Actual source code: scalapack.c
slepc-3.22.2 2024-12-02
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 eigensolvers in ScaLAPACK.
12: */
14: #include <slepc/private/epsimpl.h>
15: #include <slepc/private/slepcscalapack.h>
17: typedef struct {
18: Mat As,Bs; /* converted matrices */
19: } EPS_ScaLAPACK;
21: static PetscErrorCode EPSSetUp_ScaLAPACK(EPS eps)
22: {
23: EPS_ScaLAPACK *ctx = (EPS_ScaLAPACK*)eps->data;
24: Mat A,B;
25: PetscInt nmat;
26: PetscBool isshift;
27: PetscScalar shift;
29: PetscFunctionBegin;
30: EPSCheckHermitianDefinite(eps);
31: EPSCheckNotStructured(eps);
32: PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSHIFT,&isshift));
33: PetscCheck(isshift,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support spectral transformations");
34: eps->ncv = eps->n;
35: if (eps->mpd!=PETSC_DETERMINE) PetscCall(PetscInfo(eps,"Warning: parameter mpd ignored\n"));
36: if (eps->max_it==PETSC_DETERMINE) eps->max_it = 1;
37: if (!eps->which) PetscCall(EPSSetWhichEigenpairs_Default(eps));
38: PetscCheck(eps->which!=EPS_ALL || eps->inta==eps->intb,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support interval computation");
39: EPSCheckUnsupported(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_STOPPING);
40: EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION | EPS_FEATURE_CONVERGENCE);
41: PetscCall(EPSAllocateSolution(eps,0));
43: /* convert matrices */
44: PetscCall(MatDestroy(&ctx->As));
45: PetscCall(MatDestroy(&ctx->Bs));
46: PetscCall(STGetNumMatrices(eps->st,&nmat));
47: PetscCall(STGetMatrix(eps->st,0,&A));
48: PetscCall(MatConvert(A,MATSCALAPACK,MAT_INITIAL_MATRIX,&ctx->As));
49: if (nmat>1) {
50: PetscCall(STGetMatrix(eps->st,1,&B));
51: PetscCall(MatConvert(B,MATSCALAPACK,MAT_INITIAL_MATRIX,&ctx->Bs));
52: }
53: PetscCall(STGetShift(eps->st,&shift));
54: if (shift != 0.0) {
55: if (nmat>1) PetscCall(MatAXPY(ctx->As,-shift,ctx->Bs,SAME_NONZERO_PATTERN));
56: else PetscCall(MatShift(ctx->As,-shift));
57: }
58: PetscFunctionReturn(PETSC_SUCCESS);
59: }
61: static PetscErrorCode EPSSolve_ScaLAPACK(EPS eps)
62: {
63: EPS_ScaLAPACK *ctx = (EPS_ScaLAPACK*)eps->data;
64: Mat A = ctx->As,B = ctx->Bs,Q,V;
65: Mat_ScaLAPACK *a = (Mat_ScaLAPACK*)A->data,*b,*q;
66: PetscReal rdummy=0.0,abstol=0.0,*gap=NULL,orfac=-1.0,*w = eps->errest; /* used to store real eigenvalues */
67: PetscScalar *work,minlwork[3];
68: PetscBLASInt i,m,info,idummy=0,lwork=-1,liwork=-1,minliwork,*iwork,*ifail=NULL,*iclustr=NULL,one=1;
69: #if defined(PETSC_USE_COMPLEX)
70: PetscReal *rwork,minlrwork[3];
71: PetscBLASInt lrwork=-1;
72: #endif
74: PetscFunctionBegin;
75: PetscCall(MatDuplicate(A,MAT_DO_NOT_COPY_VALUES,&Q));
76: PetscCall(PetscFPTrapPush(PETSC_FP_TRAP_OFF));
77: q = (Mat_ScaLAPACK*)Q->data;
79: if (B) {
81: b = (Mat_ScaLAPACK*)B->data;
82: PetscCall(PetscMalloc3(a->grid->nprow*a->grid->npcol,&gap,a->N,&ifail,2*a->grid->nprow*a->grid->npcol,&iclustr));
83: #if !defined(PETSC_USE_COMPLEX)
84: /* allocate workspace */
85: PetscCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,minlwork,&lwork,&minliwork,&liwork,ifail,iclustr,gap,&info));
86: PetscCheckScaLapackInfo("sygvx",info);
87: PetscCall(PetscBLASIntCast((PetscInt)minlwork[0],&lwork));
88: liwork = minliwork;
89: /* call computational routine */
90: PetscCall(PetscMalloc2(lwork,&work,liwork,&iwork));
91: PetscCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,work,&lwork,iwork,&liwork,ifail,iclustr,gap,&info));
92: PetscCheckScaLapackInfo("sygvx",info);
93: PetscCall(PetscFree2(work,iwork));
94: #else
95: /* allocate workspace */
96: PetscCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,minlwork,&lwork,minlrwork,&lrwork,&minliwork,&liwork,ifail,iclustr,gap,&info));
97: PetscCheckScaLapackInfo("sygvx",info);
98: PetscCall(PetscBLASIntCast((PetscInt)PetscRealPart(minlwork[0]),&lwork));
99: PetscCall(PetscBLASIntCast((PetscInt)minlrwork[0],&lrwork));
100: lrwork += a->N*a->N;
101: liwork = minliwork;
102: /* call computational routine */
103: PetscCall(PetscMalloc3(lwork,&work,lrwork,&rwork,liwork,&iwork));
104: PetscCallBLAS("SCALAPACKsygvx",SCALAPACKsygvx_(&one,"V","A","L",&a->N,a->loc,&one,&one,a->desc,b->loc,&one,&one,b->desc,&rdummy,&rdummy,&idummy,&idummy,&abstol,&m,&idummy,w,&orfac,q->loc,&one,&one,q->desc,work,&lwork,rwork,&lrwork,iwork,&liwork,ifail,iclustr,gap,&info));
105: PetscCheckScaLapackInfo("sygvx",info);
106: PetscCall(PetscFree3(work,rwork,iwork));
107: #endif
108: PetscCall(PetscFree3(gap,ifail,iclustr));
110: } else {
112: #if !defined(PETSC_USE_COMPLEX)
113: /* allocate workspace */
114: PetscCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,minlwork,&lwork,&info));
115: PetscCheckScaLapackInfo("syev",info);
116: PetscCall(PetscBLASIntCast((PetscInt)minlwork[0],&lwork));
117: PetscCall(PetscMalloc1(lwork,&work));
118: /* call computational routine */
119: PetscCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,work,&lwork,&info));
120: PetscCheckScaLapackInfo("syev",info);
121: PetscCall(PetscFree(work));
122: #else
123: /* allocate workspace */
124: PetscCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,minlwork,&lwork,minlrwork,&lrwork,&info));
125: PetscCheckScaLapackInfo("syev",info);
126: PetscCall(PetscBLASIntCast((PetscInt)PetscRealPart(minlwork[0]),&lwork));
127: lrwork = 4*a->N; /* PetscCall(PetscBLASIntCast((PetscInt)minlrwork[0],&lrwork)); */
128: PetscCall(PetscMalloc2(lwork,&work,lrwork,&rwork));
129: /* call computational routine */
130: PetscCallBLAS("SCALAPACKsyev",SCALAPACKsyev_("V","L",&a->N,a->loc,&one,&one,a->desc,w,q->loc,&one,&one,q->desc,work,&lwork,rwork,&lrwork,&info));
131: PetscCheckScaLapackInfo("syev",info);
132: PetscCall(PetscFree2(work,rwork));
133: #endif
135: }
136: PetscCall(PetscFPTrapPop());
138: for (i=0;i<eps->ncv;i++) {
139: eps->eigr[i] = eps->errest[i];
140: eps->errest[i] = PETSC_MACHINE_EPSILON;
141: }
143: PetscCall(BVGetMat(eps->V,&V));
144: PetscCall(MatConvert(Q,MATDENSE,MAT_REUSE_MATRIX,&V));
145: PetscCall(BVRestoreMat(eps->V,&V));
146: PetscCall(MatDestroy(&Q));
148: eps->nconv = eps->ncv;
149: eps->its = 1;
150: eps->reason = EPS_CONVERGED_TOL;
151: PetscFunctionReturn(PETSC_SUCCESS);
152: }
154: static PetscErrorCode EPSDestroy_ScaLAPACK(EPS eps)
155: {
156: PetscFunctionBegin;
157: PetscCall(PetscFree(eps->data));
158: PetscFunctionReturn(PETSC_SUCCESS);
159: }
161: static PetscErrorCode EPSReset_ScaLAPACK(EPS eps)
162: {
163: EPS_ScaLAPACK *ctx = (EPS_ScaLAPACK*)eps->data;
165: PetscFunctionBegin;
166: PetscCall(MatDestroy(&ctx->As));
167: PetscCall(MatDestroy(&ctx->Bs));
168: PetscFunctionReturn(PETSC_SUCCESS);
169: }
171: SLEPC_EXTERN PetscErrorCode EPSCreate_ScaLAPACK(EPS eps)
172: {
173: EPS_ScaLAPACK *ctx;
175: PetscFunctionBegin;
176: PetscCall(PetscNew(&ctx));
177: eps->data = (void*)ctx;
179: eps->categ = EPS_CATEGORY_OTHER;
181: eps->ops->solve = EPSSolve_ScaLAPACK;
182: eps->ops->setup = EPSSetUp_ScaLAPACK;
183: eps->ops->setupsort = EPSSetUpSort_Basic;
184: eps->ops->destroy = EPSDestroy_ScaLAPACK;
185: eps->ops->reset = EPSReset_ScaLAPACK;
186: eps->ops->backtransform = EPSBackTransform_Default;
187: eps->ops->setdefaultst = EPSSetDefaultST_NoFactor;
188: PetscFunctionReturn(PETSC_SUCCESS);
189: }