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jroman |
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/*
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SLEPc eigensolver: "krylovschur"
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Method: Krylov-Schur with spectrum slicing for symmetric eigenproblems
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References:
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[1] R.G. Grimes et al., "A shifted block Lanczos algorithm for solving
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sparse symmetric generalized eigenproblems", SIAM J. Matrix Analysis
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and App., 15(1), pp. 228–272, 1994.
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[2] G.W. Stewart, "A Krylov-Schur Algorithm for Large Eigenproblems",
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SIAM J. Matrix Analysis and App., 23(3), pp. 601-614, 2001.
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- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
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SLEPc - Scalable Library for Eigenvalue Problem Computations
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eromero |
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Copyright (c) 2002-2011, Universitat Politecnica de Valencia, Spain
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jroman |
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This file is part of SLEPc.
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carcamgo |
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jroman |
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SLEPc is free software: you can redistribute it and/or modify it under the
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terms of version 3 of the GNU Lesser General Public License as published by
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the Free Software Foundation.
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SLEPc is distributed in the hope that it will be useful, but WITHOUT ANY
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WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
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FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for
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more details.
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You should have received a copy of the GNU Lesser General Public License
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along with SLEPc. If not, see <http://www.gnu.org/licenses/>.
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- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
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*/
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#include <private/epsimpl.h> /*I "slepceps.h" I*/
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#include <slepcblaslapack.h>
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extern PetscErrorCode EPSProjectedKSSym(EPS,PetscInt,PetscInt,PetscReal*,PetscReal*,PetscScalar*,PetscScalar*,PetscReal*,PetscInt*);
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carcamgo |
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/* Type of data characterizing a shift (place from where an eps is applied) */
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typedef struct _n_shift *shift;
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struct _n_shift{
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PetscReal value;
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PetscInt inertia;
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carcamgo |
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PetscBool comp[2]; /* Shows completion of subintervals (left and right) */
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shift neighb[2];/* Adjacent shifts */
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PetscInt index;/* Index in eig where found values are stored */
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PetscInt neigs; /* Number of values found */
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PetscReal ext[2]; /* Limits for accepted values */
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PetscInt nsch[2]; /* Number of missing values for each subinterval */
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PetscInt nconv[2]; /* Converged on each side (accepted or not)*/
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carcamgo |
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};
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/* Type of data for storing the state of spectrum slicing*/
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carcamgo |
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struct _n_SR{
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carcamgo |
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PetscReal int0,int1; /* Extremes of the interval */
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PetscInt dir; /* Determines the order of values in eig (+1 incr, -1 decr) */
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PetscBool hasEnd; /* Tells whether the interval has an end */
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carcamgo |
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PetscInt inertia0,inertia1;
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Vec *V;
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carcamgo |
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PetscScalar *eig,*eigi,*monit;
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carcamgo |
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PetscReal *errest;
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PetscInt *perm;/* Permutation for keeping the eigenvalues in order */
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PetscInt numEigs; /* Number of eigenvalues in the interval */
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carcamgo |
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PetscInt indexEig;
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carcamgo |
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shift sPres; /* Present shift */
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shift *pending;/* Pending shifts array */
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PetscInt nPend;/* Number of pending shifts */
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PetscInt maxPend;/* Size of "pending" array */
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Vec *VDef; /* Vector for deflation */
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PetscInt *idxDef;/* For deflation */
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carcamgo |
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PetscInt nMAXCompl;
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PetscInt iterCompl;
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carcamgo |
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PetscInt itsKs; /* Krylovschur restarts */
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PetscInt nleap;
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shift s0;/* Initial shift */
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carcamgo |
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};
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carcamgo |
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typedef struct _n_SR *SR;
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/*
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Fills the fields of a shift structure
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*/
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carcamgo |
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#undef __FUNCT__
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#define __FUNCT__ "EPSCreateShift"
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jroman |
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static PetscErrorCode EPSCreateShift(EPS eps,PetscReal val, shift neighb0,shift neighb1)
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jroman |
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{
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carcamgo |
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PetscErrorCode ierr;
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shift s,*pending2;
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PetscInt i;
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SR sr;
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PetscFunctionBegin;
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sr = (SR)(eps->data);
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ierr = PetscMalloc(sizeof(struct _n_shift),&s);CHKERRQ(ierr);
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s->value = val;
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s->neighb[0] = neighb0;
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carcamgo |
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if(neighb0) neighb0->neighb[1] = s;
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carcamgo |
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s->neighb[1] = neighb1;
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carcamgo |
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if(neighb1) neighb1->neighb[0] = s;
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eromero |
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s->comp[0] = PETSC_FALSE;
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s->comp[1] = PETSC_FALSE;
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carcamgo |
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s->index = -1;
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s->neigs = 0;
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carcamgo |
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s->nconv[0] = s->nconv[1] = 0;
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carcamgo |
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s->nsch[0] = s->nsch[1]=0;
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carcamgo |
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/* Inserts in the stack of pending shifts */
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/* If needed, the array is resized */
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carcamgo |
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if(sr->nPend >= sr->maxPend){
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sr->maxPend *= 2;
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ierr = PetscMalloc((sr->maxPend)*sizeof(shift),&pending2);CHKERRQ(ierr);
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for(i=0;i < sr->nPend; i++)pending2[i] = sr->pending[i];
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ierr = PetscFree(sr->pending);CHKERRQ(ierr);
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sr->pending = pending2;
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}
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sr->pending[sr->nPend++]=s;
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PetscFunctionReturn(0);
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}
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/* Provides next shift to be computed */
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#undef __FUNCT__
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#define __FUNCT__ "EPSExtractShift"
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static PetscErrorCode EPSExtractShift(EPS eps){
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PetscErrorCode ierr;
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PetscInt iner;
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Mat F;
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PC pc;
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KSP ksp;
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SR sr;
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PetscFunctionBegin;
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sr = (SR)(eps->data);
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if(sr->nPend > 0){
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sr->sPres = sr->pending[--sr->nPend];
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ierr = STSetShift(eps->OP, sr->sPres->value);CHKERRQ(ierr);
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ierr = STGetKSP(eps->OP, &ksp);CHKERRQ(ierr);
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ierr = KSPGetPC(ksp, &pc);CHKERRQ(ierr);
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ierr = PCFactorGetMatrix(pc,&F);CHKERRQ(ierr);
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ierr = MatGetInertia(F,&iner,PETSC_NULL,PETSC_NULL);CHKERRQ(ierr);
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sr->sPres->inertia = iner;
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eps->target = sr->sPres->value;
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eps->nconv = 0;
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eps->reason = EPS_CONVERGED_ITERATING;
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carcamgo |
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eps->its = 0;
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carcamgo |
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}else sr->sPres = PETSC_NULL;
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PetscFunctionReturn(0);
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}
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/*
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carcamgo |
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Symmetric KrylovSchur adapted to spectrum slicing:
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carcamgo |
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Allows searching an specific amount of eigenvalues in the subintervals left and right.
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Returns whether the search has succeeded
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carcamgo |
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*/
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#undef __FUNCT__
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#define __FUNCT__ "EPSKrylovSchur_Slice"
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static PetscErrorCode EPSKrylovSchur_Slice(EPS eps)
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{
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jroman |
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PetscErrorCode ierr;
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carcamgo |
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PetscInt i,conv,k,l,lds,lt,nv,m,*iwork,p,j;
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jroman |
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Vec u=eps->work[0];
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PetscScalar *Q;
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carcamgo |
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PetscReal *a,*b,*work,beta,rtmp;
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jroman |
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PetscBool breakdown;
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carcamgo |
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PetscInt count0,count1;
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carcamgo |
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PetscReal theta,lambda;
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shift sPres;
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carcamgo |
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PetscBool complIterating;/* Shows whether iterations are made for completion */
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PetscBool sch0,sch1;/* Shows whether values are looked after on each side */
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carcamgo |
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PetscInt iterCompl=0,n0,n1,aux,auxc;
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carcamgo |
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SR sr;
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jroman |
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PetscFunctionBegin;
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carcamgo |
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/* Spectrum slicing data */
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carcamgo |
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sr = (SR)eps->data;
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sPres = sr->sPres;
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complIterating =PETSC_FALSE;
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sch1 = sch0 = PETSC_TRUE;
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jroman |
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lds = PetscMin(eps->mpd,eps->ncv);
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ierr = PetscMalloc(lds*lds*sizeof(PetscReal),&work);CHKERRQ(ierr);
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ierr = PetscMalloc(lds*lds*sizeof(PetscScalar),&Q);CHKERRQ(ierr);
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ierr = PetscMalloc(2*lds*sizeof(PetscInt),&iwork);CHKERRQ(ierr);
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lt = PetscMin(eps->nev+eps->mpd,eps->ncv);
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carcamgo |
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ierr = PetscMalloc(lt*sizeof(PetscReal),&a);CHKERRQ(ierr);
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ierr = PetscMalloc(lt*sizeof(PetscReal),&b);CHKERRQ(ierr);
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carcamgo |
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count0=0;count1=0; /* Found on both sides */
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carcamgo |
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/* filling in values for the monitor */
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for(i=0;i<sr->indexEig;i++){
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sr->monit[i]=1.0/(sr->eig[i] - sPres->value);
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}
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carcamgo |
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jroman |
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/* Get the starting Lanczos vector */
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ierr = EPSGetStartVector(eps,0,eps->V[0],PETSC_NULL);CHKERRQ(ierr);
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l = 0;
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/* Restart loop */
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while (eps->reason == EPS_CONVERGED_ITERATING) {
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carcamgo |
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eps->its++; sr->itsKs++;
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jroman |
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/* Compute an nv-step Lanczos factorization */
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m = PetscMin(eps->nconv+eps->mpd,eps->ncv);
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carcamgo |
202 |
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jroman |
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ierr = EPSFullLanczos(eps,a+l,b+l,eps->V,eps->nconv+l,&m,u,&breakdown);CHKERRQ(ierr);
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nv = m - eps->nconv;
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beta = b[nv-1];
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carcamgo |
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/* Solve projected problem and compute residual norm estimates */
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jroman |
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ierr = EPSProjectedKSSym(eps,nv,l,a,b,eps->eigr+eps->nconv,Q,work,iwork);CHKERRQ(ierr);
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carcamgo |
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/* Residual */
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jroman |
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ierr = EPSKrylovConvergence(eps,PETSC_TRUE,PETSC_TRUE,eps->nconv,nv,PETSC_NULL,nv,Q,eps->V+eps->nconv,nv,beta,1.0,&k,PETSC_NULL);CHKERRQ(ierr);
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carcamgo |
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/* Check convergence */
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conv=k=j=0;
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for(i=0;i<nv;i++)if(eps->errest[eps->nconv+i] < eps->tol)conv++;
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for(i=0;i<nv;i++){
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if(eps->errest[eps->nconv+i] < eps->tol){
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iwork[j++]=i;
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}else iwork[conv+k++]=i;
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carcamgo |
218 |
}
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carcamgo |
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for(i=0;i<nv;i++){
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carcamgo |
220 |
a[i]=PetscRealPart(eps->eigr[eps->nconv+i]);
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b[i]=eps->errest[eps->nconv+i];
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}
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for(i=0;i<nv;i++){
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carcamgo |
224 |
eps->eigr[eps->nconv+i] = a[iwork[i]];
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carcamgo |
225 |
eps->errest[eps->nconv+i] = b[iwork[i]];
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carcamgo |
226 |
}
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carcamgo |
227 |
for( i=0;i<nv;i++){
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p=iwork[i];
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if(p!=i){
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j=i+1;
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while(iwork[j]!=i)j++;
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iwork[j]=p;iwork[i]=i;
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for(k=0;k<nv;k++){
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rtmp=Q[k+p*nv];Q[k+p*nv]=Q[k+i*nv];Q[k+i*nv]=rtmp;
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}
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}
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}
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k=eps->nconv+conv;
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carcamgo |
239 |
/* Checking values obtained for completing */
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count0=count1=0;
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for(i=0;i<k;i++){
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theta = PetscRealPart(eps->eigr[i]);
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lambda = sPres->value + 1/theta;
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if( ((sr->dir)*theta < 0) && ((sr->dir)*(lambda - sPres->ext[0]) > 0))count0++;
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if( ((sr->dir)*theta > 0) && ((sr->dir)*(sPres->ext[1] - lambda) > 0))count1++;
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}
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jroman |
247 |
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carcamgo |
248 |
/* Checks completion */
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carcamgo |
249 |
if( (!sch0||count0 >= sPres->nsch[0]) && (!sch1 ||count1 >= sPres->nsch[1]) ) {
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eps->reason = EPS_CONVERGED_TOL;
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}else {
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if(!complIterating && eps->its >= eps->max_it) eps->reason = EPS_DIVERGED_ITS;
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253 |
if(complIterating){
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if(--iterCompl <= 0) eps->reason = EPS_DIVERGED_ITS;
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carcamgo |
255 |
}else if (k >= eps->nev) {
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carcamgo |
256 |
n0 = sPres->nsch[0]-count0;
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n1 = sPres->nsch[1]-count1;
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if( sr->iterCompl>0 && ( (n0>0&& n0<= sr->nMAXCompl)||(n1>0&&n1<=sr->nMAXCompl) )){
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carcamgo |
259 |
/* Iterating for completion*/
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carcamgo |
260 |
complIterating = PETSC_TRUE;
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261 |
if(n0 >sr->nMAXCompl)sch0 = PETSC_FALSE;
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262 |
if(n1 >sr->nMAXCompl)sch1 = PETSC_FALSE;
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iterCompl = sr->iterCompl;
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}else eps->reason = EPS_CONVERGED_TOL;
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}
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}
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267 |
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jroman |
268 |
/* Update l */
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269 |
if (eps->reason != EPS_CONVERGED_ITERATING || breakdown) l = 0;
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else l = (eps->nconv+nv-k)/2;
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271 |
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272 |
if (eps->reason == EPS_CONVERGED_ITERATING) {
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273 |
if (breakdown) {
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274 |
/* Start a new Lanczos factorization */
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jroman |
275 |
ierr = PetscInfo2(eps,"Breakdown in Krylov-Schur method (it=%D norm=%G)\n",eps->its,beta);CHKERRQ(ierr);
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jroman |
276 |
ierr = EPSGetStartVector(eps,k,eps->V[k],&breakdown);CHKERRQ(ierr);
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277 |
if (breakdown) {
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278 |
eps->reason = EPS_DIVERGED_BREAKDOWN;
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jroman |
279 |
ierr = PetscInfo(eps,"Unable to generate more start vectors\n");CHKERRQ(ierr);
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jroman |
280 |
}
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281 |
} else {
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282 |
/* Prepare the Rayleigh quotient for restart */
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283 |
for (i=0;i<l;i++) {
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284 |
a[i] = PetscRealPart(eps->eigr[i+k]);
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285 |
b[i] = PetscRealPart(Q[nv-1+(i+k-eps->nconv)*nv]*beta);
|
|
|
286 |
}
|
|
|
287 |
}
|
|
|
288 |
}
|
|
|
289 |
/* Update the corresponding vectors V(:,idx) = V*Q(:,idx) */
|
|
|
290 |
ierr = SlepcUpdateVectors(nv,eps->V+eps->nconv,0,k+l-eps->nconv,Q,nv,PETSC_FALSE);CHKERRQ(ierr);
|
|
|
291 |
/* Normalize u and append it to V */
|
|
|
292 |
if (eps->reason == EPS_CONVERGED_ITERATING && !breakdown) {
|
|
|
293 |
ierr = VecAXPBY(eps->V[k+l],1.0/beta,0.0,u);CHKERRQ(ierr);
|
|
|
294 |
}
|
| 2599 |
carcamgo |
295 |
aux = auxc = 0;
|
|
|
296 |
for(i=0;i<nv+eps->nconv;i++){
|
|
|
297 |
theta = PetscRealPart(eps->eigr[i]);
|
|
|
298 |
lambda = sPres->value + 1/theta;
|
|
|
299 |
if( ((sr->dir)*(lambda - sPres->ext[0]) > 0)&& ((sr->dir)*(sPres->ext[1] - lambda) > 0)){
|
|
|
300 |
sr->monit[sr->indexEig+aux]=eps->eigr[i];
|
|
|
301 |
sr->errest[sr->indexEig+aux]=eps->errest[i];
|
|
|
302 |
aux++;
|
|
|
303 |
if(eps->errest[i] < eps->tol)auxc++;
|
|
|
304 |
}
|
|
|
305 |
}
|
|
|
306 |
ierr = EPSMonitor(eps,eps->its,auxc+sr->indexEig,sr->monit,sr->eigi,sr->errest,sr->indexEig+aux);CHKERRQ(ierr);
|
| 2404 |
jroman |
307 |
eps->nconv = k;
|
| 2459 |
carcamgo |
308 |
}
|
| 2596 |
carcamgo |
309 |
/* Check for completion */
|
|
|
310 |
for(i=0;i< eps->nconv; i++){
|
|
|
311 |
if( (sr->dir)*PetscRealPart(eps->eigr[i])>0 )sPres->nconv[1]++;
|
|
|
312 |
else sPres->nconv[0]++;
|
|
|
313 |
}
|
| 2468 |
eromero |
314 |
sPres->comp[0] = (count0 >= sPres->nsch[0])?PETSC_TRUE:PETSC_FALSE;
|
|
|
315 |
sPres->comp[1] = (count1 >= sPres->nsch[1])?PETSC_TRUE:PETSC_FALSE;
|
| 2404 |
jroman |
316 |
ierr = PetscFree(Q);CHKERRQ(ierr);
|
|
|
317 |
ierr = PetscFree(a);CHKERRQ(ierr);
|
|
|
318 |
ierr = PetscFree(b);CHKERRQ(ierr);
|
|
|
319 |
ierr = PetscFree(work);CHKERRQ(ierr);
|
|
|
320 |
ierr = PetscFree(iwork);CHKERRQ(ierr);
|
|
|
321 |
PetscFunctionReturn(0);
|
|
|
322 |
}
|
|
|
323 |
|
| 2459 |
carcamgo |
324 |
/*
|
| 2596 |
carcamgo |
325 |
Obtains value of subsequent shift
|
| 2459 |
carcamgo |
326 |
*/
|
|
|
327 |
#undef __FUNCT__
|
|
|
328 |
#define __FUNCT__ "EPSGetNewShiftValue"
|
|
|
329 |
static PetscErrorCode EPSGetNewShiftValue(EPS eps,PetscInt side,PetscReal *newS){
|
| 2596 |
carcamgo |
330 |
PetscReal lambda,d_prev;
|
| 2459 |
carcamgo |
331 |
PetscInt i,idxP;
|
|
|
332 |
SR sr;
|
|
|
333 |
shift sPres;
|
|
|
334 |
|
|
|
335 |
PetscFunctionBegin;
|
|
|
336 |
sr = (SR)eps->data;
|
|
|
337 |
sPres = sr->sPres;
|
| 2464 |
carcamgo |
338 |
if( sPres->neighb[side]){
|
| 2596 |
carcamgo |
339 |
/* Completing a previous interval */
|
|
|
340 |
if(!sPres->neighb[side]->neighb[side] && sPres->neighb[side]->nconv[side]==0){ /* One of the ends might be too far from eigenvalues */
|
|
|
341 |
if(side) *newS = (sPres->value + PetscRealPart(sr->eig[sr->perm[sr->indexEig-1]]))/2;
|
|
|
342 |
else *newS = (sPres->value + PetscRealPart(sr->eig[sr->perm[0]]))/2;
|
|
|
343 |
}else *newS=(sPres->value + sPres->neighb[side]->value)/2;
|
|
|
344 |
}else{ /* (Only for side=1). Creating a new interval. */
|
|
|
345 |
if(sPres->neigs==0){/* No value has been accepted*/
|
| 2464 |
carcamgo |
346 |
if(sPres->neighb[0]){
|
| 2596 |
carcamgo |
347 |
/* Multiplying by 10 the previous distance */
|
| 2465 |
jroman |
348 |
*newS = sPres->value + 10*(sr->dir)*PetscAbsReal(sPres->value - sPres->neighb[0]->value);
|
| 2596 |
carcamgo |
349 |
sr->nleap++;
|
|
|
350 |
/* Stops when the interval is open and no values are found in the last 5 shifts (there might be infinite eigenvalues) */
|
|
|
351 |
if( !sr->hasEnd && sr->nleap > 5)SETERRQ(((PetscObject)eps)->comm,1,"Unable to compute the wanted eigenvalues with open interval");
|
|
|
352 |
}else {/* First shift */
|
| 2459 |
carcamgo |
353 |
if(eps->nconv != 0){
|
| 2596 |
carcamgo |
354 |
/* Unaccepted values give information for next shift */
|
|
|
355 |
idxP=0;/* Number of values left from shift */
|
| 2459 |
carcamgo |
356 |
for(i=0;i<eps->nconv;i++){
|
|
|
357 |
lambda = PetscRealPart(eps->eigr[i]);
|
|
|
358 |
if( (sr->dir)*(lambda - sPres->value) <0)idxP++;
|
|
|
359 |
else break;
|
|
|
360 |
}
|
| 2596 |
carcamgo |
361 |
/* Avoiding subtraction of eigenvalues (might be the same).*/
|
| 2459 |
carcamgo |
362 |
if(idxP>0){
|
| 2465 |
jroman |
363 |
d_prev = PetscAbsReal(sPres->value - PetscRealPart(eps->eigr[0]))/(idxP+0.3);
|
| 2459 |
carcamgo |
364 |
}else {
|
| 2465 |
jroman |
365 |
d_prev = PetscAbsReal(sPres->value - PetscRealPart(eps->eigr[eps->nconv-1]))/(eps->nconv+0.3);
|
| 2459 |
carcamgo |
366 |
}
|
|
|
367 |
*newS = sPres->value + ((sr->dir)*d_prev*eps->nev)/2;
|
| 2596 |
carcamgo |
368 |
}else{/* No values found, no information for next shift */
|
|
|
369 |
SETERRQ(((PetscObject)eps)->comm,1,"First shift renders no information");
|
| 2459 |
carcamgo |
370 |
}
|
|
|
371 |
}
|
| 2596 |
carcamgo |
372 |
}else{/* Accepted values found */
|
|
|
373 |
sr->nleap = 0;
|
|
|
374 |
/* Average distance of values in previous subinterval */
|
| 2459 |
carcamgo |
375 |
shift s = sPres->neighb[0];
|
| 2464 |
carcamgo |
376 |
while(s && PetscAbs(s->inertia - sPres->inertia)==0){
|
| 2596 |
carcamgo |
377 |
s = s->neighb[0];/* Looking for previous shifts with eigenvalues within */
|
| 2459 |
carcamgo |
378 |
}
|
| 2464 |
carcamgo |
379 |
if(s){
|
| 2465 |
jroman |
380 |
d_prev = PetscAbsReal( (sPres->value - s->value)/(sPres->inertia - s->inertia));
|
| 2596 |
carcamgo |
381 |
}else{/* First shift. Average distance obtained with values in this shift */
|
|
|
382 |
/* first shift might be too far from first wanted eigenvalue (no values found outside the interval)*/
|
| 2609 |
carcamgo |
383 |
if( (sr->dir)*(PetscRealPart(sr->eig[0])-sPres->value)>0 && PetscAbsReal( (PetscRealPart(sr->eig[sr->indexEig-1]) - PetscRealPart(sr->eig[0]))/PetscRealPart(sr->eig[0])) > PetscSqrtReal(eps->tol) ){
|
| 2596 |
carcamgo |
384 |
d_prev = PetscAbsReal( (PetscRealPart(sr->eig[sr->indexEig-1]) - PetscRealPart(sr->eig[0])))/(sPres->neigs+0.3);
|
|
|
385 |
}else{
|
|
|
386 |
d_prev = PetscAbsReal( PetscRealPart(sr->eig[sr->indexEig-1]) - sPres->value)/(sPres->neigs+0.3);
|
|
|
387 |
}
|
| 2459 |
carcamgo |
388 |
}
|
| 2596 |
carcamgo |
389 |
/* Average distance is used for next shift by adding it to value on the right or to shift */
|
| 2465 |
jroman |
390 |
if( (sr->dir)*(PetscRealPart(sr->eig[sPres->index + sPres->neigs -1]) - sPres->value) >0){
|
|
|
391 |
*newS = PetscRealPart(sr->eig[sPres->index + sPres->neigs -1])+ ((sr->dir)*d_prev*(eps->nev))/2;
|
| 2596 |
carcamgo |
392 |
}else{/* Last accepted value is on the left of shift. Adding to shift */
|
| 2459 |
carcamgo |
393 |
*newS = sPres->value + ((sr->dir)*d_prev*(eps->nev))/2;
|
|
|
394 |
}
|
|
|
395 |
}
|
| 2596 |
carcamgo |
396 |
/* End of interval can not be surpassed */
|
|
|
397 |
if((sr->dir)*( sr->int1 - *newS) < 0) *newS = sr->int1;
|
| 2609 |
carcamgo |
398 |
}/* of neighb[side]==null */
|
| 2459 |
carcamgo |
399 |
PetscFunctionReturn(0);
|
|
|
400 |
}
|
|
|
401 |
|
|
|
402 |
/*
|
| 2596 |
carcamgo |
403 |
Function for sorting an array of real values
|
| 2459 |
carcamgo |
404 |
*/
|
|
|
405 |
#undef __FUNCT__
|
|
|
406 |
#define __FUNCT__ "sortRealEigenvalues"
|
|
|
407 |
static PetscErrorCode sortRealEigenvalues(PetscScalar *r,PetscInt *perm,PetscInt nr,PetscBool prev,PetscInt dir)
|
|
|
408 |
{
|
|
|
409 |
PetscReal re;
|
|
|
410 |
PetscInt i,j,tmp;
|
|
|
411 |
|
|
|
412 |
PetscFunctionBegin;
|
| 2464 |
carcamgo |
413 |
if(!prev) for (i=0; i < nr; i++) { perm[i] = i; }
|
| 2596 |
carcamgo |
414 |
/* Insertion sort */
|
| 2459 |
carcamgo |
415 |
for (i=1; i < nr; i++) {
|
|
|
416 |
re = PetscRealPart(r[perm[i]]);
|
|
|
417 |
j = i-1;
|
|
|
418 |
while ( j>=0 && dir*(re - PetscRealPart(r[perm[j]])) <= 0 ) {
|
|
|
419 |
tmp = perm[j]; perm[j] = perm[j+1]; perm[j+1] = tmp; j--;
|
|
|
420 |
}
|
|
|
421 |
}
|
|
|
422 |
PetscFunctionReturn(0);
|
|
|
423 |
}
|
|
|
424 |
|
|
|
425 |
/* Stores the pairs obtained since the last shift in the global arrays */
|
|
|
426 |
#undef __FUNCT__
|
|
|
427 |
#define __FUNCT__ "EPSStoreEigenpairs"
|
|
|
428 |
PetscErrorCode EPSStoreEigenpairs(EPS eps)
|
|
|
429 |
{
|
|
|
430 |
PetscErrorCode ierr;
|
| 2596 |
carcamgo |
431 |
PetscReal lambda,err,norm;
|
| 2459 |
carcamgo |
432 |
PetscInt i,count;
|
|
|
433 |
PetscBool cond;
|
|
|
434 |
SR sr;
|
|
|
435 |
shift sPres;
|
|
|
436 |
|
|
|
437 |
PetscFunctionBegin;
|
|
|
438 |
sr = (SR)(eps->data);
|
|
|
439 |
sPres = sr->sPres;
|
|
|
440 |
sPres->index = sr->indexEig;
|
|
|
441 |
count = sr->indexEig;
|
| 2596 |
carcamgo |
442 |
/* Backtransform */
|
| 2459 |
carcamgo |
443 |
for(i=0;i < eps->nconv; i++) eps->eigr[i] = sPres->value + 1.0/(eps->eigr[i]);
|
| 2596 |
carcamgo |
444 |
/* Sort eigenvalues */
|
| 2459 |
carcamgo |
445 |
ierr = sortRealEigenvalues(eps->eigr,eps->perm,eps->nconv,PETSC_FALSE,sr->dir);
|
| 2596 |
carcamgo |
446 |
/* Values stored in global array */
|
|
|
447 |
/* Condition for avoiding comparing with a non-existing end */
|
| 2468 |
eromero |
448 |
cond = (!sPres->neighb[1] && !sr->hasEnd)?PETSC_TRUE:PETSC_FALSE;
|
| 2459 |
carcamgo |
449 |
for( i=0; i < eps->nconv ;i++ ){
|
|
|
450 |
lambda = PetscRealPart(eps->eigr[eps->perm[i]]);
|
| 2596 |
carcamgo |
451 |
err = eps->errest[eps->perm[i]];
|
|
|
452 |
if( (sr->dir)*(lambda - sPres->ext[0]) > 0 && (sr->dir)*(sPres->ext[1] - lambda) > 0 ){/* Valid value */
|
|
|
453 |
if(count>=sr->numEigs){/* Error found */
|
| 2609 |
carcamgo |
454 |
SETERRQ(((PetscObject)eps)->comm,1,"Unexpected error in Spectrum Slicing");
|
| 2464 |
carcamgo |
455 |
}
|
| 2459 |
carcamgo |
456 |
sr->eig[count] = lambda;
|
| 2596 |
carcamgo |
457 |
sr->errest[count] = err;
|
|
|
458 |
/* Purification */
|
| 2609 |
carcamgo |
459 |
if (eps->isgeneralized){
|
|
|
460 |
ierr = STApply(eps->OP,eps->V[eps->perm[i]],sr->V[count]);CHKERRQ(ierr);
|
|
|
461 |
ierr = IPNorm(eps->ip,sr->V[count],&norm);CHKERRQ(ierr);
|
|
|
462 |
ierr = VecScale(sr->V[count],1.0/norm);CHKERRQ(ierr);
|
|
|
463 |
}else{
|
|
|
464 |
ierr = VecCopy(eps->V[eps->perm[i]], sr->V[count]);CHKERRQ(ierr);
|
|
|
465 |
}
|
| 2459 |
carcamgo |
466 |
count++;
|
| 2596 |
carcamgo |
467 |
}
|
| 2459 |
carcamgo |
468 |
}
|
|
|
469 |
sPres->neigs = count - sr->indexEig;
|
|
|
470 |
sr->indexEig = count;
|
| 2596 |
carcamgo |
471 |
/* Global ordering array updating */
|
| 2459 |
carcamgo |
472 |
ierr = sortRealEigenvalues(sr->eig,sr->perm,count,PETSC_TRUE,sr->dir);CHKERRQ(ierr);
|
|
|
473 |
PetscFunctionReturn(0);
|
|
|
474 |
}
|
|
|
475 |
|
|
|
476 |
#undef __FUNCT__
|
|
|
477 |
#define __FUNCT__ "EPSLookForDeflation"
|
|
|
478 |
PetscErrorCode EPSLookForDeflation(EPS eps)
|
|
|
479 |
{
|
| 2596 |
carcamgo |
480 |
PetscReal val;
|
| 2459 |
carcamgo |
481 |
PetscInt i,count0=0,count1=0;
|
|
|
482 |
shift sPres;
|
| 2596 |
carcamgo |
483 |
PetscInt ini,fin,k,idx0,idx1;
|
| 2459 |
carcamgo |
484 |
SR sr;
|
|
|
485 |
|
|
|
486 |
PetscFunctionBegin;
|
|
|
487 |
sr = (SR)(eps->data);
|
|
|
488 |
sPres = sr->sPres;
|
|
|
489 |
|
| 2464 |
carcamgo |
490 |
if(sPres->neighb[0]) ini = (sr->dir)*(sPres->neighb[0]->inertia - sr->inertia0);
|
| 2459 |
carcamgo |
491 |
else ini = 0;
|
|
|
492 |
fin = sr->indexEig;
|
| 2596 |
carcamgo |
493 |
/* Selection of ends for searching new values */
|
|
|
494 |
if(!sPres->neighb[0]) sPres->ext[0] = sr->int0;/* First shift */
|
| 2459 |
carcamgo |
495 |
else sPres->ext[0] = sPres->neighb[0]->value;
|
| 2464 |
carcamgo |
496 |
if(!sPres->neighb[1]) {
|
| 2459 |
carcamgo |
497 |
if(sr->hasEnd) sPres->ext[1] = sr->int1;
|
|
|
498 |
else sPres->ext[1] = (sr->dir > 0)?PETSC_MAX_REAL:PETSC_MIN_REAL;
|
|
|
499 |
}else sPres->ext[1] = sPres->neighb[1]->value;
|
| 2596 |
carcamgo |
500 |
/* Selection of values between right and left ends */
|
| 2459 |
carcamgo |
501 |
for(i=ini;i<fin;i++){
|
|
|
502 |
val=PetscRealPart(sr->eig[sr->perm[i]]);
|
| 2596 |
carcamgo |
503 |
/* Values to the right of left shift */
|
| 2459 |
carcamgo |
504 |
if( (sr->dir)*(val - sPres->ext[1]) < 0 ){
|
|
|
505 |
if((sr->dir)*(val - sPres->value) < 0)count0++;
|
|
|
506 |
else count1++;
|
|
|
507 |
}else break;
|
|
|
508 |
}
|
| 2596 |
carcamgo |
509 |
/* The number of values on each side are found */
|
| 2464 |
carcamgo |
510 |
if(sPres->neighb[0])
|
| 2459 |
carcamgo |
511 |
sPres->nsch[0] = (sr->dir)*(sPres->inertia - sPres->neighb[0]->inertia)-count0;
|
|
|
512 |
else sPres->nsch[0] = 0;
|
|
|
513 |
|
| 2464 |
carcamgo |
514 |
if(sPres->neighb[1])
|
| 2459 |
carcamgo |
515 |
sPres->nsch[1] = (sr->dir)*(sPres->neighb[1]->inertia - sPres->inertia) - count1;
|
|
|
516 |
else sPres->nsch[1] = (sr->dir)*(sr->inertia1 - sPres->inertia);
|
|
|
517 |
|
| 2596 |
carcamgo |
518 |
/* Completing vector of indexes for deflation */
|
|
|
519 |
idx0 = ini;
|
|
|
520 |
idx1 = ini+count0+count1;
|
| 2459 |
carcamgo |
521 |
k=0;
|
|
|
522 |
for(i=idx0;i<idx1;i++)sr->idxDef[k++]=sr->perm[i];
|
|
|
523 |
for(i=0;i<k;i++)sr->VDef[i]=sr->V[sr->idxDef[i]];
|
|
|
524 |
eps->DS = sr->VDef;
|
|
|
525 |
eps->nds = k;
|
|
|
526 |
PetscFunctionReturn(0);
|
|
|
527 |
}
|
|
|
528 |
|
|
|
529 |
#undef __FUNCT__
|
|
|
530 |
#define __FUNCT__ "EPSSolve_KrylovSchur_Slice"
|
|
|
531 |
PetscErrorCode EPSSolve_KrylovSchur_Slice(EPS eps)
|
|
|
532 |
{
|
|
|
533 |
PetscErrorCode ierr;
|
| 2596 |
carcamgo |
534 |
PetscInt i;
|
| 2459 |
carcamgo |
535 |
PetscReal newS;
|
|
|
536 |
KSP ksp;
|
|
|
537 |
PC pc;
|
| 2596 |
carcamgo |
538 |
Mat F;
|
|
|
539 |
PetscReal *errest_left;
|
|
|
540 |
Vec t;
|
| 2459 |
carcamgo |
541 |
SR sr;
|
|
|
542 |
|
|
|
543 |
PetscFunctionBegin;
|
| 2464 |
carcamgo |
544 |
ierr = PetscMalloc(sizeof(struct _n_SR),&sr);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
545 |
eps->data = sr;
|
| 2596 |
carcamgo |
546 |
sr->itsKs = 0;
|
|
|
547 |
sr->nleap = 0;
|
|
|
548 |
sr->nMAXCompl = eps->nev/4;
|
|
|
549 |
sr->iterCompl = eps->max_it/4;
|
|
|
550 |
/* Checking presence of ends and finding direction */
|
| 2459 |
carcamgo |
551 |
if( eps->inta > PETSC_MIN_REAL){
|
|
|
552 |
sr->int0 = eps->inta;
|
|
|
553 |
sr->int1 = eps->intb;
|
|
|
554 |
sr->dir = 1;
|
| 2596 |
carcamgo |
555 |
if(eps->intb >= PETSC_MAX_REAL){ /* Right-open interval */
|
| 2459 |
carcamgo |
556 |
sr->hasEnd = PETSC_FALSE;
|
|
|
557 |
sr->inertia1 = eps->n;
|
|
|
558 |
}else sr->hasEnd = PETSC_TRUE;
|
| 2596 |
carcamgo |
559 |
}else{ /* Left-open interval */
|
| 2459 |
carcamgo |
560 |
sr->int0 = eps->intb;
|
|
|
561 |
sr->int1 = eps->inta;
|
|
|
562 |
sr->dir = -1;
|
|
|
563 |
sr->hasEnd = PETSC_FALSE;
|
|
|
564 |
sr->inertia1 = 0;
|
|
|
565 |
}
|
| 2596 |
carcamgo |
566 |
/* Array of pending shifts */
|
|
|
567 |
sr->maxPend = 100;/* Initial size */
|
| 2459 |
carcamgo |
568 |
ierr = PetscMalloc((sr->maxPend)*sizeof(shift),&sr->pending);CHKERRQ(ierr);
|
|
|
569 |
if(sr->hasEnd){
|
|
|
570 |
ierr = STGetKSP(eps->OP, &ksp);CHKERRQ(ierr);
|
|
|
571 |
ierr = KSPGetPC(ksp, &pc);CHKERRQ(ierr);
|
|
|
572 |
ierr = PCFactorGetMatrix(pc,&F);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
573 |
/* Not looking for values in b (just inertia).*/
|
| 2459 |
carcamgo |
574 |
ierr = MatGetInertia(F,&sr->inertia1,PETSC_NULL,PETSC_NULL);CHKERRQ(ierr);
|
|
|
575 |
}
|
|
|
576 |
sr->nPend = 0;
|
|
|
577 |
ierr = EPSCreateShift(eps,sr->int0,PETSC_NULL,PETSC_NULL);CHKERRQ(ierr);
|
|
|
578 |
ierr = EPSExtractShift(eps);
|
|
|
579 |
sr->s0 = sr->sPres;
|
|
|
580 |
sr->inertia0 = sr->s0->inertia;
|
|
|
581 |
sr->numEigs = (sr->dir)*(sr->inertia1 - sr->inertia0);
|
|
|
582 |
sr->indexEig = 0;
|
| 2596 |
carcamgo |
583 |
/* Only with eigenvalues present in the interval ...*/
|
| 2464 |
carcamgo |
584 |
if(sr->numEigs==0){
|
|
|
585 |
eps->reason = EPS_CONVERGED_TOL;
|
| 2596 |
carcamgo |
586 |
ierr = PetscFree(sr->s0);CHKERRQ(ierr);
|
|
|
587 |
ierr = PetscFree(sr->pending);CHKERRQ(ierr);
|
|
|
588 |
ierr = PetscFree(sr);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
589 |
PetscFunctionReturn(0);
|
|
|
590 |
}
|
| 2459 |
carcamgo |
591 |
|
| 2596 |
carcamgo |
592 |
/* Memory reservation for eig, V and perm */
|
| 2464 |
carcamgo |
593 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscScalar),&sr->eig);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
594 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscScalar),&sr->eigi);CHKERRQ(ierr);
|
| 2599 |
carcamgo |
595 |
ierr = PetscMalloc((sr->numEigs+eps->ncv) *sizeof(PetscReal),&sr->errest);CHKERRQ(ierr);
|
|
|
596 |
ierr = PetscMalloc((sr->numEigs+eps->ncv)*sizeof(PetscReal),&errest_left);CHKERRQ(ierr);
|
| 2609 |
carcamgo |
597 |
ierr = PetscMalloc((sr->numEigs+eps->ncv)*sizeof(PetscScalar),&sr->monit);CHKERRQ(ierr);
|
| 2599 |
carcamgo |
598 |
for(i=0;i<sr->numEigs;i++){sr->eigi[i]=0;sr->eig[i] = 0;}
|
|
|
599 |
for(i=0;i<sr->numEigs+eps->ncv;i++){errest_left[i]=0;sr->errest[i]=0;sr->monit[i]=0;}
|
| 2464 |
carcamgo |
600 |
ierr = VecCreateMPI(((PetscObject)eps)->comm,eps->nloc,PETSC_DECIDE,&t);CHKERRQ(ierr);
|
|
|
601 |
ierr = VecDuplicateVecs(t,sr->numEigs,&sr->V);CHKERRQ(ierr);
|
|
|
602 |
ierr = VecDestroy(&t);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
603 |
/* Vector for maintaining order of eigenvalues */
|
| 2464 |
carcamgo |
604 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscInt),&sr->perm);CHKERRQ(ierr);
|
|
|
605 |
for(i=0;i< sr->numEigs;i++)sr->perm[i]=i;
|
| 2596 |
carcamgo |
606 |
/* Vectors for deflation */
|
|
|
607 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscInt),&sr->idxDef);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
608 |
ierr = PetscMalloc((sr->numEigs)*sizeof(Vec),&sr->VDef);CHKERRQ(ierr);
|
|
|
609 |
sr->indexEig = 0;
|
| 2459 |
carcamgo |
610 |
|
| 2464 |
carcamgo |
611 |
while(sr->sPres){
|
| 2596 |
carcamgo |
612 |
/* Search for deflation */
|
| 2464 |
carcamgo |
613 |
ierr = EPSLookForDeflation(eps);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
614 |
/* KrylovSchur */
|
| 2464 |
carcamgo |
615 |
ierr = EPSKrylovSchur_Slice(eps);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
616 |
|
| 2464 |
carcamgo |
617 |
ierr = EPSStoreEigenpairs(eps);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
618 |
/* Select new shift */
|
| 2468 |
eromero |
619 |
if(!sr->sPres->comp[1]){
|
| 2464 |
carcamgo |
620 |
ierr = EPSGetNewShiftValue(eps,1,&newS);CHKERRQ(ierr);
|
|
|
621 |
ierr = EPSCreateShift(eps,newS,sr->sPres,sr->sPres->neighb[1]);
|
|
|
622 |
}
|
| 2468 |
eromero |
623 |
if(!sr->sPres->comp[0]){
|
| 2596 |
carcamgo |
624 |
/* Completing earlier interval */
|
| 2464 |
carcamgo |
625 |
ierr = EPSGetNewShiftValue(eps,0,&newS);CHKERRQ(ierr);
|
|
|
626 |
ierr = EPSCreateShift(eps,newS,sr->sPres->neighb[0],sr->sPres);
|
|
|
627 |
}
|
| 2596 |
carcamgo |
628 |
/* Preparing for a new search of values */
|
| 2464 |
carcamgo |
629 |
ierr = EPSExtractShift(eps);CHKERRQ(ierr);
|
|
|
630 |
}
|
| 2596 |
carcamgo |
631 |
|
|
|
632 |
/* Updating eps values prior to exit */
|
| 2464 |
carcamgo |
633 |
ierr = VecDestroyVecs(eps->allocated_ncv,&eps->V);CHKERRQ(ierr);
|
|
|
634 |
eps->V = sr->V;
|
|
|
635 |
ierr = PetscFree(eps->eigr);CHKERRQ(ierr);
|
|
|
636 |
ierr = PetscFree(eps->eigi);CHKERRQ(ierr);
|
|
|
637 |
ierr = PetscFree(eps->errest);CHKERRQ(ierr);
|
|
|
638 |
ierr = PetscFree(eps->errest_left);CHKERRQ(ierr);
|
|
|
639 |
ierr = PetscFree(eps->perm);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
640 |
eps->eigr = sr->eig;
|
|
|
641 |
eps->eigi = sr->eigi;
|
|
|
642 |
eps->errest = sr->errest;
|
|
|
643 |
eps->errest_left = errest_left;
|
| 2464 |
carcamgo |
644 |
eps->perm = sr->perm;
|
| 2596 |
carcamgo |
645 |
eps->ncv = eps->allocated_ncv = sr->numEigs;
|
| 2464 |
carcamgo |
646 |
eps->nconv = sr->indexEig;
|
|
|
647 |
eps->reason = EPS_CONVERGED_TOL;
|
| 2596 |
carcamgo |
648 |
eps->its = sr->itsKs;
|
| 2464 |
carcamgo |
649 |
eps->nds = 0;
|
|
|
650 |
eps->DS = PETSC_NULL;
|
| 2596 |
carcamgo |
651 |
eps->evecsavailable = PETSC_TRUE;
|
| 2464 |
carcamgo |
652 |
ierr = PetscFree(sr->VDef);CHKERRQ(ierr);
|
|
|
653 |
ierr = PetscFree(sr->idxDef);CHKERRQ(ierr);
|
|
|
654 |
ierr = PetscFree(sr->pending);CHKERRQ(ierr);
|
| 2599 |
carcamgo |
655 |
ierr = PetscFree(sr->monit);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
656 |
/* Reviewing list of shifts to free memory */
|
| 2464 |
carcamgo |
657 |
shift s = sr->s0;
|
|
|
658 |
if(s){
|
|
|
659 |
while(s->neighb[1]){
|
|
|
660 |
s = s->neighb[1];
|
|
|
661 |
ierr = PetscFree(s->neighb[0]);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
662 |
}
|
| 2464 |
carcamgo |
663 |
ierr = PetscFree(s);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
664 |
}
|
| 2464 |
carcamgo |
665 |
ierr = PetscFree(sr);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
666 |
PetscFunctionReturn(0);
|
| 2599 |
carcamgo |
667 |
}
|