Actual source code: bvcontour.c

      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:    BV developer functions needed in contour integral methods
     12: */

     14: #include <slepc/private/bvimpl.h>
     15: #include <slepcblaslapack.h>

     17: #define p_id(i) (i*subcomm->n + subcomm->color)

     19: /*@
     20:    BVScatter - Scatters the columns of a `BV` to another `BV` created in a
     21:    subcommunicator.

     23:    Collective

     25:    Input Parameters:
     26: +  Vin  - input basis vectors (defined on the whole communicator)
     27: .  scat - `VecScatter` object that contains the info for the communication
     28: -  xdup - an auxiliary vector

     30:    Output Parameter:
     31: .  Vout - output basis vectors (defined on the subcommunicator)

     33:    Notes:
     34:    Currently implemented as a loop for each active column, where each
     35:    column is scattered independently. The vector `xdup` is defined on the
     36:    contiguous parent communicator and should have enough space to store one
     37:    duplicate of the original vector per each subcommunicator.

     39:    Level: developer

     41: .seealso: [](sec:bv), `BVGetColumn()`
     42: @*/
     43: PetscErrorCode BVScatter(BV Vin,BV Vout,VecScatter scat,Vec xdup)
     44: {
     45:   PetscInt          i;
     46:   Vec               v,z;
     47:   const PetscScalar *array;

     49:   PetscFunctionBegin;
     54:   PetscCall(BVCreateVec(Vout,&z));
     55:   for (i=Vin->l;i<Vin->k;i++) {
     56:     PetscCall(BVGetColumn(Vin,i,&v));
     57:     PetscCall(VecScatterBegin(scat,v,xdup,INSERT_VALUES,SCATTER_FORWARD));
     58:     PetscCall(VecScatterEnd(scat,v,xdup,INSERT_VALUES,SCATTER_FORWARD));
     59:     PetscCall(BVRestoreColumn(Vin,i,&v));
     60:     PetscCall(VecGetArrayRead(xdup,&array));
     61:     PetscCall(VecPlaceArray(z,array));
     62:     PetscCall(BVInsertVec(Vout,i,z));
     63:     PetscCall(VecResetArray(z));
     64:     PetscCall(VecRestoreArrayRead(xdup,&array));
     65:   }
     66:   PetscCall(VecDestroy(&z));
     67:   PetscFunctionReturn(PETSC_SUCCESS);
     68: }

     70: /*@
     71:    BVSumQuadrature - Computes the sum of terms required in the quadrature
     72:    rule to approximate the contour integral.

     74:    Collective

     76:    Input Parameters:
     77: +  Y       - input basis vectors
     78: .  M       - number of moments
     79: .  L       - block size
     80: .  L_max   - maximum block size
     81: .  w       - quadrature weights
     82: .  zn      - normalized quadrature points
     83: .  scat    - (optional) `VecScatter` object to communicate between subcommunicators
     84: .  subcomm - subcommunicator layout
     85: .  npoints - number of points to process by the subcommunicator
     86: -  useconj - whether conjugate points can be used or not

     88:    Output Parameter:
     89: .  S       - output basis vectors

     91:    Notes:
     92:    This is a generalization of `BVMult()`. The resulting matrix `S` consists of `M`
     93:    panels of `L` columns, and the following formula is computed for each panel
     94:    $S_k = \sum_j w_j\zeta_j^kY_j$, where $Y_j$ is the $j$-th panel of $Y$ containing
     95:    the result of solving $T(z_j)^{-1}X$ for each integration point $j$. `L_max` is
     96:    the width of the panels in $Y$.

     98:    When using subcommunicators, `Y` is stored in the subcommunicators for a subset
     99:    of integration points. In that case, the computation is done in the `subcomm`
    100:    and then scattered to the whole communicator in `S` using the `VecScatter` `scat`.
    101:    The value `npoints` is the number of points to be processed in this `subcomm`
    102:    and the flag `useconj` indicates whether symmetric points can be reused.

    104:    Level: developer

    106: .seealso: [](sec:bv), `BVMult()`, `BVScatter()`, `BVDotQuadrature()`, `RGComputeQuadrature()`, `RGCanUseConjugates()`
    107: @*/
    108: PetscErrorCode BVSumQuadrature(BV S,BV Y,PetscInt M,PetscInt L,PetscInt L_max,PetscScalar w[],PetscScalar zn[],VecScatter scat,PetscSubcomm subcomm,PetscInt npoints,PetscBool useconj)
    109: {
    110:   PetscInt       i,j,k,nloc;
    111:   Vec            v,sj;
    112:   PetscScalar    *ppk,*pv,one=1.0;

    114:   PetscFunctionBegin;

    119:   PetscCall(BVGetSizes(Y,&nloc,NULL,NULL));
    120:   PetscCall(PetscMalloc1(npoints,&ppk));
    121:   for (i=0;i<npoints;i++) ppk[i] = 1.0;
    122:   PetscCall(BVCreateVec(Y,&v));
    123:   for (k=0;k<M;k++) {
    124:     for (j=0;j<L;j++) {
    125:       PetscCall(VecSet(v,0.0));
    126:       for (i=0;i<npoints;i++) {
    127:         PetscCall(BVSetActiveColumns(Y,i*L_max+j,i*L_max+j+1));
    128:         PetscCall(BVMultVec(Y,ppk[i]*w[p_id(i)],1.0,v,&one));
    129:       }
    130:       if (PetscUnlikely(useconj)) {
    131:         PetscCall(VecGetArray(v,&pv));
    132:         for (i=0;i<nloc;i++) pv[i] = 2.0*PetscRealPart(pv[i]);
    133:         PetscCall(VecRestoreArray(v,&pv));
    134:       }
    135:       PetscCall(BVGetColumn(S,k*L+j,&sj));
    136:       if (PetscUnlikely(scat)) {
    137:         PetscCall(VecScatterBegin(scat,v,sj,ADD_VALUES,SCATTER_REVERSE));
    138:         PetscCall(VecScatterEnd(scat,v,sj,ADD_VALUES,SCATTER_REVERSE));
    139:       } else PetscCall(VecCopy(v,sj));
    140:       PetscCall(BVRestoreColumn(S,k*L+j,&sj));
    141:     }
    142:     for (i=0;i<npoints;i++) ppk[i] *= zn[p_id(i)];
    143:   }
    144:   PetscCall(PetscFree(ppk));
    145:   PetscCall(VecDestroy(&v));
    146:   PetscFunctionReturn(PETSC_SUCCESS);
    147: }

    149: /*@
    150:    BVDotQuadrature - Computes the projection terms required in the quadrature
    151:    rule to approximate the contour integral.

    153:    Collective

    155:    Input Parameters:
    156: +  Y       - first basis vectors
    157: .  V       - second basis vectors
    158: .  M       - number of moments
    159: .  L       - block size
    160: .  L_max   - maximum block size
    161: .  w       - quadrature weights
    162: .  zn      - normalized quadrature points
    163: .  subcomm - subcommunicator layout
    164: .  npoints - number of points to process by the subcommunicator
    165: -  useconj - whether conjugate points can be used or not

    167:    Output Parameter:
    168: .  Mu      - computed result

    170:    Notes:
    171:    This is a generalization of `BVDot()`. The resulting matrix `Mu` consists of `M`
    172:    blocks of size `L*L` (placed horizontally), each of them computed as
    173:    $Mu_k = \sum_j w_j\zeta_j^k V^*Y_j$, where $Y_j$ is the $j$-th panel of $Y$ containing
    174:    the result of solving $T(z_j)^{-1}X$ for each integration point $j$. `L_max` is
    175:    the width of the panels in $Y$.

    177:    When using subcommunicators, $Y$ is stored in the subcommunicators for a subset
    178:    of integration points. In that case, the computation is done in the `subcomm`
    179:    and then the final result is combined via reduction.
    180:    The value `npoints` is the number of points to be processed in this `subcomm`
    181:    and the flag `useconj` indicates whether symmetric points can be reused.

    183:    Level: developer

    185: .seealso: [](sec:bv), `BVDot()`, `BVScatter()`, `BVSumQuadrature()`, `RGComputeQuadrature()`, `RGCanUseConjugates()`
    186: @*/
    187: PetscErrorCode BVDotQuadrature(BV Y,BV V,PetscScalar Mu[],PetscInt M,PetscInt L,PetscInt L_max,PetscScalar w[],PetscScalar zn[],PetscSubcomm subcomm,PetscInt npoints,PetscBool useconj)
    188: {
    189:   PetscMPIInt       sub_size,count;
    190:   PetscInt          i,j,k,s;
    191:   PetscScalar       *temp,*temp2,*ppk,alp;
    192:   Mat               H;
    193:   const PetscScalar *pH;
    194:   MPI_Comm          child,parent;

    196:   PetscFunctionBegin;

    200:   PetscCall(PetscSubcommGetChild(subcomm,&child));
    201:   PetscCallMPI(MPI_Comm_size(child,&sub_size));
    202:   PetscCall(PetscMalloc3(npoints*L*(L+1),&temp,2*M*L*L,&temp2,npoints,&ppk));
    203:   PetscCall(MatCreateSeqDense(PETSC_COMM_SELF,L,L_max*npoints,NULL,&H));
    204:   PetscCall(PetscArrayzero(temp2,2*M*L*L));
    205:   PetscCall(BVSetActiveColumns(Y,0,L_max*npoints));
    206:   PetscCall(BVSetActiveColumns(V,0,L));
    207:   PetscCall(BVDot(Y,V,H));
    208:   PetscCall(MatDenseGetArrayRead(H,&pH));
    209:   for (i=0;i<npoints;i++) {
    210:     for (j=0;j<L;j++) {
    211:       for (k=0;k<L;k++) {
    212:         temp[k+j*L+i*L*L] = pH[k+j*L+i*L*L_max];
    213:       }
    214:     }
    215:   }
    216:   PetscCall(MatDenseRestoreArrayRead(H,&pH));
    217:   for (i=0;i<npoints;i++) ppk[i] = 1;
    218:   for (k=0;k<2*M;k++) {
    219:     for (j=0;j<L;j++) {
    220:       for (i=0;i<npoints;i++) {
    221:         alp = ppk[i]*w[p_id(i)];
    222:         for (s=0;s<L;s++) {
    223:           if (!useconj) temp2[s+(j+k*L)*L] += alp*temp[s+(j+i*L)*L];
    224:           else temp2[s+(j+k*L)*L] += 2.0*PetscRealPart(alp*temp[s+(j+i*L)*L]);
    225:         }
    226:       }
    227:     }
    228:     for (i=0;i<npoints;i++) ppk[i] *= zn[p_id(i)];
    229:   }
    230:   for (i=0;i<2*M*L*L;i++) temp2[i] /= sub_size;
    231:   PetscCall(PetscMPIIntCast(2*M*L*L,&count));
    232:   PetscCall(PetscSubcommGetParent(subcomm,&parent));
    233:   PetscCallMPI(MPIU_Allreduce(temp2,Mu,count,MPIU_SCALAR,MPIU_SUM,parent));
    234:   PetscCall(PetscFree3(temp,temp2,ppk));
    235:   PetscCall(MatDestroy(&H));
    236:   PetscFunctionReturn(PETSC_SUCCESS);
    237: }

    239: /*@
    240:    BVTraceQuadrature - Computes an estimate of the number of eigenvalues
    241:    inside a region via quantities computed in the quadrature rule of
    242:    contour integral methods.

    244:    Collective

    246:    Input Parameters:
    247: +  Y       - first basis vectors
    248: .  V       - second basis vectors
    249: .  L       - block size
    250: .  L_max   - maximum block size
    251: .  w       - quadrature weights
    252: .  scat    - (optional) `VecScatter` object to communicate between subcommunicators
    253: .  subcomm - subcommunicator layout
    254: .  npoints - number of points to process by the subcommunicator
    255: -  useconj - whether conjugate points can be used or not

    257:    Output Parameter:
    258: .  est_eig - estimated eigenvalue count

    260:    Notes:
    261:    This function returns an estimation of the number of eigenvalues in the
    262:    region, computed as $\operatorname{tr}(V^*S_0)$, where $S_0$ is the first panel of $S$
    263:    computed by `BVSumQuadrature()`.

    265:    When using subcommunicators, `Y` is stored in the subcommunicators for a subset
    266:    of integration points. In that case, the computation is done in the `subcomm`
    267:    and then scattered to the whole communicator in `V` using the `VecScatter` `scat`.
    268:    The value `npoints` is the number of points to be processed in this `subcomm`
    269:    and the flag `useconj` indicates whether symmetric points can be reused.

    271:    Level: developer

    273: .seealso: [](sec:bv), `BVScatter()`, `BVDotQuadrature()`, `BVSumQuadrature()`, `RGComputeQuadrature()`, `RGCanUseConjugates()`
    274: @*/
    275: PetscErrorCode BVTraceQuadrature(BV Y,BV V,PetscInt L,PetscInt L_max,PetscScalar w[],VecScatter scat,PetscSubcomm subcomm,PetscInt npoints,PetscBool useconj,PetscReal *est_eig)
    276: {
    277:   PetscInt       i,j;
    278:   Vec            y,yall,vj;
    279:   PetscScalar    dot,sum=0.0,one=1.0;

    281:   PetscFunctionBegin;

    286:   PetscCall(BVCreateVec(Y,&y));
    287:   PetscCall(BVCreateVec(V,&yall));
    288:   for (j=0;j<L;j++) {
    289:     PetscCall(VecSet(y,0.0));
    290:     for (i=0;i<npoints;i++) {
    291:       PetscCall(BVSetActiveColumns(Y,i*L_max+j,i*L_max+j+1));
    292:       PetscCall(BVMultVec(Y,w[p_id(i)],1.0,y,&one));
    293:     }
    294:     PetscCall(BVGetColumn(V,j,&vj));
    295:     if (scat) {
    296:       PetscCall(VecScatterBegin(scat,y,yall,ADD_VALUES,SCATTER_REVERSE));
    297:       PetscCall(VecScatterEnd(scat,y,yall,ADD_VALUES,SCATTER_REVERSE));
    298:       PetscCall(VecDot(vj,yall,&dot));
    299:     } else PetscCall(VecDot(vj,y,&dot));
    300:     PetscCall(BVRestoreColumn(V,j,&vj));
    301:     if (useconj) sum += 2.0*PetscRealPart(dot);
    302:     else sum += dot;
    303:   }
    304:   *est_eig = PetscAbsScalar(sum)/(PetscReal)L;
    305:   PetscCall(VecDestroy(&y));
    306:   PetscCall(VecDestroy(&yall));
    307:   PetscFunctionReturn(PETSC_SUCCESS);
    308: }

    310: static PetscErrorCode BVSVDAndRank_Refine(BV S,PetscReal delta,PetscScalar *pA,PetscReal *sigma,PetscInt *rank)
    311: {
    312:   PetscInt       i,j,k,ml=S->k;
    313:   PetscMPIInt    len;
    314:   PetscScalar    *work,*B,*tempB,*sarray,*Q1,*Q2,*temp2,alpha=1.0,beta=0.0;
    315:   PetscBLASInt   l,m,n,lda,ldu,ldvt,lwork,info,ldb,ldc,lds;
    316: #if defined(PETSC_USE_COMPLEX)
    317:   PetscReal      *rwork;
    318: #endif

    320:   PetscFunctionBegin;
    321:   PetscCall(PetscBLASIntCast(S->ld,&lds));
    322:   PetscCall(BVGetArray(S,&sarray));
    323:   PetscCall(PetscMalloc6(ml*ml,&temp2,S->n*ml,&Q1,S->n*ml,&Q2,ml*ml,&B,ml*ml,&tempB,5*ml,&work));
    324: #if defined(PETSC_USE_COMPLEX)
    325:   PetscCall(PetscMalloc1(5*ml,&rwork));
    326: #endif
    327:   PetscCall(PetscFPTrapPush(PETSC_FP_TRAP_OFF));

    329:   PetscCall(PetscArrayzero(B,ml*ml));
    330:   for (i=0;i<ml;i++) B[i*ml+i]=1;

    332:   for (k=0;k<2;k++) {
    333:     PetscCall(PetscBLASIntCast(S->n,&m));
    334:     PetscCall(PetscBLASIntCast(ml,&l));
    335:     n = l; lda = m; ldb = m; ldc = l;
    336:     if (!k) PetscCallBLAS("BLASgemm",BLASgemm_("C","N",&l,&n,&m,&alpha,sarray,&lds,sarray,&lds,&beta,pA,&ldc));
    337:     else PetscCallBLAS("BLASgemm",BLASgemm_("C","N",&l,&n,&m,&alpha,Q1,&lda,Q1,&ldb,&beta,pA,&ldc));
    338:     PetscCall(PetscArrayzero(temp2,ml*ml));
    339:     PetscCall(PetscMPIIntCast(ml*ml,&len));
    340:     PetscCallMPI(MPIU_Allreduce(pA,temp2,len,MPIU_SCALAR,MPIU_SUM,PetscObjectComm((PetscObject)S)));

    342:     PetscCall(PetscBLASIntCast(ml,&m));
    343:     n = m; lda = m; lwork = 5*m, ldu = 1; ldvt = 1;
    344: #if defined(PETSC_USE_COMPLEX)
    345:     PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("O","N",&m,&n,temp2,&lda,sigma,NULL,&ldu,NULL,&ldvt,work,&lwork,rwork,&info));
    346: #else
    347:     PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("O","N",&m,&n,temp2,&lda,sigma,NULL,&ldu,NULL,&ldvt,work,&lwork,&info));
    348: #endif
    349:     SlepcCheckLapackInfo("gesvd",info);

    351:     PetscCall(PetscBLASIntCast(S->n,&l));
    352:     PetscCall(PetscBLASIntCast(ml,&n));
    353:     m = n; lda = l; ldb = m; ldc = l;
    354:     if (!k) PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&l,&n,&m,&alpha,sarray,&lds,temp2,&ldb,&beta,Q1,&ldc));
    355:     else PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&l,&n,&m,&alpha,Q1,&lda,temp2,&ldb,&beta,Q2,&ldc));

    357:     PetscCall(PetscBLASIntCast(ml,&l));
    358:     m = l; n = l; lda = l; ldb = m; ldc = l;
    359:     PetscCallBLAS("BLASgemm",BLASgemm_("N","N",&l,&n,&m,&alpha,B,&lda,temp2,&ldb,&beta,tempB,&ldc));
    360:     for (i=0;i<ml;i++) {
    361:       sigma[i] = PetscSqrtReal(sigma[i]);
    362:       for (j=0;j<S->n;j++) {
    363:         if (k%2) Q2[j+i*S->n] /= sigma[i];
    364:         else Q1[j+i*S->n] /= sigma[i];
    365:       }
    366:       for (j=0;j<ml;j++) B[j+i*ml] = tempB[j+i*ml]*sigma[i];
    367:     }
    368:   }

    370:   PetscCall(PetscBLASIntCast(ml,&m));
    371:   n = m; lda = m; ldu=1; ldvt=1;
    372: #if defined(PETSC_USE_COMPLEX)
    373:   PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("N","O",&m,&n,B,&lda,sigma,NULL,&ldu,NULL,&ldvt,work,&lwork,rwork,&info));
    374: #else
    375:   PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("N","O",&m,&n,B,&lda,sigma,NULL,&ldu,NULL,&ldvt,work,&lwork,&info));
    376: #endif
    377:   SlepcCheckLapackInfo("gesvd",info);

    379:   PetscCall(PetscBLASIntCast(S->n,&l));
    380:   PetscCall(PetscBLASIntCast(ml,&n));
    381:   m = n; lda = l; ldb = m;
    382:   if (k%2) PetscCallBLAS("BLASgemm",BLASgemm_("N","T",&l,&n,&m,&alpha,Q1,&lda,B,&ldb,&beta,sarray,&lds));
    383:   else PetscCallBLAS("BLASgemm",BLASgemm_("N","T",&l,&n,&m,&alpha,Q2,&lda,B,&ldb,&beta,sarray,&lds));

    385:   PetscCall(PetscFPTrapPop());
    386:   PetscCall(BVRestoreArray(S,&sarray));

    388:   if (rank) {
    389:     (*rank) = 0;
    390:     for (i=0;i<ml;i++) {
    391:       if (sigma[i]/PetscMax(sigma[0],1.0)>delta) (*rank)++;
    392:     }
    393:   }
    394:   PetscCall(PetscFree6(temp2,Q1,Q2,B,tempB,work));
    395: #if defined(PETSC_USE_COMPLEX)
    396:   PetscCall(PetscFree(rwork));
    397: #endif
    398:   PetscFunctionReturn(PETSC_SUCCESS);
    399: }

    401: static PetscErrorCode BVSVDAndRank_QR(BV S,PetscReal delta,PetscScalar *pA,PetscReal *sigma,PetscInt *rankout)
    402: {
    403:   PetscInt       i,n,ml=S->k,rank;
    404:   PetscBLASInt   m,lda,lwork,info;
    405:   PetscScalar    *work;
    406:   PetscReal      *rwork;
    407:   Mat            A;
    408:   Vec            v;

    410:   PetscFunctionBegin;
    411:   /* Compute QR factorizaton of S */
    412:   PetscCall(BVGetSizes(S,NULL,&n,NULL));
    413:   n = PetscMin(n,ml);
    414:   PetscCall(BVSetActiveColumns(S,0,n));
    415:   PetscCall(PetscArrayzero(pA,ml*n));
    416:   PetscCall(MatCreateDense(PETSC_COMM_SELF,n,n,PETSC_DECIDE,PETSC_DECIDE,pA,&A));
    417:   PetscCall(BVOrthogonalize(S,A));
    418:   if (n<ml) {
    419:     /* the rest of the factorization */
    420:     for (i=n;i<ml;i++) {
    421:       PetscCall(BVGetColumn(S,i,&v));
    422:       PetscCall(BVOrthogonalizeVec(S,v,pA+i*n,NULL,NULL));
    423:       PetscCall(BVRestoreColumn(S,i,&v));
    424:     }
    425:   }
    426:   PetscCall(PetscBLASIntCast(n,&lda));
    427:   PetscCall(PetscBLASIntCast(ml,&m));
    428:   PetscCall(PetscMalloc2(5*ml,&work,5*ml,&rwork));
    429:   lwork = 5*m;
    430:   PetscCall(PetscFPTrapPush(PETSC_FP_TRAP_OFF));
    431: #if !defined(PETSC_USE_COMPLEX)
    432:   PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("O","N",&lda,&m,pA,&lda,sigma,NULL,&lda,NULL,&lda,work,&lwork,&info));
    433: #else
    434:   PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("O","N",&lda,&m,pA,&lda,sigma,NULL,&lda,NULL,&lda,work,&lwork,rwork,&info));
    435: #endif
    436:   SlepcCheckLapackInfo("gesvd",info);
    437:   PetscCall(PetscFPTrapPop());
    438:   rank = 0;
    439:   for (i=0;i<n;i++) {
    440:     if (sigma[i]/PetscMax(sigma[0],1)>delta) rank++;
    441:   }
    442:   if (rankout) *rankout = rank;
    443:   /* n first columns of A have the left singular vectors */
    444:   PetscCall(BVMultInPlace(S,A,0,rank));
    445:   PetscCall(PetscFree2(work,rwork));
    446:   PetscCall(MatDestroy(&A));
    447:   PetscFunctionReturn(PETSC_SUCCESS);
    448: }

    450: static PetscErrorCode BVSVDAndRank_QR_CAA(BV S,PetscInt M,PetscInt L,PetscReal delta,PetscScalar *pA,PetscReal *sigma,PetscInt *rankout)
    451: {
    452:   PetscInt       i,j,n,ml=S->k,rank;
    453:   PetscBLASInt   m,k_,lda,lwork,info;
    454:   PetscScalar    *work,*T,*U,*R,sone=1.0,zero=0.0;
    455:   PetscReal      *rwork;
    456:   Mat            A;

    458:   PetscFunctionBegin;
    459:   /* Compute QR factorizaton of S */
    460:   PetscCall(BVGetSizes(S,NULL,&n,NULL));
    461:   PetscCheck(n>=ml,PetscObjectComm((PetscObject)S),PETSC_ERR_SUP,"The QR_CAA method does not support problem size n < m*L");
    462:   PetscCall(BVSetActiveColumns(S,0,ml));
    463:   PetscCall(PetscArrayzero(pA,ml*ml));
    464:   PetscCall(MatCreateDense(PETSC_COMM_SELF,ml,ml,PETSC_DECIDE,PETSC_DECIDE,pA,&A));
    465:   PetscCall(BVOrthogonalize(S,A));
    466:   PetscCall(MatDestroy(&A));

    468:   /* SVD of first (M-1)*L diagonal block */
    469:   PetscCall(PetscBLASIntCast((M-1)*L,&m));
    470:   PetscCall(PetscMalloc5(m*m,&T,m*m,&R,m*m,&U,5*ml,&work,5*ml,&rwork));
    471:   for (j=0;j<m;j++) PetscCall(PetscArraycpy(R+j*m,pA+j*ml,m));
    472:   lwork = 5*m;
    473:   PetscCall(PetscFPTrapPush(PETSC_FP_TRAP_OFF));
    474: #if !defined(PETSC_USE_COMPLEX)
    475:   PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("S","O",&m,&m,R,&m,sigma,U,&m,NULL,&m,work,&lwork,&info));
    476: #else
    477:   PetscCallBLAS("LAPACKgesvd",LAPACKgesvd_("S","O",&m,&m,R,&m,sigma,U,&m,NULL,&m,work,&lwork,rwork,&info));
    478: #endif
    479:   SlepcCheckLapackInfo("gesvd",info);
    480:   PetscCall(PetscFPTrapPop());
    481:   rank = 0;
    482:   for (i=0;i<m;i++) {
    483:     if (sigma[i]/PetscMax(sigma[0],1)>delta) rank++;
    484:   }
    485:   if (rankout) *rankout = rank;
    486:   PetscCall(MatCreateDense(PETSC_COMM_SELF,m,m,PETSC_DECIDE,PETSC_DECIDE,U,&A));
    487:   PetscCall(BVSetActiveColumns(S,0,m));
    488:   PetscCall(BVMultInPlace(S,A,0,rank));
    489:   PetscCall(MatDestroy(&A));
    490:   /* Projected linear system */
    491:   /* m first columns of A have the right singular vectors */
    492:   PetscCall(PetscBLASIntCast(rank,&k_));
    493:   PetscCall(PetscBLASIntCast(ml,&lda));
    494:   PetscCallBLAS("BLASgemm",BLASgemm_("N","C",&m,&k_,&m,&sone,pA+L*lda,&lda,R,&m,&zero,T,&m));
    495:   PetscCall(PetscArrayzero(pA,ml*ml));
    496:   PetscCallBLAS("BLASgemm",BLASgemm_("C","N",&k_,&k_,&m,&sone,U,&m,T,&m,&zero,pA,&k_));
    497:   for (j=0;j<k_;j++) for (i=0;i<k_;i++) pA[j*k_+i] /= sigma[j];
    498:   PetscCall(PetscFree5(T,R,U,work,rwork));
    499:   PetscFunctionReturn(PETSC_SUCCESS);
    500: }

    502: /*@
    503:    BVSVDAndRank - Compute the SVD (left singular vectors only, and singular
    504:    values) and determine the numerical rank according to a tolerance.

    506:    Collective

    508:    Input Parameters:
    509: +  S     - the basis vectors object
    510: .  m     - the moment degree
    511: .  l     - the block size
    512: .  delta - the tolerance used to determine the rank
    513: -  meth  - the method to be used

    515:    Output Parameters:
    516: +  A     - workspace, on output contains relevant values in the CAA method
    517: .  sigma - computed singular values
    518: -  rank  - estimated rank (optional, pass `NULL` if not needed)

    520:    Notes:
    521:    This function computes the SVD $S=U\Sigma V^*$ and replaces $S$ with $U$.
    522:    The current implementation computes this via $S^*S$, and it may include
    523:    some kind of iterative refinement to improve accuracy in some cases.

    525:    The parameters `m` and `l` refer to the moment and block size of contour
    526:    integral methods. All columns up to `m*l` are modified, and the active
    527:    columns are set to `0..m*l`.

    529:    See `BVSVDMethod` for available methods.

    531:    The `A` workspace should be `m*l*m*l` in size.

    533:    Once the decomposition is computed, the numerical rank is estimated
    534:    by counting the number of singular values that are larger than the
    535:    tolerance `delta`, relative to the first singular value.

    537:    Level: developer

    539: .seealso: [](sec:bv), `BVSetActiveColumns()`
    540: @*/
    541: PetscErrorCode BVSVDAndRank(BV S,PetscInt m,PetscInt l,PetscReal delta,BVSVDMethod meth,PetscScalar A[],PetscReal sigma[],PetscInt *rank)
    542: {
    543:   PetscFunctionBegin;
    549:   PetscAssertPointer(A,6);
    550:   PetscAssertPointer(sigma,7);

    552:   PetscCall(PetscLogEventBegin(BV_SVDAndRank,S,0,0,0));
    553:   PetscCall(BVSetActiveColumns(S,0,m*l));
    554:   switch (meth) {
    555:     case BV_SVD_METHOD_REFINE:
    556:       PetscCall(BVSVDAndRank_Refine(S,delta,A,sigma,rank));
    557:       break;
    558:     case BV_SVD_METHOD_QR:
    559:       PetscCall(BVSVDAndRank_QR(S,delta,A,sigma,rank));
    560:       break;
    561:     case BV_SVD_METHOD_QR_CAA:
    562:       PetscCall(BVSVDAndRank_QR_CAA(S,m,l,delta,A,sigma,rank));
    563:       break;
    564:   }
    565:   PetscCall(PetscLogEventEnd(BV_SVDAndRank,S,0,0,0));
    566:   PetscFunctionReturn(PETSC_SUCCESS);
    567: }

    569: /*@
    570:    BVCISSResizeBases - Resize the bases involved in CISS solvers when the $L$ parameter grows.

    572:    Logically Collective

    574:    Input Parameters:
    575: +  S       - basis of $L\cdot M$ columns
    576: .  V       - basis of $L$ columns (may be associated to subcommunicators)
    577: .  Y       - basis of `npoints`$\cdot L$ columns
    578: .  Lold    - old value of $L$
    579: .  Lnew    - new value of $L$
    580: .  M       - the moment size
    581: -  npoints - number of integration points

    583:    Level: developer

    585: .seealso: [](sec:bv), `BVResize()`
    586: @*/
    587: PetscErrorCode BVCISSResizeBases(BV S,BV V,BV Y,PetscInt Lold,PetscInt Lnew,PetscInt M,PetscInt npoints)
    588: {
    589:   PetscInt       i,j;

    591:   PetscFunctionBegin;

    600:   PetscCall(BVResize(S,Lnew*M,PETSC_FALSE));
    601:   PetscCall(BVResize(V,Lnew,PETSC_TRUE));
    602:   PetscCall(BVResize(Y,Lnew*npoints,PETSC_TRUE));
    603:   /* columns of Y are interleaved */
    604:   for (i=npoints-1;i>=0;i--) {
    605:     for (j=Lold-1;j>=0;j--) PetscCall(BVCopyColumn(Y,i*Lold+j,i*Lnew+j));
    606:   }
    607:   PetscFunctionReturn(PETSC_SUCCESS);
    608: }