Date: 2022-11-02T11:47:53+00:00

Actual source code: epsimpl.h
slepc-3.18.1 2022-11-02
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      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: */

     11: #if !defined(SLEPCEPSIMPL_H)
     12: #define SLEPCEPSIMPL_H

     14: #include <slepceps.h>
     15: #include <slepc/private/slepcimpl.h>

     17: /* SUBMANSEC = EPS */

     19: SLEPC_EXTERN PetscBool EPSRegisterAllCalled;
     20: SLEPC_EXTERN PetscBool EPSMonitorRegisterAllCalled;
     21: SLEPC_EXTERN PetscErrorCode EPSRegisterAll(void);
     22: SLEPC_EXTERN PetscErrorCode EPSMonitorRegisterAll(void);
     23: SLEPC_EXTERN PetscLogEvent EPS_SetUp,EPS_Solve,EPS_CISS_SVD;

     25: typedef struct _EPSOps *EPSOps;

     27: struct _EPSOps {
     28:   PetscErrorCode (*solve)(EPS);
     29:   PetscErrorCode (*setup)(EPS);
     30:   PetscErrorCode (*setupsort)(EPS);
     31:   PetscErrorCode (*setfromoptions)(EPS,PetscOptionItems*);
     32:   PetscErrorCode (*publishoptions)(EPS);
     33:   PetscErrorCode (*destroy)(EPS);
     34:   PetscErrorCode (*reset)(EPS);
     35:   PetscErrorCode (*view)(EPS,PetscViewer);
     36:   PetscErrorCode (*backtransform)(EPS);
     37:   PetscErrorCode (*computevectors)(EPS);
     38:   PetscErrorCode (*setdefaultst)(EPS);
     39: };

     41: /*
     42:    Maximum number of monitors you can run with a single EPS
     43: */
     44: #define MAXEPSMONITORS 5

     46: /*
     47:    The solution process goes through several states
     48: */
     49: typedef enum { EPS_STATE_INITIAL,
     50:                EPS_STATE_SETUP,
     51:                EPS_STATE_SOLVED,
     52:                EPS_STATE_EIGENVECTORS } EPSStateType;

     54: /*
     55:    To classify the different solvers into categories
     56: */
     57: typedef enum { EPS_CATEGORY_KRYLOV,      /* Krylov solver: relies on STApply and STBackTransform (same as OTHER) */
     58:                EPS_CATEGORY_PRECOND,     /* Preconditioned solver: uses ST only to manage preconditioner */
     59:                EPS_CATEGORY_CONTOUR,     /* Contour integral: ST used to solve linear systems at integration points */
     60:                EPS_CATEGORY_OTHER } EPSSolverType;

     62: /*
     63:    To check for unsupported features at EPSSetUp_XXX()
     64: */
     65: typedef enum { EPS_FEATURE_BALANCE=1,       /* balancing */
     66:                EPS_FEATURE_ARBITRARY=2,     /* arbitrary selection of eigepairs */
     67:                EPS_FEATURE_REGION=4,        /* nontrivial region for filtering */
     68:                EPS_FEATURE_EXTRACTION=8,    /* extraction technique different from Ritz */
     69:                EPS_FEATURE_CONVERGENCE=16,  /* convergence test selected by user */
     70:                EPS_FEATURE_STOPPING=32,     /* stopping test */
     71:                EPS_FEATURE_TWOSIDED=64      /* two-sided variant */
     72:              } EPSFeatureType;

     74: /*
     75:    Defines the EPS data structure
     76: */
     77: struct _p_EPS {
     78:   PETSCHEADER(struct _EPSOps);
     79:   /*------------------------- User parameters ---------------------------*/
     80:   PetscInt       max_it;           /* maximum number of iterations */
     81:   PetscInt       nev;              /* number of eigenvalues to compute */
     82:   PetscInt       ncv;              /* number of basis vectors */
     83:   PetscInt       mpd;              /* maximum dimension of projected problem */
     84:   PetscInt       nini,ninil;       /* number of initial vectors (negative means not copied yet) */
     85:   PetscInt       nds;              /* number of basis vectors of deflation space */
     86:   PetscScalar    target;           /* target value */
     87:   PetscReal      tol;              /* tolerance */
     88:   EPSConv        conv;             /* convergence test */
     89:   EPSStop        stop;             /* stopping test */
     90:   EPSWhich       which;            /* which part of the spectrum to be sought */
     91:   PetscReal      inta,intb;        /* interval [a,b] for spectrum slicing */
     92:   EPSProblemType problem_type;     /* which kind of problem to be solved */
     93:   EPSExtraction  extraction;       /* which kind of extraction to be applied */
     94:   EPSBalance     balance;          /* the balancing method */
     95:   PetscInt       balance_its;      /* number of iterations of the balancing method */
     96:   PetscReal      balance_cutoff;   /* cutoff value for balancing */
     97:   PetscBool      trueres;          /* whether the true residual norm must be computed */
     98:   PetscBool      trackall;         /* whether all the residuals must be computed */
     99:   PetscBool      purify;           /* whether eigenvectors need to be purified */
    100:   PetscBool      twosided;         /* whether to compute left eigenvectors (two-sided solver) */

    102:   /*-------------- User-provided functions and contexts -----------------*/
    103:   PetscErrorCode (*converged)(EPS,PetscScalar,PetscScalar,PetscReal,PetscReal*,void*);
    104:   PetscErrorCode (*convergeduser)(EPS,PetscScalar,PetscScalar,PetscReal,PetscReal*,void*);
    105:   PetscErrorCode (*convergeddestroy)(void*);
    106:   PetscErrorCode (*stopping)(EPS,PetscInt,PetscInt,PetscInt,PetscInt,EPSConvergedReason*,void*);
    107:   PetscErrorCode (*stoppinguser)(EPS,PetscInt,PetscInt,PetscInt,PetscInt,EPSConvergedReason*,void*);
    108:   PetscErrorCode (*stoppingdestroy)(void*);
    109:   PetscErrorCode (*arbitrary)(PetscScalar,PetscScalar,Vec,Vec,PetscScalar*,PetscScalar*,void*);
    110:   void           *convergedctx;
    111:   void           *stoppingctx;
    112:   void           *arbitraryctx;
    113:   PetscErrorCode (*monitor[MAXEPSMONITORS])(EPS,PetscInt,PetscInt,PetscScalar*,PetscScalar*,PetscReal*,PetscInt,void*);
    114:   PetscErrorCode (*monitordestroy[MAXEPSMONITORS])(void**);
    115:   void           *monitorcontext[MAXEPSMONITORS];
    116:   PetscInt       numbermonitors;

    118:   /*----------------- Child objects and working data -------------------*/
    119:   ST             st;               /* spectral transformation object */
    120:   DS             ds;               /* direct solver object */
    121:   BV             V;                /* set of basis vectors and computed eigenvectors */
    122:   BV             W;                /* left basis vectors (if left eigenvectors requested) */
    123:   RG             rg;               /* optional region for filtering */
    124:   SlepcSC        sc;               /* sorting criterion data */
    125:   Vec            D;                /* diagonal matrix for balancing */
    126:   Vec            *IS,*ISL;         /* references to user-provided initial spaces */
    127:   Vec            *defl;            /* references to user-provided deflation space */
    128:   PetscScalar    *eigr,*eigi;      /* real and imaginary parts of eigenvalues */
    129:   PetscReal      *errest;          /* error estimates */
    130:   PetscScalar    *rr,*ri;          /* values computed by user's arbitrary selection function */
    131:   PetscInt       *perm;            /* permutation for eigenvalue ordering */
    132:   PetscInt       nwork;            /* number of work vectors */
    133:   Vec            *work;            /* work vectors */
    134:   void           *data;            /* placeholder for solver-specific stuff */

    136:   /* ----------------------- Status variables --------------------------*/
    137:   EPSStateType   state;            /* initial -> setup -> solved -> eigenvectors */
    138:   EPSSolverType  categ;            /* solver category */
    139:   PetscInt       nconv;            /* number of converged eigenvalues */
    140:   PetscInt       its;              /* number of iterations so far computed */
    141:   PetscInt       n,nloc;           /* problem dimensions (global, local) */
    142:   PetscReal      nrma,nrmb;        /* computed matrix norms */
    143:   PetscBool      useds;            /* whether the solver uses the DS object or not */
    144:   PetscBool      isgeneralized;
    145:   PetscBool      ispositive;
    146:   PetscBool      ishermitian;
    147:   EPSConvergedReason reason;
    148: };

    150: /*
    151:     Macros to test valid EPS arguments
    152: */
    153: #if !defined(PETSC_USE_DEBUG)

    155: #define EPSCheckSolved(h,arg) do {(void)(h);} while (0)

    157: #else

    159: #define EPSCheckSolved(h,arg) \
    160:   do { \
    162:   } while (0)

    164: #endif

    166: /*
    167:     Macros to check settings at EPSSetUp()
    168: */

    170: /* EPSCheckHermitianDefinite: the problem is HEP or GHEP */
    171: #define EPSCheckHermitianDefiniteCondition(eps,condition,msg) \
    172:   do { \
    173:     if (condition) { \
    176:     } \
    177:   } while (0)
    178: #define EPSCheckHermitianDefinite(eps) EPSCheckHermitianDefiniteCondition(eps,PETSC_TRUE,"")

    180: /* EPSCheckHermitian: the problem is HEP, GHEP, or GHIEP */
    181: #define EPSCheckHermitianCondition(eps,condition,msg) \
    182:   do { \
    183:     if (condition) { \
    185:     } \
    186:   } while (0)
    187: #define EPSCheckHermitian(eps) EPSCheckHermitianCondition(eps,PETSC_TRUE,"")

    189: /* EPSCheckDefinite: the problem is not GHIEP */
    190: #define EPSCheckDefiniteCondition(eps,condition,msg) \
    191:   do { \
    192:     if (condition) { \
    194:     } \
    195:   } while (0)
    196: #define EPSCheckDefinite(eps) EPSCheckDefiniteCondition(eps,PETSC_TRUE,"")

    198: /* EPSCheckStandard: the problem is HEP or NHEP */
    199: #define EPSCheckStandardCondition(eps,condition,msg) \
    200:   do { \
    201:     if (condition) { \
    203:     } \
    204:   } while (0)
    205: #define EPSCheckStandard(eps) EPSCheckStandardCondition(eps,PETSC_TRUE,"")

    207: /* EPSCheckSinvert: shift-and-invert ST */
    208: #define EPSCheckSinvertCondition(eps,condition,msg) \
    209:   do { \
    210:     if (condition) { \
    211:       PetscBool __flg; \
    212:       PetscObjectTypeCompare((PetscObject)(eps)->st,STSINVERT,&__flg); \
    214:     } \
    215:   } while (0)
    216: #define EPSCheckSinvert(eps) EPSCheckSinvertCondition(eps,PETSC_TRUE,"")

    218: /* EPSCheckSinvertCayley: shift-and-invert or Cayley ST */
    219: #define EPSCheckSinvertCayleyCondition(eps,condition,msg) \
    220:   do { \
    221:     if (condition) { \
    222:       PetscBool __flg; \
    223:       PetscObjectTypeCompareAny((PetscObject)(eps)->st,&__flg,STSINVERT,STCAYLEY,""); \
    225:     } \
    226:   } while (0)
    227: #define EPSCheckSinvertCayley(eps) EPSCheckSinvertCayleyCondition(eps,PETSC_TRUE,"")

    229: /* Check for unsupported features */
    230: #define EPSCheckUnsupportedCondition(eps,mask,condition,msg) \
    231:   do { \
    232:     if (condition) { \
    235:       if ((mask) & EPS_FEATURE_REGION) { \
    236:         PetscBool      __istrivial; \
    237:         RGIsTrivial((eps)->rg,&__istrivial); \
    239:       } \
    244:     } \
    245:   } while (0)
    246: #define EPSCheckUnsupported(eps,mask) EPSCheckUnsupportedCondition(eps,mask,PETSC_TRUE,"")

    248: /* Check for ignored features */
    249: #define EPSCheckIgnoredCondition(eps,mask,condition,msg) \
    250:   do { \
    251:     if (condition) { \
    252:       if (((mask) & EPS_FEATURE_BALANCE) && (eps)->balance!=EPS_BALANCE_NONE) PetscInfo((eps),"The solver '%s'%s ignores the balancing settings\n",((PetscObject)(eps))->type_name,(msg)); \
    253:       if (((mask) & EPS_FEATURE_ARBITRARY) && (eps)->arbitrary) PetscInfo((eps),"The solver '%s'%s ignores the settings for arbitrary selection of eigenpairs\n",((PetscObject)(eps))->type_name,(msg)); \
    254:       if ((mask) & EPS_FEATURE_REGION) { \
    255:         PetscBool __istrivial; \
    256:         RGIsTrivial((eps)->rg,&__istrivial); \
    257:         if (!__istrivial) PetscInfo((eps),"The solver '%s'%s ignores the specified region\n",((PetscObject)(eps))->type_name,(msg)); \
    258:       } \
    259:       if (((mask) & EPS_FEATURE_EXTRACTION) && (eps)->extraction!=EPS_RITZ) PetscInfo((eps),"The solver '%s'%s ignores the extraction settings\n",((PetscObject)(eps))->type_name,(msg)); \
    260:       if (((mask) & EPS_FEATURE_CONVERGENCE) && (eps)->converged!=EPSConvergedRelative) PetscInfo((eps),"The solver '%s'%s ignores the convergence test settings\n",((PetscObject)(eps))->type_name,(msg)); \
    261:       if (((mask) & EPS_FEATURE_STOPPING) && (eps)->stopping!=EPSStoppingBasic) PetscInfo((eps),"The solver '%s'%s ignores the stopping test settings\n",((PetscObject)(eps))->type_name,(msg)); \
    262:       if (((mask) & EPS_FEATURE_TWOSIDED) && (eps)->twosided) PetscInfo((eps),"The solver '%s'%s ignores the two-sided flag\n",((PetscObject)(eps))->type_name,(msg)); \
    263:     } \
    264:   } while (0)
    265: #define EPSCheckIgnored(eps,mask) EPSCheckIgnoredCondition(eps,mask,PETSC_TRUE,"")

    267: /*
    268:   EPS_SetInnerProduct - set B matrix for inner product if appropriate.
    269: */
    270: static inline PetscErrorCode EPS_SetInnerProduct(EPS eps)
    271: {
    272:   Mat            B;

    274:   if (!eps->V) EPSGetBV(eps,&eps->V);
    275:   if (eps->ispositive || (eps->isgeneralized && eps->ishermitian)) {
    276:     STGetBilinearForm(eps->st,&B);
    277:     BVSetMatrix(eps->V,B,PetscNot(eps->ispositive));
    278:     MatDestroy(&B);
    279:   } else BVSetMatrix(eps->V,NULL,PETSC_FALSE);
    280:   return 0;
    281: }

    283: /*
    284:   EPS_Purify - purify the first k vectors in the V basis
    285: */
    286: static inline PetscErrorCode EPS_Purify(EPS eps,PetscInt k)
    287: {
    288:   PetscInt       i;
    289:   Vec            v,z;

    291:   BVCreateVec(eps->V,&v);
    292:   for (i=0;i<k;i++) {
    293:     BVCopyVec(eps->V,i,v);
    294:     BVGetColumn(eps->V,i,&z);
    295:     STApply(eps->st,v,z);
    296:     BVRestoreColumn(eps->V,i,&z);
    297:   }
    298:   VecDestroy(&v);
    299:   return 0;
    300: }

    302: /*
    303:   EPS_KSPSetOperators - Sets the KSP matrices, see also ST_KSPSetOperators()
    304: */
    305: static inline PetscErrorCode EPS_KSPSetOperators(KSP ksp,Mat A,Mat B)
    306: {
    307:   const char     *prefix;

    309:   KSPSetOperators(ksp,A,B);
    310:   MatGetOptionsPrefix(B,&prefix);
    311:   if (!prefix) {
    312:     /* set Mat prefix to be the same as KSP to enable setting command-line options (e.g. MUMPS)
    313:        only applies if the Mat has no user-defined prefix */
    314:     KSPGetOptionsPrefix(ksp,&prefix);
    315:     MatSetOptionsPrefix(B,prefix);
    316:   }
    317:   return 0;
    318: }

    320: SLEPC_INTERN PetscErrorCode EPSSetWhichEigenpairs_Default(EPS);
    321: SLEPC_INTERN PetscErrorCode EPSSetDimensions_Default(EPS,PetscInt,PetscInt*,PetscInt*);
    322: SLEPC_INTERN PetscErrorCode EPSBackTransform_Default(EPS);
    323: SLEPC_INTERN PetscErrorCode EPSComputeVectors(EPS);
    324: SLEPC_INTERN PetscErrorCode EPSComputeVectors_Hermitian(EPS);
    325: SLEPC_INTERN PetscErrorCode EPSComputeVectors_Schur(EPS);
    326: SLEPC_INTERN PetscErrorCode EPSComputeVectors_Indefinite(EPS);
    327: SLEPC_INTERN PetscErrorCode EPSComputeVectors_Twosided(EPS);
    328: SLEPC_INTERN PetscErrorCode EPSComputeVectors_Slice(EPS);
    329: SLEPC_INTERN PetscErrorCode EPSComputeResidualNorm_Private(EPS,PetscBool,PetscScalar,PetscScalar,Vec,Vec,Vec*,PetscReal*);
    330: SLEPC_INTERN PetscErrorCode EPSComputeRitzVector(EPS,PetscScalar*,PetscScalar*,BV,Vec,Vec);
    331: SLEPC_INTERN PetscErrorCode EPSGetStartVector(EPS,PetscInt,PetscBool*);
    332: SLEPC_INTERN PetscErrorCode EPSGetLeftStartVector(EPS,PetscInt,PetscBool*);
    333: SLEPC_INTERN PetscErrorCode MatEstimateSpectralRange_EPS(Mat,PetscReal*,PetscReal*);

    335: /* Private functions of the solver implementations */

    337: SLEPC_INTERN PetscErrorCode EPSDelayedArnoldi(EPS,PetscScalar*,PetscInt,PetscInt,PetscInt*,PetscReal*,PetscBool*);
    338: SLEPC_INTERN PetscErrorCode EPSDelayedArnoldi1(EPS,PetscScalar*,PetscInt,PetscInt,PetscInt*,PetscReal*,PetscBool*);
    339: SLEPC_INTERN PetscErrorCode EPSKrylovConvergence(EPS,PetscBool,PetscInt,PetscInt,PetscReal,PetscReal,PetscReal,PetscInt*);
    340: SLEPC_INTERN PetscErrorCode EPSPseudoLanczos(EPS,PetscReal*,PetscReal*,PetscReal*,PetscInt,PetscInt*,PetscBool*,PetscBool*,PetscReal*,Vec);
    341: SLEPC_INTERN PetscErrorCode EPSBuildBalance_Krylov(EPS);
    342: SLEPC_INTERN PetscErrorCode EPSSetDefaultST(EPS);
    343: SLEPC_INTERN PetscErrorCode EPSSetDefaultST_Precond(EPS);
    344: SLEPC_INTERN PetscErrorCode EPSSetDefaultST_GMRES(EPS);
    345: SLEPC_INTERN PetscErrorCode EPSSetDefaultST_NoFactor(EPS);
    346: SLEPC_INTERN PetscErrorCode EPSSetUpSort_Basic(EPS);
    347: SLEPC_INTERN PetscErrorCode EPSSetUpSort_Default(EPS);

    349: #endif