Date: 2021-09-20T09:43:53+00:00

Actual source code: blzpack.c
slepc-3.15.2 2021-09-20
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      1: /*
      2:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      3:    SLEPc - Scalable Library for Eigenvalue Problem Computations
      4:    Copyright (c) 2002-2021, 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 BLZPACK package
     12: */

     14: #include <slepc/private/epsimpl.h>
     15: #include "blzpack.h"

     17: const char* blzpack_error[33] = {
     18:   "",
     19:   "illegal data, LFLAG ",
     20:   "illegal data, dimension of (U), (V), (X) ",
     21:   "illegal data, leading dimension of (U), (V), (X) ",
     22:   "illegal data, leading dimension of (EIG) ",
     23:   "illegal data, number of required eigenpairs ",
     24:   "illegal data, Lanczos algorithm block size ",
     25:   "illegal data, maximum number of steps ",
     26:   "illegal data, number of starting vectors ",
     27:   "illegal data, number of eigenpairs provided ",
     28:   "illegal data, problem type flag ",
     29:   "illegal data, spectrum slicing flag ",
     30:   "illegal data, eigenvectors purification flag ",
     31:   "illegal data, level of output ",
     32:   "illegal data, output file unit ",
     33:   "illegal data, LCOMM (MPI or PVM) ",
     34:   "illegal data, dimension of ISTOR ",
     35:   "illegal data, convergence threshold ",
     36:   "illegal data, dimension of RSTOR ",
     37:   "illegal data on at least one PE ",
     38:   "ISTOR(3:14) must be equal on all PEs ",
     39:   "RSTOR(1:3) must be equal on all PEs ",
     40:   "not enough space in ISTOR to start eigensolution ",
     41:   "not enough space in RSTOR to start eigensolution ",
     42:   "illegal data, number of negative eigenvalues ",
     43:   "illegal data, entries of V ",
     44:   "illegal data, entries of X ",
     45:   "failure in computational subinterval ",
     46:   "file I/O error, blzpack.__.BQ ",
     47:   "file I/O error, blzpack.__.BX ",
     48:   "file I/O error, blzpack.__.Q ",
     49:   "file I/O error, blzpack.__.X ",
     50:   "parallel interface error "
     51: };

     53: PetscErrorCode EPSSetUp_BLZPACK(EPS eps)
     54: {
     56:   PetscInt       listor,lrstor,ncuv,k1,k2,k3,k4;
     57:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
     58:   PetscBool      issinv;

     61:   EPSCheckHermitianDefinite(eps);
     62:   if (eps->ncv!=PETSC_DEFAULT) {
     63:     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)");
     64:   } else eps->ncv = PetscMin(eps->nev+10,eps->nev*2);
     65:   if (eps->mpd!=PETSC_DEFAULT) { PetscInfo(eps,"Warning: parameter mpd ignored\n"); }
     66:   if (eps->max_it==PETSC_DEFAULT) eps->max_it = PetscMax(1000,eps->n);

     68:   PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&issinv);
     69:   if (!eps->which) {
     70:     if (issinv) eps->which = EPS_TARGET_REAL;
     71:     else eps->which = EPS_SMALLEST_REAL;
     72:   }
     73:   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),PETSC_ERR_SUP,"Wrong value of eps->which");
     74:   EPSCheckUnsupported(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_CONVERGENCE | EPS_FEATURE_STOPPING);
     75:   EPSCheckIgnored(eps,EPS_FEATURE_BALANCE | EPS_FEATURE_EXTRACTION);

     77:   if (!blz->block_size) blz->block_size = 3;
     78:   if (eps->which==EPS_ALL) {
     79:     if (eps->inta==eps->intb) SETERRQ(PetscObjectComm((PetscObject)eps),1,"Must define a computational interval when using EPS_ALL");
     80:     blz->slice = 1;
     81:   }
     82:   if (blz->slice || eps->isgeneralized) {
     83:     if (!issinv) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Shift-and-invert ST is needed for generalized problems or spectrum slicing");
     84:   }
     85:   if (blz->slice) {
     86:     if (eps->intb >= PETSC_MAX_REAL) { /* right-open interval */
     87:       if (eps->inta <= PETSC_MIN_REAL) SETERRQ(PetscObjectComm((PetscObject)eps),1,"The defined computational interval should have at least one of their sides bounded");
     88:       STSetDefaultShift(eps->st,eps->inta);
     89:     } else {
     90:       STSetDefaultShift(eps->st,eps->intb);
     91:     }
     92:   }

     94:   k1 = PetscMin(eps->n,180);
     95:   k2 = blz->block_size;
     96:   k4 = PetscMin(eps->ncv,eps->n);
     97:   k3 = 484+k1*(13+k1*2+k2+PetscMax(18,k2+2))+k2*k2*3+k4*2;

     99:   listor = 123+k1*12;
    100:   PetscFree(blz->istor);
    101:   PetscMalloc1((17+listor),&blz->istor);
    102:   PetscLogObjectMemory((PetscObject)eps,(17+listor)*sizeof(PetscBLASInt));
    103:   PetscBLASIntCast(listor,&blz->istor[14]);

    105:   if (blz->slice) lrstor = eps->nloc*(k2*4+k1*2+k4)+k3;
    106:   else lrstor = eps->nloc*(k2*4+k1)+k3;
    107: lrstor*=10;
    108:   PetscFree(blz->rstor);
    109:   PetscMalloc1((4+lrstor),&blz->rstor);
    110:   PetscLogObjectMemory((PetscObject)eps,(4+lrstor)*sizeof(PetscReal));
    111:   blz->rstor[3] = lrstor;

    113:   ncuv = PetscMax(3,blz->block_size);
    114:   PetscFree(blz->u);
    115:   PetscMalloc1(ncuv*eps->nloc,&blz->u);
    116:   PetscLogObjectMemory((PetscObject)eps,ncuv*eps->nloc*sizeof(PetscScalar));
    117:   PetscFree(blz->v);
    118:   PetscMalloc1(ncuv*eps->nloc,&blz->v);
    119:   PetscLogObjectMemory((PetscObject)eps,ncuv*eps->nloc*sizeof(PetscScalar));

    121:   PetscFree(blz->eig);
    122:   PetscMalloc1(2*eps->ncv,&blz->eig);
    123:   PetscLogObjectMemory((PetscObject)eps,2*eps->ncv*sizeof(PetscReal));

    125:   EPSAllocateSolution(eps,0);
    126:   EPS_SetInnerProduct(eps);
    127:   return(0);
    128: }

    130: PetscErrorCode EPSSolve_BLZPACK(EPS eps)
    131: {
    133:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
    134:   PetscInt       nn;
    135:   PetscBLASInt   i,nneig,lflag,nvopu;
    136:   Vec            x,y;
    137:   PetscScalar    sigma,*pV;
    138:   Mat            A,M;
    139:   KSP            ksp;
    140:   PC             pc;
    141:   MPI_Fint       fcomm;

    144:   STGetMatrix(eps->st,0,&A);
    145:   MatCreateVecsEmpty(A,&x,&y);
    146:   EPSGetStartVector(eps,0,NULL);
    147:   BVSetActiveColumns(eps->V,0,0);  /* just for deflation space */
    148:   BVGetArray(eps->V,&pV);

    150:   if (eps->isgeneralized && !blz->slice) {
    151:     STGetShift(eps->st,&sigma); /* shift of origin */
    152:     blz->rstor[0]  = sigma;        /* lower limit of eigenvalue interval */
    153:     blz->rstor[1]  = sigma;        /* upper limit of eigenvalue interval */
    154:   } else {
    155:     sigma = 0.0;
    156:     blz->rstor[0]  = eps->inta;    /* lower limit of eigenvalue interval */
    157:     blz->rstor[1]  = eps->intb;    /* upper limit of eigenvalue interval */
    158:   }
    159:   nneig = 0;                       /* no. of eigs less than sigma */

    161:   PetscBLASIntCast(eps->nloc,&blz->istor[0]); /* no. of rows of U, V, X */
    162:   PetscBLASIntCast(eps->nloc,&blz->istor[1]); /* leading dim of U, V, X */
    163:   PetscBLASIntCast(eps->nev,&blz->istor[2]);  /* required eigenpairs */
    164:   PetscBLASIntCast(eps->ncv,&blz->istor[3]);  /* working eigenpairs */
    165:   blz->istor[4]  = blz->block_size;    /* number of vectors in a block */
    166:   blz->istor[5]  = blz->nsteps;        /* maximun number of steps per run */
    167:   blz->istor[6]  = 1;                  /* number of starting vectors as input */
    168:   blz->istor[7]  = 0;                  /* number of eigenpairs given as input */
    169:   blz->istor[8]  = (blz->slice || eps->isgeneralized) ? 1 : 0;   /* problem type */
    170:   blz->istor[9]  = blz->slice;         /* spectrum slicing */
    171:   blz->istor[10] = eps->isgeneralized ? 1 : 0;   /* solutions refinement (purify) */
    172:   blz->istor[11] = 0;                  /* level of printing */
    173:   blz->istor[12] = 6;                  /* file unit for output */
    174:   fcomm = MPI_Comm_c2f(PetscObjectComm((PetscObject)eps));
    175:   blz->istor[13] = fcomm;

    177:   blz->rstor[2]  = eps->tol;           /* threshold for convergence */

    179:   lflag = 0;           /* reverse communication interface flag */

    181:   do {
    182:     BLZpack_(blz->istor,blz->rstor,&sigma,&nneig,blz->u,blz->v,&lflag,&nvopu,blz->eig,pV);

    184:     switch (lflag) {
    185:     case 1:
    186:       /* compute v = OP u */
    187:       for (i=0;i<nvopu;i++) {
    188:         VecPlaceArray(x,blz->u+i*eps->nloc);
    189:         VecPlaceArray(y,blz->v+i*eps->nloc);
    190:         if (blz->slice || eps->isgeneralized) {
    191:           STMatSolve(eps->st,x,y);
    192:         } else {
    193:           STApply(eps->st,x,y);
    194:         }
    195:         BVOrthogonalizeVec(eps->V,y,NULL,NULL,NULL);
    196:         VecResetArray(x);
    197:         VecResetArray(y);
    198:       }
    199:       /* monitor */
    200:       eps->nconv  = BLZistorr_(blz->istor,"NTEIG",5);
    201:       EPSMonitor(eps,eps->its,eps->nconv,blz->rstor+BLZistorr_(blz->istor,"IRITZ",5),eps->eigi,blz->rstor+BLZistorr_(blz->istor,"IRITZ",5)+BLZistorr_(blz->istor,"JT",2),BLZistorr_(blz->istor,"NRITZ",5));
    202:       eps->its = eps->its + 1;
    203:       if (eps->its >= eps->max_it || eps->nconv >= eps->nev) lflag = 5;
    204:       break;
    205:     case 2:
    206:       /* compute v = B u */
    207:       for (i=0;i<nvopu;i++) {
    208:         VecPlaceArray(x,blz->u+i*eps->nloc);
    209:         VecPlaceArray(y,blz->v+i*eps->nloc);
    210:         BVApplyMatrix(eps->V,x,y);
    211:         VecResetArray(x);
    212:         VecResetArray(y);
    213:       }
    214:       break;
    215:     case 3:
    216:       /* update shift */
    217:       PetscInfo1(eps,"Factorization update (sigma=%g)\n",(double)sigma);
    218:       STSetShift(eps->st,sigma);
    219:       STGetKSP(eps->st,&ksp);
    220:       KSPGetPC(ksp,&pc);
    221:       PCFactorGetMatrix(pc,&M);
    222:       MatGetInertia(M,&nn,NULL,NULL);
    223:       PetscBLASIntCast(nn,&nneig);
    224:       break;
    225:     case 4:
    226:       /* copy the initial vector */
    227:       VecPlaceArray(x,blz->v);
    228:       BVCopyVec(eps->V,0,x);
    229:       VecResetArray(x);
    230:       break;
    231:     }

    233:   } while (lflag > 0);

    235:   BVRestoreArray(eps->V,&pV);

    237:   eps->nconv  = BLZistorr_(blz->istor,"NTEIG",5);
    238:   eps->reason = EPS_CONVERGED_TOL;
    239:   if (blz->slice) eps->nev = eps->nconv;
    240:   for (i=0;i<eps->nconv;i++) eps->eigr[i]=blz->eig[i];

    242:   if (lflag!=0) {
    243:     char msg[2048] = "";
    244:     for (i = 0; i < 33; i++) {
    245:       if (blz->istor[15] & (1 << i)) { PetscStrlcat(msg,blzpack_error[i],sizeof(msg)); }
    246:     }
    247:     SETERRQ2(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error in BLZPACK (code=%d): '%s'",blz->istor[15],msg);
    248:   }
    249:   VecDestroy(&x);
    250:   VecDestroy(&y);
    251:   return(0);
    252: }

    254: PetscErrorCode EPSBackTransform_BLZPACK(EPS eps)
    255: {
    257:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    260:   if (!blz->slice && !eps->isgeneralized) {
    261:     EPSBackTransform_Default(eps);
    262:   }
    263:   return(0);
    264: }

    266: PetscErrorCode EPSReset_BLZPACK(EPS eps)
    267: {
    269:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    272:   PetscFree(blz->istor);
    273:   PetscFree(blz->rstor);
    274:   PetscFree(blz->u);
    275:   PetscFree(blz->v);
    276:   PetscFree(blz->eig);
    277:   return(0);
    278: }

    280: PetscErrorCode EPSDestroy_BLZPACK(EPS eps)
    281: {

    285:   PetscFree(eps->data);
    286:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetBlockSize_C",NULL);
    287:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackGetBlockSize_C",NULL);
    288:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetNSteps_C",NULL);
    289:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackGetNSteps_C",NULL);
    290:   return(0);
    291: }

    293: PetscErrorCode EPSView_BLZPACK(EPS eps,PetscViewer viewer)
    294: {
    296:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
    297:   PetscBool      isascii;

    300:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
    301:   if (isascii) {
    302:     PetscViewerASCIIPrintf(viewer,"  block size=%d\n",blz->block_size);
    303:     PetscViewerASCIIPrintf(viewer,"  maximum number of steps per run=%d\n",blz->nsteps);
    304:     if (blz->slice) {
    305:       PetscViewerASCIIPrintf(viewer,"  computational interval [%f,%f]\n",eps->inta,eps->intb);
    306:     }
    307:   }
    308:   return(0);
    309: }

    311: PetscErrorCode EPSSetFromOptions_BLZPACK(PetscOptionItems *PetscOptionsObject,EPS eps)
    312: {
    314:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
    315:   PetscInt       bs,n;
    316:   PetscBool      flg;

    319:   PetscOptionsHead(PetscOptionsObject,"EPS BLZPACK Options");

    321:     bs = blz->block_size;
    322:     PetscOptionsInt("-eps_blzpack_blocksize","Block size","EPSBlzpackSetBlockSize",bs,&bs,&flg);
    323:     if (flg) { EPSBlzpackSetBlockSize(eps,bs); }

    325:     n = blz->nsteps;
    326:     PetscOptionsInt("-eps_blzpack_nsteps","Number of steps","EPSBlzpackSetNSteps",n,&n,&flg);
    327:     if (flg) { EPSBlzpackSetNSteps(eps,n); }

    329:   PetscOptionsTail();
    330:   return(0);
    331: }

    333: static PetscErrorCode EPSBlzpackSetBlockSize_BLZPACK(EPS eps,PetscInt bs)
    334: {
    336:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    339:   if (bs == PETSC_DEFAULT) blz->block_size = 3;
    340:   else if (bs <= 0) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Block size must be positive");
    341:   else {
    342:     PetscBLASIntCast(bs,&blz->block_size);
    343:   }
    344:   return(0);
    345: }

    347: /*@
    348:    EPSBlzpackSetBlockSize - Sets the block size for the BLZPACK package.

    350:    Collective on eps

    352:    Input Parameters:
    353: +  eps - the eigenproblem solver context
    354: -  bs - block size

    356:    Options Database Key:
    357: .  -eps_blzpack_blocksize - Sets the value of the block size

    359:    Level: advanced
    360: @*/
    361: PetscErrorCode EPSBlzpackSetBlockSize(EPS eps,PetscInt bs)
    362: {

    368:   PetscTryMethod(eps,"EPSBlzpackSetBlockSize_C",(EPS,PetscInt),(eps,bs));
    369:   return(0);
    370: }

    372: static PetscErrorCode EPSBlzpackGetBlockSize_BLZPACK(EPS eps,PetscInt *bs)
    373: {
    374:   EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;

    377:   *bs = blz->block_size;
    378:   return(0);
    379: }

    381: /*@
    382:    EPSBlzpackGetBlockSize - Gets the block size used in the BLZPACK solver.

    384:    Not Collective

    386:    Input Parameter:
    387: .  eps - the eigenproblem solver context

    389:    Output Parameter:
    390: .  bs - the block size

    392:    Level: advanced

    394: .seealso: EPSBlzpackSetBlockSize()
    395: @*/
    396: PetscErrorCode EPSBlzpackGetBlockSize(EPS eps,PetscInt *bs)
    397: {

    403:   PetscUseMethod(eps,"EPSBlzpackGetBlockSize_C",(EPS,PetscInt*),(eps,bs));
    404:   return(0);
    405: }

    407: static PetscErrorCode EPSBlzpackSetNSteps_BLZPACK(EPS eps,PetscInt nsteps)
    408: {
    410:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    413:   if (nsteps == PETSC_DEFAULT) blz->nsteps = 0;
    414:   else {
    415:     PetscBLASIntCast(nsteps,&blz->nsteps);
    416:   }
    417:   return(0);
    418: }

    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: }

    447: static PetscErrorCode EPSBlzpackGetNSteps_BLZPACK(EPS eps,PetscInt *nsteps)
    448: {
    449:   EPS_BLZPACK *blz = (EPS_BLZPACK*)eps->data;

    452:   *nsteps = blz->nsteps;
    453:   return(0);
    454: }

    456: /*@
    457:    EPSBlzpackGetNSteps - Gets the maximum number of steps per run in the BLZPACK solver.

    459:    Not Collective

    461:    Input Parameter:
    462: .  eps - the eigenproblem solver context

    464:    Output Parameter:
    465: .  nsteps - the maximum number of steps

    467:    Level: advanced

    469: .seealso: EPSBlzpackSetNSteps()
    470: @*/
    471: PetscErrorCode EPSBlzpackGetNSteps(EPS eps,PetscInt *nsteps)
    472: {

    478:   PetscUseMethod(eps,"EPSBlzpackGetNSteps_C",(EPS,PetscInt*),(eps,nsteps));
    479:   return(0);
    480: }

    482: SLEPC_EXTERN PetscErrorCode EPSCreate_BLZPACK(EPS eps)
    483: {
    485:   EPS_BLZPACK    *blzpack;

    488:   PetscNewLog(eps,&blzpack);
    489:   eps->data = (void*)blzpack;

    491:   eps->ops->solve          = EPSSolve_BLZPACK;
    492:   eps->ops->setup          = EPSSetUp_BLZPACK;
    493:   eps->ops->setupsort      = EPSSetUpSort_Basic;
    494:   eps->ops->setfromoptions = EPSSetFromOptions_BLZPACK;
    495:   eps->ops->destroy        = EPSDestroy_BLZPACK;
    496:   eps->ops->reset          = EPSReset_BLZPACK;
    497:   eps->ops->view           = EPSView_BLZPACK;
    498:   eps->ops->backtransform  = EPSBackTransform_BLZPACK;

    500:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetBlockSize_C",EPSBlzpackSetBlockSize_BLZPACK);
    501:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackGetBlockSize_C",EPSBlzpackGetBlockSize_BLZPACK);
    502:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetNSteps_C",EPSBlzpackSetNSteps_BLZPACK);
    503:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackGetNSteps_C",EPSBlzpackGetNSteps_BLZPACK);
    504:   return(0);
    505: }