: PetscFunctionBegin;
295: *npoints = ctx->npoints;
296: PetscFunctionReturn(PETSC_SUCCESS);
297: }
299: /*@
300: EPSFEASTGetNumPoints - Gets the number of contour integration points for
301: the FEAST package.
303: Not Collective
305: Input Parameter:
306: . eps - the eigenproblem solver context
308: Output Parameter:
309: . npoints - number of contour integration points
311: Level: advanced
313: .seealso: EPSFEASTSetNumPoints()
314: @*/
315: PetscErrorCode EPSFEASTGetNumPoints(EPS eps,PetscInt *npoints)
316: {
317: PetscFunctionBegin;
319: PetscAssertPointer(npoints,2);
320: PetscUseMethod(eps,"EPSFEASTGetNumPoints_C",(EPS,PetscInt*),(eps,npoints));
321: PetscFunctionReturn(PETSC_SUCCESS);
322: }
324: SLEPC_EXTERN PetscErrorCode EPSCreate_FEAST(EPS eps)
325: {
326: EPS_FEAST *ctx;
328: PetscFunctionBegin;
329: PetscCall(PetscNew(&ctx));
330: eps->data = (void*)ctx;
332: eps->categ = EPS_CATEGORY_CONTOUR;
334: eps->ops->solve = EPSSolve_FEAST;
335: eps->ops->setup = EPSSetUp_FEAST;
336: eps->ops->setupsort = EPSSetUpSort_Basic;
337: eps->ops->setfromoptions = EPSSetFromOptions_FEAST;
338: eps->ops->destroy = EPSDestroy_FEAST;
339: eps->ops->reset = EPSReset_FEAST;
340: eps->ops->view = EPSView_FEAST;
341: eps->ops->setdefaultst = EPSSetDefaultST_FEAST;
343: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTSetNumPoints_C",EPSFEASTSetNumPoints_FEAST));
344: PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSFEASTGetNumPoints_C",EPSFEASTGetNumPoints_FEAST));
345: PetscFunctionReturn(PETSC_SUCCESS);
346: }