Date: 2017-05-17T08:26:11+00:00

Actual source code: blzpack.c
slepc-3.7.4 2017-05-17
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      1: /*
      2:    This file implements a wrapper to the BLZPACK package

      4:    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
      5:    SLEPc - Scalable Library for Eigenvalue Problem Computations
      6:    Copyright (c) 2002-2016, Universitat Politecnica de Valencia, Spain

      8:    This file is part of SLEPc.

     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 <slepc/private/epsimpl.h>    /*I "slepceps.h" I*/
     25: #include <../src/eps/impls/external/blzpack/blzpackp.h>

     27: PetscErrorCode EPSSolve_BLZPACK(EPS);

     29: const char* blzpack_error[33] = {
     30:   "",
     31:   "illegal data, LFLAG ",
     32:   "illegal data, dimension of (U), (V), (X) ",
     33:   "illegal data, leading dimension of (U), (V), (X) ",
     34:   "illegal data, leading dimension of (EIG) ",
     35:   "illegal data, number of required eigenpairs ",
     36:   "illegal data, Lanczos algorithm block size ",
     37:   "illegal data, maximum number of steps ",
     38:   "illegal data, number of starting vectors ",
     39:   "illegal data, number of eigenpairs provided ",
     40:   "illegal data, problem type flag ",
     41:   "illegal data, spectrum slicing flag ",
     42:   "illegal data, eigenvectors purification flag ",
     43:   "illegal data, level of output ",
     44:   "illegal data, output file unit ",
     45:   "illegal data, LCOMM (MPI or PVM) ",
     46:   "illegal data, dimension of ISTOR ",
     47:   "illegal data, convergence threshold ",
     48:   "illegal data, dimension of RSTOR ",
     49:   "illegal data on at least one PE ",
     50:   "ISTOR(3:14) must be equal on all PEs ",
     51:   "RSTOR(1:3) must be equal on all PEs ",
     52:   "not enough space in ISTOR to start eigensolution ",
     53:   "not enough space in RSTOR to start eigensolution ",
     54:   "illegal data, number of negative eigenvalues ",
     55:   "illegal data, entries of V ",
     56:   "illegal data, entries of X ",
     57:   "failure in computational subinterval ",
     58:   "file I/O error, blzpack.__.BQ ",
     59:   "file I/O error, blzpack.__.BX ",
     60:   "file I/O error, blzpack.__.Q ",
     61:   "file I/O error, blzpack.__.X ",
     62:   "parallel interface error "
     63: };

     67: PetscErrorCode EPSSetUp_BLZPACK(EPS eps)
     68: {
     70:   PetscInt       listor,lrstor,ncuv,k1,k2,k3,k4;
     71:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
     72:   PetscBool      issinv,istrivial,flg;

     75:   if (eps->ncv) {
     76:     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)");
     77:   } else eps->ncv = PetscMin(eps->nev+10,eps->nev*2);
     78:   if (eps->mpd) { PetscInfo(eps,"Warning: parameter mpd ignored\n"); }
     79:   if (!eps->max_it) eps->max_it = PetscMax(1000,eps->n);

     81:   if (!blz->block_size) blz->block_size = 3;
     82:   if (!eps->ishermitian) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Requested method is only available for Hermitian problems");
     83:   if (eps->which==EPS_ALL) {
     84:     if (eps->inta==0.0 && eps->intb==0.0) SETERRQ(PetscObjectComm((PetscObject)eps),1,"Must define a computational interval when using EPS_ALL");
     85:     blz->slice = 1;
     86:   }
     87:   PetscObjectTypeCompare((PetscObject)eps->st,STSINVERT,&issinv);
     88:   if (blz->slice || eps->isgeneralized) {
     89:     if (!issinv) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Shift-and-invert ST is needed for generalized problems or spectrum slicing");
     90:   }
     91:   if (blz->slice) {
     92:     if (eps->intb >= PETSC_MAX_REAL) { /* right-open interval */
     93:       if (eps->inta <= PETSC_MIN_REAL) SETERRQ(PetscObjectComm((PetscObject)eps),1,"The defined computational interval should have at least one of their sides bounded");
     94:       STSetDefaultShift(eps->st,eps->inta);
     95:     } else {
     96:       STSetDefaultShift(eps->st,eps->intb);
     97:     }
     98:   }
     99:   if (!eps->which) {
    100:     if (issinv) eps->which = EPS_TARGET_REAL;
    101:     else eps->which = EPS_SMALLEST_REAL;
    102:   }
    103:   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),1,"Wrong value of eps->which");
    104:   if (eps->arbitrary) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"Arbitrary selection of eigenpairs not supported in this solver");

    106:   k1 = PetscMin(eps->n,180);
    107:   k2 = blz->block_size;
    108:   k4 = PetscMin(eps->ncv,eps->n);
    109:   k3 = 484+k1*(13+k1*2+k2+PetscMax(18,k2+2))+k2*k2*3+k4*2;

    111:   listor = 123+k1*12;
    112:   PetscFree(blz->istor);
    113:   PetscMalloc1((17+listor),&blz->istor);
    114:   PetscLogObjectMemory((PetscObject)eps,(17+listor)*sizeof(PetscBLASInt));
    115:   PetscBLASIntCast(listor,&blz->istor[14]);

    117:   if (blz->slice) lrstor = eps->nloc*(k2*4+k1*2+k4)+k3;
    118:   else lrstor = eps->nloc*(k2*4+k1)+k3;
    119: lrstor*=10;
    120:   PetscFree(blz->rstor);
    121:   PetscMalloc1((4+lrstor),&blz->rstor);
    122:   PetscLogObjectMemory((PetscObject)eps,(4+lrstor)*sizeof(PetscReal));
    123:   blz->rstor[3] = lrstor;

    125:   ncuv = PetscMax(3,blz->block_size);
    126:   PetscFree(blz->u);
    127:   PetscMalloc1(ncuv*eps->nloc,&blz->u);
    128:   PetscLogObjectMemory((PetscObject)eps,ncuv*eps->nloc*sizeof(PetscScalar));
    129:   PetscFree(blz->v);
    130:   PetscMalloc1(ncuv*eps->nloc,&blz->v);
    131:   PetscLogObjectMemory((PetscObject)eps,ncuv*eps->nloc*sizeof(PetscScalar));

    133:   PetscFree(blz->eig);
    134:   PetscMalloc1(2*eps->ncv,&blz->eig);
    135:   PetscLogObjectMemory((PetscObject)eps,2*eps->ncv*sizeof(PetscReal));

    137:   if (eps->extraction) { PetscInfo(eps,"Warning: extraction type ignored\n"); }

    139:   EPSAllocateSolution(eps,0);
    140:   EPS_SetInnerProduct(eps);
    141:   PetscObjectTypeCompare((PetscObject)eps->V,BVVECS,&flg);
    142:   if (flg) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver requires a BV with contiguous storage");
    143:   RGIsTrivial(eps->rg,&istrivial);
    144:   if (!istrivial) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support region filtering");
    145:   if (eps->stopping!=EPSStoppingBasic) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"External packages do not support user-defined stopping test");

    147:   /* dispatch solve method */
    148:   eps->ops->solve = EPSSolve_BLZPACK;
    149:   return(0);
    150: }

    154: PetscErrorCode EPSSolve_BLZPACK(EPS eps)
    155: {
    157:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
    158:   PetscInt       nn;
    159:   PetscBLASInt   i,nneig,lflag,nvopu;
    160:   Vec            x,y,v0;
    161:   PetscScalar    sigma,*pV;
    162:   Mat            A;
    163:   KSP            ksp;
    164:   PC             pc;

    167:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&x);
    168:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)eps),1,eps->nloc,PETSC_DECIDE,NULL,&y);
    169:   EPSGetStartVector(eps,0,NULL);
    170:   BVSetActiveColumns(eps->V,0,0);  /* just for deflation space */
    171:   BVGetColumn(eps->V,0,&v0);
    172:   VecGetArray(v0,&pV);

    174:   if (eps->isgeneralized && !blz->slice) {
    175:     STGetShift(eps->st,&sigma); /* shift of origin */
    176:     blz->rstor[0]  = sigma;        /* lower limit of eigenvalue interval */
    177:     blz->rstor[1]  = sigma;        /* upper limit of eigenvalue interval */
    178:   } else {
    179:     sigma = 0.0;
    180:     blz->rstor[0]  = eps->inta;    /* lower limit of eigenvalue interval */
    181:     blz->rstor[1]  = eps->intb;    /* upper limit of eigenvalue interval */
    182:   }
    183:   nneig = 0;                       /* no. of eigs less than sigma */

    185:   PetscBLASIntCast(eps->nloc,&blz->istor[0]); /* no. of rows of U, V, X */
    186:   PetscBLASIntCast(eps->nloc,&blz->istor[1]); /* leading dim of U, V, X */
    187:   PetscBLASIntCast(eps->nev,&blz->istor[2]);  /* required eigenpairs */
    188:   PetscBLASIntCast(eps->ncv,&blz->istor[3]);  /* working eigenpairs */
    189:   blz->istor[4]  = blz->block_size;    /* number of vectors in a block */
    190:   blz->istor[5]  = blz->nsteps;        /* maximun number of steps per run */
    191:   blz->istor[6]  = 1;                  /* number of starting vectors as input */
    192:   blz->istor[7]  = 0;                  /* number of eigenpairs given as input */
    193:   blz->istor[8]  = (blz->slice || eps->isgeneralized) ? 1 : 0;   /* problem type */
    194:   blz->istor[9]  = blz->slice;         /* spectrum slicing */
    195:   blz->istor[10] = eps->isgeneralized ? 1 : 0;   /* solutions refinement (purify) */
    196:   blz->istor[11] = 0;                  /* level of printing */
    197:   blz->istor[12] = 6;                  /* file unit for output */
    198:   PetscBLASIntCast(MPI_Comm_c2f(PetscObjectComm((PetscObject)eps)),&blz->istor[13]);

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

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

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

    207:     switch (lflag) {
    208:     case 1:
    209:       /* compute v = OP u */
    210:       for (i=0;i<nvopu;i++) {
    211:         VecPlaceArray(x,blz->u+i*eps->nloc);
    212:         VecPlaceArray(y,blz->v+i*eps->nloc);
    213:         if (blz->slice || eps->isgeneralized) {
    214:           STMatSolve(eps->st,x,y);
    215:         } else {
    216:           STApply(eps->st,x,y);
    217:         }
    218:         BVOrthogonalizeVec(eps->V,y,NULL,NULL,NULL);
    219:         VecResetArray(x);
    220:         VecResetArray(y);
    221:       }
    222:       /* monitor */
    223:       eps->nconv  = BLZistorr_(blz->istor,"NTEIG",5);
    224:       EPSMonitor(eps,eps->its,eps->nconv,
    225:         blz->rstor+BLZistorr_(blz->istor,"IRITZ",5),
    226:         eps->eigi,
    227:         blz->rstor+BLZistorr_(blz->istor,"IRITZ",5)+BLZistorr_(blz->istor,"JT",2),
    228:         BLZistorr_(blz->istor,"NRITZ",5));
    229:       eps->its = eps->its + 1;
    230:       if (eps->its >= eps->max_it || eps->nconv >= eps->nev) lflag = 5;
    231:       break;
    232:     case 2:
    233:       /* compute v = B u */
    234:       for (i=0;i<nvopu;i++) {
    235:         VecPlaceArray(x,blz->u+i*eps->nloc);
    236:         VecPlaceArray(y,blz->v+i*eps->nloc);
    237:         BVApplyMatrix(eps->V,x,y);
    238:         VecResetArray(x);
    239:         VecResetArray(y);
    240:       }
    241:       break;
    242:     case 3:
    243:       /* update shift */
    244:       PetscInfo1(eps,"Factorization update (sigma=%g)\n",(double)sigma);
    245:       STSetShift(eps->st,sigma);
    246:       STGetKSP(eps->st,&ksp);
    247:       KSPGetPC(ksp,&pc);
    248:       PCFactorGetMatrix(pc,&A);
    249:       MatGetInertia(A,&nn,NULL,NULL);
    250:       PetscBLASIntCast(nn,&nneig);
    251:       break;
    252:     case 4:
    253:       /* copy the initial vector */
    254:       VecPlaceArray(x,blz->v);
    255:       VecCopy(v0,x);
    256:       VecResetArray(x);
    257:       break;
    258:     }

    260:   } while (lflag > 0);

    262:   VecRestoreArray(v0,&pV);
    263:   BVRestoreColumn(eps->V,0,&v0);

    265:   eps->nconv  = BLZistorr_(blz->istor,"NTEIG",5);
    266:   eps->reason = EPS_CONVERGED_TOL;

    268:   for (i=0;i<eps->nconv;i++) {
    269:     eps->eigr[i]=blz->eig[i];
    270:   }

    272:   if (lflag!=0) {
    273:     char msg[2048] = "";
    274:     for (i = 0; i < 33; i++) {
    275:       if (blz->istor[15] & (1 << i)) PetscStrcat(msg,blzpack_error[i]);
    276:     }
    277:     SETERRQ2(PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Error in BLZPACK (code=%d): '%s'",blz->istor[15],msg);
    278:   }
    279:   VecDestroy(&x);
    280:   VecDestroy(&y);
    281:   return(0);
    282: }

    286: PetscErrorCode EPSBackTransform_BLZPACK(EPS eps)
    287: {
    289:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    292:   if (!blz->slice && !eps->isgeneralized) {
    293:     EPSBackTransform_Default(eps);
    294:   }
    295:   return(0);
    296: }

    300: PetscErrorCode EPSReset_BLZPACK(EPS eps)
    301: {
    303:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    306:   PetscFree(blz->istor);
    307:   PetscFree(blz->rstor);
    308:   PetscFree(blz->u);
    309:   PetscFree(blz->v);
    310:   PetscFree(blz->eig);
    311:   return(0);
    312: }

    316: PetscErrorCode EPSDestroy_BLZPACK(EPS eps)
    317: {

    321:   PetscFree(eps->data);
    322:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetBlockSize_C",NULL);
    323:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetNSteps_C",NULL);
    324:   return(0);
    325: }

    329: PetscErrorCode EPSView_BLZPACK(EPS eps,PetscViewer viewer)
    330: {
    332:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
    333:   PetscBool      isascii;

    336:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii);
    337:   if (isascii) {
    338:     PetscViewerASCIIPrintf(viewer,"  BLZPACK: block size=%d\n",blz->block_size);
    339:     PetscViewerASCIIPrintf(viewer,"  BLZPACK: maximum number of steps per run=%d\n",blz->nsteps);
    340:     if (blz->slice) {
    341:       PetscViewerASCIIPrintf(viewer,"  BLZPACK: computational interval [%f,%f]\n",eps->inta,eps->intb);
    342:     }
    343:   }
    344:   return(0);
    345: }

    349: PetscErrorCode EPSSetFromOptions_BLZPACK(PetscOptionItems *PetscOptionsObject,EPS eps)
    350: {
    352:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;
    353:   PetscInt       bs,n;
    354:   PetscBool      flg;

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

    359:   bs = blz->block_size;
    360:   PetscOptionsInt("-eps_blzpack_block_size","Block size","EPSBlzpackSetBlockSize",bs,&bs,&flg);
    361:   if (flg) {
    362:     EPSBlzpackSetBlockSize(eps,bs);
    363:   }

    365:   n = blz->nsteps;
    366:   PetscOptionsInt("-eps_blzpack_nsteps","Number of steps","EPSBlzpackSetNSteps",n,&n,&flg);
    367:   if (flg) {
    368:     EPSBlzpackSetNSteps(eps,n);
    369:   }

    371:   PetscOptionsTail();
    372:   return(0);
    373: }

    377: static PetscErrorCode EPSBlzpackSetBlockSize_BLZPACK(EPS eps,PetscInt bs)
    378: {
    380:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    383:   if (bs == PETSC_DEFAULT) blz->block_size = 3;
    384:   else if (bs <= 0) SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Block size must be positive");
    385:   else {
    386:     PetscBLASIntCast(bs,&blz->block_size);
    387:   }
    388:   return(0);
    389: }

    393: /*@
    394:    EPSBlzpackSetBlockSize - Sets the block size for the BLZPACK package.

    396:    Collective on EPS

    398:    Input Parameters:
    399: +  eps - the eigenproblem solver context
    400: -  bs - block size

    402:    Options Database Key:
    403: .  -eps_blzpack_block_size - Sets the value of the block size

    405:    Level: advanced
    406: @*/
    407: PetscErrorCode EPSBlzpackSetBlockSize(EPS eps,PetscInt bs)
    408: {

    414:   PetscTryMethod(eps,"EPSBlzpackSetBlockSize_C",(EPS,PetscInt),(eps,bs));
    415:   return(0);
    416: }

    420: static PetscErrorCode EPSBlzpackSetNSteps_BLZPACK(EPS eps,PetscInt nsteps)
    421: {
    423:   EPS_BLZPACK    *blz = (EPS_BLZPACK*)eps->data;

    426:   if (nsteps == PETSC_DEFAULT) blz->nsteps = 0;
    427:   else {
    428:     PetscBLASIntCast(nsteps,&blz->nsteps);
    429:   }
    430:   return(0);
    431: }

    435: /*@
    436:    EPSBlzpackSetNSteps - Sets the maximum number of steps per run for the BLZPACK
    437:    package.

    439:    Collective on EPS

    441:    Input Parameters:
    442: +  eps     - the eigenproblem solver context
    443: -  nsteps  - maximum number of steps

    445:    Options Database Key:
    446: .  -eps_blzpack_nsteps - Sets the maximum number of steps per run

    448:    Level: advanced

    450: @*/
    451: PetscErrorCode EPSBlzpackSetNSteps(EPS eps,PetscInt nsteps)
    452: {

    458:   PetscTryMethod(eps,"EPSBlzpackSetNSteps_C",(EPS,PetscInt),(eps,nsteps));
    459:   return(0);
    460: }

    464: PETSC_EXTERN PetscErrorCode EPSCreate_BLZPACK(EPS eps)
    465: {
    467:   EPS_BLZPACK    *blzpack;

    470:   PetscNewLog(eps,&blzpack);
    471:   eps->data = (void*)blzpack;

    473:   eps->ops->setup                = EPSSetUp_BLZPACK;
    474:   eps->ops->setfromoptions       = EPSSetFromOptions_BLZPACK;
    475:   eps->ops->destroy              = EPSDestroy_BLZPACK;
    476:   eps->ops->reset                = EPSReset_BLZPACK;
    477:   eps->ops->view                 = EPSView_BLZPACK;
    478:   eps->ops->backtransform        = EPSBackTransform_BLZPACK;
    479:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetBlockSize_C",EPSBlzpackSetBlockSize_BLZPACK);
    480:   PetscObjectComposeFunction((PetscObject)eps,"EPSBlzpackSetNSteps_C",EPSBlzpackSetNSteps_BLZPACK);
    481:   return(0);
    482: }