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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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jroman |
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[2] C. Campos and J. E. Roman, "Spectrum slicing strategies based on
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restarted Lanczos methods", Numer. Algor., 2012.
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DOI: 10.1007/s11075-012-9564-z
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jroman |
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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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jroman |
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#include <slepc-private/epsimpl.h> /*I "slepceps.h" I*/
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jroman |
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#include <slepcblaslapack.h>
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carcamgo |
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#include <slepc-private/psimpl.h>
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jroman |
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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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carcamgo |
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typedef struct _n_shift *shift;
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carcamgo |
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struct _n_shift{
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carcamgo |
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PetscReal value;
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PetscInt inertia;
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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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PetscBool expf;
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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,*back;
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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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PetscScalar *S;/* Matrix for projected problem */
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PetscInt nS;
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PetscReal beta;
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shift sPrev;
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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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carcamgo |
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PetscInt iner,dir,i,k,ld;
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PetscScalar *A;
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carcamgo |
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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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carcamgo |
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sr->sPrev = sr->sPres;
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carcamgo |
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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->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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sr->sPres->expf = PETSC_FALSE;
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/* For rational Krylov */
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if(sr->nS >0 && (sr->sPrev == sr->sPres->neighb[0] || sr->sPrev == sr->sPres->neighb[1]) ){
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carcamgo |
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ierr = PSGetLeadingDimension(eps->ps,&ld);CHKERRQ(ierr);
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carcamgo |
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dir = (sr->sPres->neighb[0] == sr->sPrev)?1:-1;
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dir*=sr->dir;
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k = 0;
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for(i=0;i<sr->nS;i++){
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jroman |
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if(dir*PetscRealPart(sr->S[i])>0.0){
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carcamgo |
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sr->S[k] = sr->S[i];
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sr->S[sr->nS+k] = sr->S[sr->nS+i];
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ierr = VecCopy(eps->V[eps->nconv+i],eps->V[k++]);CHKERRQ(ierr);
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if(k>=sr->nS/2)break;
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}
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}
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carcamgo |
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/* Copy to PS */
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ierr = PSGetArray(eps->ps,PS_MAT_A,&A);CHKERRQ(ierr);
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ierr = PetscMemzero(A,ld*ld*sizeof(PetscScalar));
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for(i=0;i<k;i++){
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A[i*(1+ld)] = sr->S[i];
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A[k+i*ld] = sr->S[sr->nS+i];
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}
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carcamgo |
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sr->nS = k;
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carcamgo |
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ierr = PSRestoreArray(eps->ps,PS_MAT_A,&A);CHKERRQ(ierr);
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ierr = PSSetDimensions(eps->ps,ld,0,k);CHKERRQ(ierr);
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carcamgo |
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/* Normalize u and append it to V */
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ierr = VecAXPBY(eps->V[sr->nS],1.0/sr->beta,0.0,eps->work[0]);CHKERRQ(ierr);
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}
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eps->nconv = 0;
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}else sr->sPres = PETSC_NULL;
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PetscFunctionReturn(0);
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carcamgo |
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}
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carcamgo |
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#undef __FUNCT__
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#define __FUNCT__ "EPSUpdateShiftRKS"
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carcamgo |
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static PetscErrorCode EPSUpdateShiftRKS(PS ps,PetscReal sigma1,PetscReal sigma2)
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carcamgo |
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{
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jroman |
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#if defined(PETSC_MISSING_LAPACK_GEQRF) || defined(SLEPC_MISSING_LAPACK_ORGQR)
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jroman |
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PetscFunctionBegin;
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SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"GEQRF/ORGQR - Lapack routine is unavailable.");
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#else
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carcamgo |
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PetscErrorCode ierr;
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carcamgo |
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PetscInt i,j,l,ld;
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PetscScalar *Q,*A,*tau,*R,*work,alpha;
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PetscBLASInt n1,n0,ld_,lwork,info;
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carcamgo |
197 |
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PetscFunctionBegin;
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carcamgo |
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ierr = PSGetDimensions(ps,PETSC_NULL,PETSC_NULL,&l);
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ierr = PSGetLeadingDimension(ps,&ld);CHKERRQ(ierr);
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ierr = PSAllocateWork_Private(ps,ld*ld,0,0);CHKERRQ(ierr);
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tau = ps->work;
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work = tau + ld;
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lwork = PetscBLASIntCast(ld*(ld-1));
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ierr = PSAllocateMat_Private(ps,PS_MAT_W);CHKERRQ(ierr);
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ierr = PSGetArray(ps,PS_MAT_W,&R);CHKERRQ(ierr);
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ierr = PSGetArray(ps,PS_MAT_A,&A);CHKERRQ(ierr);
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ierr = PSGetArray(ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
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ierr = PetscMemzero(Q,ld*ld*sizeof(PetscScalar));CHKERRQ(ierr);
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ierr = PetscMemzero(R,ld*ld*sizeof(PetscScalar));CHKERRQ(ierr);
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for (i=0;i<l;i++){
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Q[i+i*ld] = 1.0+(sigma1-sigma2)*A[i+i*ld];
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Q[l+i*ld] = (sigma1-sigma2)*A[l+i*ld];
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}
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carcamgo |
216 |
/* Compute qr */
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carcamgo |
217 |
ld_ = PetscBLASIntCast(ld);
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n1 = PetscBLASIntCast(l+1);
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n0 = PetscBLASIntCast(l);
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jroman |
220 |
ierr = PetscFPTrapPush(PETSC_FP_TRAP_OFF);CHKERRQ(ierr);
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carcamgo |
221 |
LAPACKgeqrf_(&n1,&n0,Q,&ld_,tau,work,&lwork,&info);
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carcamgo |
222 |
if (info) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"Error in Lapack xGEQRF %d",info);
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carcamgo |
223 |
/* Copying R from Q */
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224 |
for (j=0;j<l;j++)
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carcamgo |
225 |
for(i=0;i<=j;i++)
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carcamgo |
226 |
R[i+j*ld]=Q[i+j*ld];
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227 |
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228 |
/* Compute the orthogonal matrix in Q */
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LAPACKorgqr_(&n1,&n1,&n0,Q,&ld_,tau,work,&lwork,&info);
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carcamgo |
230 |
if (info) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"Error in Lapack xORGQR %d",info);
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jroman |
231 |
ierr = PetscFPTrapPop();CHKERRQ(ierr);
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carcamgo |
232 |
/* Compute the updated matrix of projected problem */
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carcamgo |
233 |
for(j=0;j<l;j++){
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234 |
for(i=0;i<l+1;i++)
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A[j*ld+i]=Q[i*ld+j];
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carcamgo |
236 |
}
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237 |
alpha = -1.0/(sigma1-sigma2);
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carcamgo |
238 |
BLAStrsm_("R","U","N","N",&n1,&n0,&alpha,R,&ld_,A,&ld_);
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239 |
for(i=0;i<l;i++)
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A[ld*i+i]-=alpha;
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241 |
ierr = PSRestoreArray(ps,PS_MAT_A,&A);CHKERRQ(ierr);
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242 |
ierr = PSRestoreArray(ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
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243 |
ierr = PSRestoreArray(ps,PS_MAT_W,&R);CHKERRQ(ierr);
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244 |
ierr = PSSetState(eps->ps,PS_STATE_RAW);CHKERRQ(ierr);
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carcamgo |
245 |
PetscFunctionReturn(0);
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jroman |
246 |
#endif
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carcamgo |
247 |
}
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248 |
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| 2459 |
carcamgo |
249 |
/*
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| 2464 |
carcamgo |
250 |
Symmetric KrylovSchur adapted to spectrum slicing:
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| 2596 |
carcamgo |
251 |
Allows searching an specific amount of eigenvalues in the subintervals left and right.
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252 |
Returns whether the search has succeeded
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carcamgo |
253 |
*/
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254 |
#undef __FUNCT__
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255 |
#define __FUNCT__ "EPSKrylovSchur_Slice"
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256 |
static PetscErrorCode EPSKrylovSchur_Slice(EPS eps)
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257 |
{
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jroman |
258 |
PetscErrorCode ierr;
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| 2805 |
carcamgo |
259 |
PetscInt i,conv,k,l,ld,nv,m,*iwork,p,j;
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jroman |
260 |
Vec u=eps->work[0];
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carcamgo |
261 |
PetscScalar *Q,*A,nu,rtmp,alpha;
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262 |
PetscReal *a,*b,beta;
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| 2404 |
jroman |
263 |
PetscBool breakdown;
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| 2596 |
carcamgo |
264 |
PetscInt count0,count1;
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| 2709 |
carcamgo |
265 |
PetscReal lambda;
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| 2459 |
carcamgo |
266 |
shift sPres;
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| 2708 |
carcamgo |
267 |
PetscBool complIterating,iscayley;
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268 |
PetscBool sch0,sch1;
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| 2599 |
carcamgo |
269 |
PetscInt iterCompl=0,n0,n1,aux,auxc;
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| 2459 |
carcamgo |
270 |
SR sr;
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271 |
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jroman |
272 |
PetscFunctionBegin;
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| 2596 |
carcamgo |
273 |
/* Spectrum slicing data */
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| 2459 |
carcamgo |
274 |
sr = (SR)eps->data;
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275 |
sPres = sr->sPres;
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276 |
complIterating =PETSC_FALSE;
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277 |
sch1 = sch0 = PETSC_TRUE;
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| 2805 |
carcamgo |
278 |
ierr = PSGetLeadingDimension(eps->ps,&ld);CHKERRQ(ierr);
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|
279 |
ierr = PetscMalloc(2*ld*sizeof(PetscInt),&iwork);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
280 |
count0=0;count1=0; /* Found on both sides */
|
| 2708 |
carcamgo |
281 |
/* filling in values for the monitor */
|
| 2633 |
carcamgo |
282 |
if(eps->numbermonitors >0){
|
|
|
283 |
ierr = PetscTypeCompare((PetscObject)eps->OP,STCAYLEY,&iscayley);CHKERRQ(ierr);
|
|
|
284 |
if(iscayley){
|
|
|
285 |
ierr = STCayleyGetAntishift(eps->OP,&nu);CHKERRQ(ierr);
|
|
|
286 |
for(i=0;i<sr->indexEig;i++){
|
|
|
287 |
sr->monit[i]=(nu + sr->eig[i])/(sr->eig[i] - sPres->value);
|
|
|
288 |
}
|
|
|
289 |
}else{
|
|
|
290 |
for(i=0;i<sr->indexEig;i++){
|
|
|
291 |
sr->monit[i]=1.0/(sr->eig[i] - sPres->value);
|
|
|
292 |
}
|
| 2629 |
carcamgo |
293 |
}
|
|
|
294 |
}
|
| 2708 |
carcamgo |
295 |
if(sr->nS > 0 && (sPres->neighb[0] == sr->sPrev || sPres->neighb[1] == sr->sPrev) ){
|
|
|
296 |
/* Rational Krylov */
|
| 2805 |
carcamgo |
297 |
ierr = EPSUpdateShiftRKS(eps->ps,sr->sPrev->value,sPres->value);CHKERRQ(ierr);
|
|
|
298 |
/* Update vectors */
|
|
|
299 |
ierr = PSGetArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
|
|
300 |
ierr = PSGetDimensions(eps->ps,PETSC_NULL,PETSC_NULL,&l);CHKERRQ(ierr);
|
|
|
301 |
ierr = SlepcUpdateVectors(l+1,eps->V,0,l+1,Q,ld,PETSC_FALSE);CHKERRQ(ierr);
|
|
|
302 |
ierr = PSRestoreArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
| 2708 |
carcamgo |
303 |
}else{
|
|
|
304 |
/* Get the starting Lanczos vector */
|
|
|
305 |
ierr = EPSGetStartVector(eps,0,eps->V[0],PETSC_NULL);CHKERRQ(ierr);
|
|
|
306 |
l = 0;
|
|
|
307 |
}
|
| 2404 |
jroman |
308 |
/* Restart loop */
|
|
|
309 |
while (eps->reason == EPS_CONVERGED_ITERATING) {
|
| 2596 |
carcamgo |
310 |
eps->its++; sr->itsKs++;
|
| 2404 |
jroman |
311 |
/* Compute an nv-step Lanczos factorization */
|
|
|
312 |
m = PetscMin(eps->nconv+eps->mpd,eps->ncv);
|
| 2805 |
carcamgo |
313 |
ierr = PSGetArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
314 |
b = a + ld;
|
| 2404 |
jroman |
315 |
ierr = EPSFullLanczos(eps,a+l,b+l,eps->V,eps->nconv+l,&m,u,&breakdown);CHKERRQ(ierr);
|
| 2708 |
carcamgo |
316 |
if(breakdown){/* explicit purification*/
|
|
|
317 |
sPres->expf = PETSC_TRUE;
|
|
|
318 |
}
|
| 2404 |
jroman |
319 |
nv = m - eps->nconv;
|
|
|
320 |
beta = b[nv-1];
|
| 2805 |
carcamgo |
321 |
ierr = PSRestoreArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
322 |
ierr = PSSetDimensions(eps->ps,nv,0,l);CHKERRQ(ierr);
|
|
|
323 |
if (l==0) {
|
|
|
324 |
ierr = PSSetState(eps->ps,PS_STATE_INTERMEDIATE);CHKERRQ(ierr);
|
|
|
325 |
} else {
|
|
|
326 |
ierr = PSSetState(eps->ps,PS_STATE_RAW);CHKERRQ(ierr);
|
|
|
327 |
}
|
|
|
328 |
|
| 2459 |
carcamgo |
329 |
/* Solve projected problem and compute residual norm estimates */
|
| 2708 |
carcamgo |
330 |
if(eps->its == 1 && l > 0){/* After rational update */
|
| 2805 |
carcamgo |
331 |
ierr = PSGetArray(eps->ps,PS_MAT_A,&A);CHKERRQ(ierr);
|
|
|
332 |
ierr = PSGetArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
333 |
b = a + ld;
|
|
|
334 |
A[l*ld+l-1] = A[(l-1)*ld+l];
|
|
|
335 |
A[l*ld+l] = a[l];
|
|
|
336 |
for(j=l+1; j< nv; j++){
|
|
|
337 |
A[j*ld+j] = a[j];
|
|
|
338 |
A[j*ld+j-1] = b[j-1] ;
|
|
|
339 |
A[(j-1)*ld+j] = b[j-1];
|
|
|
340 |
}
|
|
|
341 |
ierr = PSRestoreArray(eps->ps,PS_MAT_A,&A);CHKERRQ(ierr);
|
|
|
342 |
ierr = PSRestoreArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
343 |
ierr = PSSetCompact(eps->ps,PETSC_FALSE);CHKERRQ(ierr);
|
|
|
344 |
ierr = PSSolve(eps->ps,eps->eigr+eps->nconv,PETSC_NULL);CHKERRQ(ierr);
|
|
|
345 |
ierr = PSSetCompact(eps->ps,PETSC_TRUE);CHKERRQ(ierr);
|
| 2708 |
carcamgo |
346 |
}else{/* Restart */
|
| 2805 |
carcamgo |
347 |
ierr = PSSetCompact(eps->ps,PETSC_TRUE);CHKERRQ(ierr);
|
|
|
348 |
ierr = PSSolve(eps->ps,eps->eigr+eps->nconv,PETSC_NULL);CHKERRQ(ierr);
|
| 2708 |
carcamgo |
349 |
}
|
| 2805 |
carcamgo |
350 |
ierr = PSSort(eps->ps,eps->eigr+eps->nconv,PETSC_NULL,eps->which_func,eps->which_ctx);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
351 |
/* Residual */
|
| 2805 |
carcamgo |
352 |
ierr = PSGetArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
|
|
353 |
ierr = EPSKrylovConvergence(eps,PETSC_TRUE,PETSC_TRUE,eps->nconv,nv,PETSC_NULL,ld,Q,ld,eps->V+eps->nconv,nv,beta,1.0,&k,PETSC_NULL);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
354 |
/* Check convergence */
|
| 2805 |
carcamgo |
355 |
ierr = PSGetArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
356 |
b = a + ld;
|
| 2596 |
carcamgo |
357 |
conv=k=j=0;
|
|
|
358 |
for(i=0;i<nv;i++)if(eps->errest[eps->nconv+i] < eps->tol)conv++;
|
|
|
359 |
for(i=0;i<nv;i++){
|
|
|
360 |
if(eps->errest[eps->nconv+i] < eps->tol){
|
|
|
361 |
iwork[j++]=i;
|
|
|
362 |
}else iwork[conv+k++]=i;
|
| 2459 |
carcamgo |
363 |
}
|
| 2596 |
carcamgo |
364 |
for(i=0;i<nv;i++){
|
| 2599 |
carcamgo |
365 |
a[i]=PetscRealPart(eps->eigr[eps->nconv+i]);
|
|
|
366 |
b[i]=eps->errest[eps->nconv+i];
|
|
|
367 |
}
|
|
|
368 |
for(i=0;i<nv;i++){
|
| 2596 |
carcamgo |
369 |
eps->eigr[eps->nconv+i] = a[iwork[i]];
|
| 2599 |
carcamgo |
370 |
eps->errest[eps->nconv+i] = b[iwork[i]];
|
| 2459 |
carcamgo |
371 |
}
|
| 2596 |
carcamgo |
372 |
for( i=0;i<nv;i++){
|
|
|
373 |
p=iwork[i];
|
| 2805 |
carcamgo |
374 |
if(p!=i){
|
|
|
375 |
j=i+1;
|
|
|
376 |
while(iwork[j]!=i)j++;
|
|
|
377 |
iwork[j]=p;iwork[i]=i;
|
|
|
378 |
for(k=0;k<nv;k++){
|
|
|
379 |
rtmp=Q[k+p*ld];Q[k+p*ld]=Q[k+i*ld];Q[k+i*ld]=rtmp;
|
|
|
380 |
}
|
|
|
381 |
}
|
|
|
382 |
}
|
|
|
383 |
k=eps->nconv+conv;
|
|
|
384 |
ierr = PSRestoreArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
|
|
385 |
ierr = PSRestoreArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
386 |
|
| 2459 |
carcamgo |
387 |
/* Checking values obtained for completing */
|
| 2629 |
carcamgo |
388 |
for(i=0;i<k;i++){
|
|
|
389 |
sr->back[i]=eps->eigr[i];
|
|
|
390 |
}
|
|
|
391 |
ierr = STBackTransform(eps->OP,k,sr->back,eps->eigi);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
392 |
count0=count1=0;
|
| 2805 |
carcamgo |
393 |
for(i=0;i<k;i++){
|
| 2640 |
carcamgo |
394 |
lambda = PetscRealPart(sr->back[i]);
|
| 2709 |
carcamgo |
395 |
if( ((sr->dir)*(sPres->value - lambda) > 0) && ((sr->dir)*(lambda - sPres->ext[0]) > 0))count0++;
|
|
|
396 |
if( ((sr->dir)*(lambda - sPres->value) > 0) && ((sr->dir)*(sPres->ext[1] - lambda) > 0))count1++;
|
| 2459 |
carcamgo |
397 |
}
|
| 2404 |
jroman |
398 |
|
| 2596 |
carcamgo |
399 |
/* Checks completion */
|
| 2459 |
carcamgo |
400 |
if( (!sch0||count0 >= sPres->nsch[0]) && (!sch1 ||count1 >= sPres->nsch[1]) ) {
|
|
|
401 |
eps->reason = EPS_CONVERGED_TOL;
|
|
|
402 |
}else {
|
|
|
403 |
if(!complIterating && eps->its >= eps->max_it) eps->reason = EPS_DIVERGED_ITS;
|
|
|
404 |
if(complIterating){
|
|
|
405 |
if(--iterCompl <= 0) eps->reason = EPS_DIVERGED_ITS;
|
| 2596 |
carcamgo |
406 |
}else if (k >= eps->nev) {
|
| 2459 |
carcamgo |
407 |
n0 = sPres->nsch[0]-count0;
|
|
|
408 |
n1 = sPres->nsch[1]-count1;
|
| 2708 |
carcamgo |
409 |
if( sr->iterCompl>0 && ( (n0>0 && n0<= sr->nMAXCompl)||(n1>0&&n1<=sr->nMAXCompl) )){
|
| 2596 |
carcamgo |
410 |
/* Iterating for completion*/
|
| 2459 |
carcamgo |
411 |
complIterating = PETSC_TRUE;
|
|
|
412 |
if(n0 >sr->nMAXCompl)sch0 = PETSC_FALSE;
|
|
|
413 |
if(n1 >sr->nMAXCompl)sch1 = PETSC_FALSE;
|
|
|
414 |
iterCompl = sr->iterCompl;
|
|
|
415 |
}else eps->reason = EPS_CONVERGED_TOL;
|
|
|
416 |
}
|
|
|
417 |
}
|
| 2404 |
jroman |
418 |
/* Update l */
|
| 2708 |
carcamgo |
419 |
if(eps->reason == EPS_CONVERGED_ITERATING )l = (eps->nconv+nv-k)/2;
|
|
|
420 |
else l=eps->nconv+nv-k;
|
|
|
421 |
if(breakdown)l=0;
|
| 2404 |
jroman |
422 |
|
|
|
423 |
if (eps->reason == EPS_CONVERGED_ITERATING) {
|
|
|
424 |
if (breakdown) {
|
|
|
425 |
/* Start a new Lanczos factorization */
|
| 2499 |
jroman |
426 |
ierr = PetscInfo2(eps,"Breakdown in Krylov-Schur method (it=%D norm=%G)\n",eps->its,beta);CHKERRQ(ierr);
|
| 2404 |
jroman |
427 |
ierr = EPSGetStartVector(eps,k,eps->V[k],&breakdown);CHKERRQ(ierr);
|
|
|
428 |
if (breakdown) {
|
|
|
429 |
eps->reason = EPS_DIVERGED_BREAKDOWN;
|
| 2499 |
jroman |
430 |
ierr = PetscInfo(eps,"Unable to generate more start vectors\n");CHKERRQ(ierr);
|
| 2404 |
jroman |
431 |
}
|
|
|
432 |
} else {
|
|
|
433 |
/* Prepare the Rayleigh quotient for restart */
|
| 2805 |
carcamgo |
434 |
ierr = PSGetArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
435 |
ierr = PSGetArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
|
|
436 |
b = a + ld;
|
| 2404 |
jroman |
437 |
for (i=0;i<l;i++) {
|
|
|
438 |
a[i] = PetscRealPart(eps->eigr[i+k]);
|
| 2805 |
carcamgo |
439 |
b[i] = PetscRealPart(Q[nv-1+(i+k-eps->nconv)*ld]*beta);
|
| 2404 |
jroman |
440 |
}
|
| 2805 |
carcamgo |
441 |
ierr = PSRestoreArrayReal(eps->ps,PS_MAT_T,&a);CHKERRQ(ierr);
|
|
|
442 |
ierr = PSRestoreArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
| 2404 |
jroman |
443 |
}
|
|
|
444 |
}
|
|
|
445 |
/* Update the corresponding vectors V(:,idx) = V*Q(:,idx) */
|
| 2805 |
carcamgo |
446 |
ierr = PSGetArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
|
|
447 |
ierr = SlepcUpdateVectors(nv,eps->V+eps->nconv,0,k+l-eps->nconv,Q,ld,PETSC_FALSE);CHKERRQ(ierr);
|
| 2708 |
carcamgo |
448 |
/* Purification */
|
|
|
449 |
if(!sPres->expf){/* u not saved if breakdown */
|
|
|
450 |
for(i=eps->nconv; i<k;i++){
|
| 2805 |
carcamgo |
451 |
alpha = (Q[nv-1+(i-eps->nconv)*ld])/PetscRealPart(eps->eigr[i]);
|
| 2708 |
carcamgo |
452 |
ierr = VecAXPY(eps->V[i], alpha, u);CHKERRQ(ierr);
|
|
|
453 |
}
|
|
|
454 |
}
|
| 2805 |
carcamgo |
455 |
ierr = PSRestoreArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
| 2404 |
jroman |
456 |
/* Normalize u and append it to V */
|
| 2708 |
carcamgo |
457 |
if ( eps->reason == EPS_CONVERGED_ITERATING && !breakdown) {
|
| 2404 |
jroman |
458 |
ierr = VecAXPBY(eps->V[k+l],1.0/beta,0.0,u);CHKERRQ(ierr);
|
|
|
459 |
}
|
| 2708 |
carcamgo |
460 |
/* Monitor */
|
| 2629 |
carcamgo |
461 |
if(eps->numbermonitors >0){
|
|
|
462 |
aux = auxc = 0;
|
|
|
463 |
for(i=0;i<nv+eps->nconv;i++){
|
|
|
464 |
sr->back[i]=eps->eigr[i];
|
| 2599 |
carcamgo |
465 |
}
|
| 2629 |
carcamgo |
466 |
ierr = STBackTransform(eps->OP,nv+eps->nconv,sr->back,eps->eigi);CHKERRQ(ierr);
|
|
|
467 |
for(i=0;i<nv+eps->nconv;i++){
|
| 2640 |
carcamgo |
468 |
lambda = PetscRealPart(sr->back[i]);
|
| 2629 |
carcamgo |
469 |
if( ((sr->dir)*(lambda - sPres->ext[0]) > 0)&& ((sr->dir)*(sPres->ext[1] - lambda) > 0)){
|
|
|
470 |
sr->monit[sr->indexEig+aux]=eps->eigr[i];
|
|
|
471 |
sr->errest[sr->indexEig+aux]=eps->errest[i];
|
|
|
472 |
aux++;
|
|
|
473 |
if(eps->errest[i] < eps->tol)auxc++;
|
|
|
474 |
}
|
|
|
475 |
}
|
|
|
476 |
ierr = EPSMonitor(eps,eps->its,auxc+sr->indexEig,sr->monit,sr->eigi,sr->errest,sr->indexEig+aux);CHKERRQ(ierr);
|
| 2599 |
carcamgo |
477 |
}
|
| 2708 |
carcamgo |
478 |
conv = k - eps->nconv;
|
| 2404 |
jroman |
479 |
eps->nconv = k;
|
| 2708 |
carcamgo |
480 |
if(eps->reason != EPS_CONVERGED_ITERATING){
|
|
|
481 |
/* Store approximated values for next shift */
|
| 2805 |
carcamgo |
482 |
ierr = PSGetArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
| 2708 |
carcamgo |
483 |
sr->nS = l;
|
|
|
484 |
for (i=0;i<l;i++) {
|
|
|
485 |
sr->S[i] = eps->eigr[i+k];/* Diagonal elements */
|
| 2805 |
carcamgo |
486 |
sr->S[i+l] = Q[nv-1+(i+conv)*ld]*beta; /* Out of diagonal elements */
|
| 2708 |
carcamgo |
487 |
}
|
|
|
488 |
sr->beta = beta;
|
| 2805 |
carcamgo |
489 |
ierr = PSRestoreArray(eps->ps,PS_MAT_Q,&Q);CHKERRQ(ierr);
|
| 2708 |
carcamgo |
490 |
}
|
| 2459 |
carcamgo |
491 |
}
|
| 2596 |
carcamgo |
492 |
/* Check for completion */
|
|
|
493 |
for(i=0;i< eps->nconv; i++){
|
|
|
494 |
if( (sr->dir)*PetscRealPart(eps->eigr[i])>0 )sPres->nconv[1]++;
|
|
|
495 |
else sPres->nconv[0]++;
|
|
|
496 |
}
|
| 2468 |
eromero |
497 |
sPres->comp[0] = (count0 >= sPres->nsch[0])?PETSC_TRUE:PETSC_FALSE;
|
|
|
498 |
sPres->comp[1] = (count1 >= sPres->nsch[1])?PETSC_TRUE:PETSC_FALSE;
|
| 2701 |
carcamgo |
499 |
if(count0 > sPres->nsch[0] || count1 > sPres->nsch[1])SETERRQ(((PetscObject)eps)->comm,1,"Unexpected error in Spectrum Slicing!\nMismatch between number of values found and information from inertia");
|
| 2805 |
carcamgo |
500 |
ierr = PetscFree(iwork);CHKERRQ(ierr);
|
| 2404 |
jroman |
501 |
PetscFunctionReturn(0);
|
|
|
502 |
}
|
|
|
503 |
|
| 2459 |
carcamgo |
504 |
/*
|
| 2596 |
carcamgo |
505 |
Obtains value of subsequent shift
|
| 2459 |
carcamgo |
506 |
*/
|
|
|
507 |
#undef __FUNCT__
|
|
|
508 |
#define __FUNCT__ "EPSGetNewShiftValue"
|
| 2708 |
carcamgo |
509 |
static PetscErrorCode EPSGetNewShiftValue(EPS eps,PetscInt side,PetscReal *newS)
|
|
|
510 |
{
|
| 2596 |
carcamgo |
511 |
PetscReal lambda,d_prev;
|
| 2459 |
carcamgo |
512 |
PetscInt i,idxP;
|
|
|
513 |
SR sr;
|
| 2666 |
eromero |
514 |
shift sPres,s;
|
| 2459 |
carcamgo |
515 |
|
|
|
516 |
PetscFunctionBegin;
|
|
|
517 |
sr = (SR)eps->data;
|
|
|
518 |
sPres = sr->sPres;
|
| 2464 |
carcamgo |
519 |
if( sPres->neighb[side]){
|
| 2596 |
carcamgo |
520 |
/* Completing a previous interval */
|
|
|
521 |
if(!sPres->neighb[side]->neighb[side] && sPres->neighb[side]->nconv[side]==0){ /* One of the ends might be too far from eigenvalues */
|
|
|
522 |
if(side) *newS = (sPres->value + PetscRealPart(sr->eig[sr->perm[sr->indexEig-1]]))/2;
|
|
|
523 |
else *newS = (sPres->value + PetscRealPart(sr->eig[sr->perm[0]]))/2;
|
|
|
524 |
}else *newS=(sPres->value + sPres->neighb[side]->value)/2;
|
|
|
525 |
}else{ /* (Only for side=1). Creating a new interval. */
|
|
|
526 |
if(sPres->neigs==0){/* No value has been accepted*/
|
| 2464 |
carcamgo |
527 |
if(sPres->neighb[0]){
|
| 2596 |
carcamgo |
528 |
/* Multiplying by 10 the previous distance */
|
| 2465 |
jroman |
529 |
*newS = sPres->value + 10*(sr->dir)*PetscAbsReal(sPres->value - sPres->neighb[0]->value);
|
| 2596 |
carcamgo |
530 |
sr->nleap++;
|
|
|
531 |
/* Stops when the interval is open and no values are found in the last 5 shifts (there might be infinite eigenvalues) */
|
|
|
532 |
if( !sr->hasEnd && sr->nleap > 5)SETERRQ(((PetscObject)eps)->comm,1,"Unable to compute the wanted eigenvalues with open interval");
|
|
|
533 |
}else {/* First shift */
|
| 2459 |
carcamgo |
534 |
if(eps->nconv != 0){
|
| 2596 |
carcamgo |
535 |
/* Unaccepted values give information for next shift */
|
|
|
536 |
idxP=0;/* Number of values left from shift */
|
| 2459 |
carcamgo |
537 |
for(i=0;i<eps->nconv;i++){
|
|
|
538 |
lambda = PetscRealPart(eps->eigr[i]);
|
|
|
539 |
if( (sr->dir)*(lambda - sPres->value) <0)idxP++;
|
|
|
540 |
else break;
|
|
|
541 |
}
|
| 2596 |
carcamgo |
542 |
/* Avoiding subtraction of eigenvalues (might be the same).*/
|
| 2459 |
carcamgo |
543 |
if(idxP>0){
|
| 2465 |
jroman |
544 |
d_prev = PetscAbsReal(sPres->value - PetscRealPart(eps->eigr[0]))/(idxP+0.3);
|
| 2459 |
carcamgo |
545 |
}else {
|
| 2465 |
jroman |
546 |
d_prev = PetscAbsReal(sPres->value - PetscRealPart(eps->eigr[eps->nconv-1]))/(eps->nconv+0.3);
|
| 2459 |
carcamgo |
547 |
}
|
|
|
548 |
*newS = sPres->value + ((sr->dir)*d_prev*eps->nev)/2;
|
| 2596 |
carcamgo |
549 |
}else{/* No values found, no information for next shift */
|
|
|
550 |
SETERRQ(((PetscObject)eps)->comm,1,"First shift renders no information");
|
| 2459 |
carcamgo |
551 |
}
|
|
|
552 |
}
|
| 2596 |
carcamgo |
553 |
}else{/* Accepted values found */
|
|
|
554 |
sr->nleap = 0;
|
|
|
555 |
/* Average distance of values in previous subinterval */
|
| 2666 |
eromero |
556 |
s = sPres->neighb[0];
|
| 2464 |
carcamgo |
557 |
while(s && PetscAbs(s->inertia - sPres->inertia)==0){
|
| 2596 |
carcamgo |
558 |
s = s->neighb[0];/* Looking for previous shifts with eigenvalues within */
|
| 2459 |
carcamgo |
559 |
}
|
| 2464 |
carcamgo |
560 |
if(s){
|
| 2465 |
jroman |
561 |
d_prev = PetscAbsReal( (sPres->value - s->value)/(sPres->inertia - s->inertia));
|
| 2596 |
carcamgo |
562 |
}else{/* First shift. Average distance obtained with values in this shift */
|
|
|
563 |
/* first shift might be too far from first wanted eigenvalue (no values found outside the interval)*/
|
| 2609 |
carcamgo |
564 |
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 |
565 |
d_prev = PetscAbsReal( (PetscRealPart(sr->eig[sr->indexEig-1]) - PetscRealPart(sr->eig[0])))/(sPres->neigs+0.3);
|
|
|
566 |
}else{
|
|
|
567 |
d_prev = PetscAbsReal( PetscRealPart(sr->eig[sr->indexEig-1]) - sPres->value)/(sPres->neigs+0.3);
|
|
|
568 |
}
|
| 2459 |
carcamgo |
569 |
}
|
| 2596 |
carcamgo |
570 |
/* Average distance is used for next shift by adding it to value on the right or to shift */
|
| 2465 |
jroman |
571 |
if( (sr->dir)*(PetscRealPart(sr->eig[sPres->index + sPres->neigs -1]) - sPres->value) >0){
|
|
|
572 |
*newS = PetscRealPart(sr->eig[sPres->index + sPres->neigs -1])+ ((sr->dir)*d_prev*(eps->nev))/2;
|
| 2596 |
carcamgo |
573 |
}else{/* Last accepted value is on the left of shift. Adding to shift */
|
| 2459 |
carcamgo |
574 |
*newS = sPres->value + ((sr->dir)*d_prev*(eps->nev))/2;
|
|
|
575 |
}
|
|
|
576 |
}
|
| 2596 |
carcamgo |
577 |
/* End of interval can not be surpassed */
|
|
|
578 |
if((sr->dir)*( sr->int1 - *newS) < 0) *newS = sr->int1;
|
| 2609 |
carcamgo |
579 |
}/* of neighb[side]==null */
|
| 2459 |
carcamgo |
580 |
PetscFunctionReturn(0);
|
|
|
581 |
}
|
|
|
582 |
|
|
|
583 |
/*
|
| 2596 |
carcamgo |
584 |
Function for sorting an array of real values
|
| 2459 |
carcamgo |
585 |
*/
|
|
|
586 |
#undef __FUNCT__
|
|
|
587 |
#define __FUNCT__ "sortRealEigenvalues"
|
|
|
588 |
static PetscErrorCode sortRealEigenvalues(PetscScalar *r,PetscInt *perm,PetscInt nr,PetscBool prev,PetscInt dir)
|
|
|
589 |
{
|
|
|
590 |
PetscReal re;
|
|
|
591 |
PetscInt i,j,tmp;
|
|
|
592 |
|
|
|
593 |
PetscFunctionBegin;
|
| 2464 |
carcamgo |
594 |
if(!prev) for (i=0; i < nr; i++) { perm[i] = i; }
|
| 2596 |
carcamgo |
595 |
/* Insertion sort */
|
| 2459 |
carcamgo |
596 |
for (i=1; i < nr; i++) {
|
|
|
597 |
re = PetscRealPart(r[perm[i]]);
|
|
|
598 |
j = i-1;
|
|
|
599 |
while ( j>=0 && dir*(re - PetscRealPart(r[perm[j]])) <= 0 ) {
|
|
|
600 |
tmp = perm[j]; perm[j] = perm[j+1]; perm[j+1] = tmp; j--;
|
|
|
601 |
}
|
|
|
602 |
}
|
|
|
603 |
PetscFunctionReturn(0);
|
|
|
604 |
}
|
|
|
605 |
|
|
|
606 |
/* Stores the pairs obtained since the last shift in the global arrays */
|
|
|
607 |
#undef __FUNCT__
|
|
|
608 |
#define __FUNCT__ "EPSStoreEigenpairs"
|
|
|
609 |
PetscErrorCode EPSStoreEigenpairs(EPS eps)
|
|
|
610 |
{
|
|
|
611 |
PetscErrorCode ierr;
|
| 2596 |
carcamgo |
612 |
PetscReal lambda,err,norm;
|
| 2459 |
carcamgo |
613 |
PetscInt i,count;
|
| 2641 |
jroman |
614 |
PetscBool iscayley;
|
| 2459 |
carcamgo |
615 |
SR sr;
|
|
|
616 |
shift sPres;
|
|
|
617 |
|
|
|
618 |
PetscFunctionBegin;
|
|
|
619 |
sr = (SR)(eps->data);
|
|
|
620 |
sPres = sr->sPres;
|
|
|
621 |
sPres->index = sr->indexEig;
|
|
|
622 |
count = sr->indexEig;
|
| 2708 |
carcamgo |
623 |
/* Back-transform */
|
| 2629 |
carcamgo |
624 |
ierr = EPSBackTransform_Default(eps);CHKERRQ(ierr);
|
|
|
625 |
ierr = PetscTypeCompare((PetscObject)eps->OP,STCAYLEY,&iscayley);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
626 |
/* Sort eigenvalues */
|
| 2459 |
carcamgo |
627 |
ierr = sortRealEigenvalues(eps->eigr,eps->perm,eps->nconv,PETSC_FALSE,sr->dir);
|
| 2596 |
carcamgo |
628 |
/* Values stored in global array */
|
| 2459 |
carcamgo |
629 |
for( i=0; i < eps->nconv ;i++ ){
|
|
|
630 |
lambda = PetscRealPart(eps->eigr[eps->perm[i]]);
|
| 2596 |
carcamgo |
631 |
err = eps->errest[eps->perm[i]];
|
| 2708 |
carcamgo |
632 |
|
| 2596 |
carcamgo |
633 |
if( (sr->dir)*(lambda - sPres->ext[0]) > 0 && (sr->dir)*(sPres->ext[1] - lambda) > 0 ){/* Valid value */
|
|
|
634 |
if(count>=sr->numEigs){/* Error found */
|
| 2629 |
carcamgo |
635 |
SETERRQ(((PetscObject)eps)->comm,1,"Unexpected error in Spectrum Slicing!");
|
|
|
636 |
}
|
| 2459 |
carcamgo |
637 |
sr->eig[count] = lambda;
|
| 2596 |
carcamgo |
638 |
sr->errest[count] = err;
|
| 2708 |
carcamgo |
639 |
/* Unlikely explicit purification */
|
|
|
640 |
if (sPres->expf && eps->isgeneralized && !iscayley){
|
| 2609 |
carcamgo |
641 |
ierr = STApply(eps->OP,eps->V[eps->perm[i]],sr->V[count]);CHKERRQ(ierr);
|
|
|
642 |
ierr = IPNorm(eps->ip,sr->V[count],&norm);CHKERRQ(ierr);
|
|
|
643 |
ierr = VecScale(sr->V[count],1.0/norm);CHKERRQ(ierr);
|
|
|
644 |
}else{
|
|
|
645 |
ierr = VecCopy(eps->V[eps->perm[i]], sr->V[count]);CHKERRQ(ierr);
|
|
|
646 |
}
|
| 2459 |
carcamgo |
647 |
count++;
|
| 2596 |
carcamgo |
648 |
}
|
| 2459 |
carcamgo |
649 |
}
|
|
|
650 |
sPres->neigs = count - sr->indexEig;
|
|
|
651 |
sr->indexEig = count;
|
| 2596 |
carcamgo |
652 |
/* Global ordering array updating */
|
| 2459 |
carcamgo |
653 |
ierr = sortRealEigenvalues(sr->eig,sr->perm,count,PETSC_TRUE,sr->dir);CHKERRQ(ierr);
|
|
|
654 |
PetscFunctionReturn(0);
|
|
|
655 |
}
|
|
|
656 |
|
|
|
657 |
#undef __FUNCT__
|
|
|
658 |
#define __FUNCT__ "EPSLookForDeflation"
|
|
|
659 |
PetscErrorCode EPSLookForDeflation(EPS eps)
|
|
|
660 |
{
|
| 2596 |
carcamgo |
661 |
PetscReal val;
|
| 2459 |
carcamgo |
662 |
PetscInt i,count0=0,count1=0;
|
|
|
663 |
shift sPres;
|
| 2596 |
carcamgo |
664 |
PetscInt ini,fin,k,idx0,idx1;
|
| 2459 |
carcamgo |
665 |
SR sr;
|
|
|
666 |
|
|
|
667 |
PetscFunctionBegin;
|
|
|
668 |
sr = (SR)(eps->data);
|
|
|
669 |
sPres = sr->sPres;
|
|
|
670 |
|
| 2464 |
carcamgo |
671 |
if(sPres->neighb[0]) ini = (sr->dir)*(sPres->neighb[0]->inertia - sr->inertia0);
|
| 2459 |
carcamgo |
672 |
else ini = 0;
|
|
|
673 |
fin = sr->indexEig;
|
| 2596 |
carcamgo |
674 |
/* Selection of ends for searching new values */
|
|
|
675 |
if(!sPres->neighb[0]) sPres->ext[0] = sr->int0;/* First shift */
|
| 2459 |
carcamgo |
676 |
else sPres->ext[0] = sPres->neighb[0]->value;
|
| 2464 |
carcamgo |
677 |
if(!sPres->neighb[1]) {
|
| 2459 |
carcamgo |
678 |
if(sr->hasEnd) sPres->ext[1] = sr->int1;
|
|
|
679 |
else sPres->ext[1] = (sr->dir > 0)?PETSC_MAX_REAL:PETSC_MIN_REAL;
|
|
|
680 |
}else sPres->ext[1] = sPres->neighb[1]->value;
|
| 2596 |
carcamgo |
681 |
/* Selection of values between right and left ends */
|
| 2459 |
carcamgo |
682 |
for(i=ini;i<fin;i++){
|
|
|
683 |
val=PetscRealPart(sr->eig[sr->perm[i]]);
|
| 2596 |
carcamgo |
684 |
/* Values to the right of left shift */
|
| 2459 |
carcamgo |
685 |
if( (sr->dir)*(val - sPres->ext[1]) < 0 ){
|
|
|
686 |
if((sr->dir)*(val - sPres->value) < 0)count0++;
|
|
|
687 |
else count1++;
|
|
|
688 |
}else break;
|
|
|
689 |
}
|
| 2596 |
carcamgo |
690 |
/* The number of values on each side are found */
|
| 2629 |
carcamgo |
691 |
if(sPres->neighb[0]){
|
| 2459 |
carcamgo |
692 |
sPres->nsch[0] = (sr->dir)*(sPres->inertia - sPres->neighb[0]->inertia)-count0;
|
| 2629 |
carcamgo |
693 |
if(sPres->nsch[0]<0)SETERRQ(((PetscObject)eps)->comm,1,"Unexpected error in Spectrum Slicing!\nMismatch between number of values found and information from inertia");
|
|
|
694 |
}else sPres->nsch[0] = 0;
|
| 2459 |
carcamgo |
695 |
|
| 2629 |
carcamgo |
696 |
if(sPres->neighb[1]){
|
| 2459 |
carcamgo |
697 |
sPres->nsch[1] = (sr->dir)*(sPres->neighb[1]->inertia - sPres->inertia) - count1;
|
| 2629 |
carcamgo |
698 |
if(sPres->nsch[1]<0)SETERRQ(((PetscObject)eps)->comm,1,"Unexpected error in Spectrum Slicing!\nMismatch between number of values found and information from inertia");
|
|
|
699 |
}else sPres->nsch[1] = (sr->dir)*(sr->inertia1 - sPres->inertia);
|
| 2708 |
carcamgo |
700 |
|
| 2596 |
carcamgo |
701 |
/* Completing vector of indexes for deflation */
|
|
|
702 |
idx0 = ini;
|
|
|
703 |
idx1 = ini+count0+count1;
|
| 2459 |
carcamgo |
704 |
k=0;
|
|
|
705 |
for(i=idx0;i<idx1;i++)sr->idxDef[k++]=sr->perm[i];
|
|
|
706 |
for(i=0;i<k;i++)sr->VDef[i]=sr->V[sr->idxDef[i]];
|
|
|
707 |
eps->DS = sr->VDef;
|
|
|
708 |
eps->nds = k;
|
|
|
709 |
PetscFunctionReturn(0);
|
|
|
710 |
}
|
|
|
711 |
|
|
|
712 |
#undef __FUNCT__
|
|
|
713 |
#define __FUNCT__ "EPSSolve_KrylovSchur_Slice"
|
|
|
714 |
PetscErrorCode EPSSolve_KrylovSchur_Slice(EPS eps)
|
|
|
715 |
{
|
|
|
716 |
PetscErrorCode ierr;
|
| 2708 |
carcamgo |
717 |
PetscInt i,lds;
|
| 2459 |
carcamgo |
718 |
PetscReal newS;
|
|
|
719 |
KSP ksp;
|
|
|
720 |
PC pc;
|
| 2596 |
carcamgo |
721 |
Mat F;
|
|
|
722 |
PetscReal *errest_left;
|
|
|
723 |
Vec t;
|
| 2459 |
carcamgo |
724 |
SR sr;
|
| 2713 |
jroman |
725 |
shift s;
|
| 2459 |
carcamgo |
726 |
|
|
|
727 |
PetscFunctionBegin;
|
| 2629 |
carcamgo |
728 |
#if defined(PETSC_USE_COMPLEX)
|
|
|
729 |
SETERRQ(((PetscObject)eps)->comm,PETSC_ERR_SUP,"Spectrum slicing not supported in complex scalars");
|
|
|
730 |
#endif
|
| 2464 |
carcamgo |
731 |
ierr = PetscMalloc(sizeof(struct _n_SR),&sr);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
732 |
eps->data = sr;
|
| 2596 |
carcamgo |
733 |
sr->itsKs = 0;
|
|
|
734 |
sr->nleap = 0;
|
|
|
735 |
sr->nMAXCompl = eps->nev/4;
|
|
|
736 |
sr->iterCompl = eps->max_it/4;
|
| 2708 |
carcamgo |
737 |
sr->sPres = PETSC_NULL;
|
|
|
738 |
sr->nS = 0;
|
|
|
739 |
lds = PetscMin(eps->mpd,eps->ncv);
|
| 2596 |
carcamgo |
740 |
/* Checking presence of ends and finding direction */
|
| 2459 |
carcamgo |
741 |
if( eps->inta > PETSC_MIN_REAL){
|
|
|
742 |
sr->int0 = eps->inta;
|
|
|
743 |
sr->int1 = eps->intb;
|
|
|
744 |
sr->dir = 1;
|
| 2596 |
carcamgo |
745 |
if(eps->intb >= PETSC_MAX_REAL){ /* Right-open interval */
|
| 2459 |
carcamgo |
746 |
sr->hasEnd = PETSC_FALSE;
|
|
|
747 |
sr->inertia1 = eps->n;
|
|
|
748 |
}else sr->hasEnd = PETSC_TRUE;
|
| 2596 |
carcamgo |
749 |
}else{ /* Left-open interval */
|
| 2459 |
carcamgo |
750 |
sr->int0 = eps->intb;
|
|
|
751 |
sr->int1 = eps->inta;
|
|
|
752 |
sr->dir = -1;
|
|
|
753 |
sr->hasEnd = PETSC_FALSE;
|
|
|
754 |
sr->inertia1 = 0;
|
|
|
755 |
}
|
| 2596 |
carcamgo |
756 |
/* Array of pending shifts */
|
|
|
757 |
sr->maxPend = 100;/* Initial size */
|
| 2459 |
carcamgo |
758 |
ierr = PetscMalloc((sr->maxPend)*sizeof(shift),&sr->pending);CHKERRQ(ierr);
|
|
|
759 |
if(sr->hasEnd){
|
|
|
760 |
ierr = STGetKSP(eps->OP, &ksp);CHKERRQ(ierr);
|
|
|
761 |
ierr = KSPGetPC(ksp, &pc);CHKERRQ(ierr);
|
|
|
762 |
ierr = PCFactorGetMatrix(pc,&F);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
763 |
/* Not looking for values in b (just inertia).*/
|
| 2459 |
carcamgo |
764 |
ierr = MatGetInertia(F,&sr->inertia1,PETSC_NULL,PETSC_NULL);CHKERRQ(ierr);
|
| 2629 |
carcamgo |
765 |
ierr = PCReset(pc);CHKERRQ(ierr); /* avoiding memory leak */
|
| 2459 |
carcamgo |
766 |
}
|
|
|
767 |
sr->nPend = 0;
|
|
|
768 |
ierr = EPSCreateShift(eps,sr->int0,PETSC_NULL,PETSC_NULL);CHKERRQ(ierr);
|
|
|
769 |
ierr = EPSExtractShift(eps);
|
|
|
770 |
sr->s0 = sr->sPres;
|
|
|
771 |
sr->inertia0 = sr->s0->inertia;
|
|
|
772 |
sr->numEigs = (sr->dir)*(sr->inertia1 - sr->inertia0);
|
|
|
773 |
sr->indexEig = 0;
|
| 2596 |
carcamgo |
774 |
/* Only with eigenvalues present in the interval ...*/
|
| 2464 |
carcamgo |
775 |
if(sr->numEigs==0){
|
|
|
776 |
eps->reason = EPS_CONVERGED_TOL;
|
| 2596 |
carcamgo |
777 |
ierr = PetscFree(sr->s0);CHKERRQ(ierr);
|
|
|
778 |
ierr = PetscFree(sr->pending);CHKERRQ(ierr);
|
|
|
779 |
ierr = PetscFree(sr);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
780 |
PetscFunctionReturn(0);
|
|
|
781 |
}
|
| 2596 |
carcamgo |
782 |
/* Memory reservation for eig, V and perm */
|
| 2708 |
carcamgo |
783 |
ierr = PetscMalloc(lds*lds*sizeof(PetscScalar),&sr->S);CHKERRQ(ierr);
|
|
|
784 |
ierr = PetscMemzero(sr->S,lds*lds*sizeof(PetscScalar));CHKERRQ(ierr);
|
| 2464 |
carcamgo |
785 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscScalar),&sr->eig);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
786 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscScalar),&sr->eigi);CHKERRQ(ierr);
|
| 2599 |
carcamgo |
787 |
ierr = PetscMalloc((sr->numEigs+eps->ncv) *sizeof(PetscReal),&sr->errest);CHKERRQ(ierr);
|
|
|
788 |
ierr = PetscMalloc((sr->numEigs+eps->ncv)*sizeof(PetscReal),&errest_left);CHKERRQ(ierr);
|
| 2609 |
carcamgo |
789 |
ierr = PetscMalloc((sr->numEigs+eps->ncv)*sizeof(PetscScalar),&sr->monit);CHKERRQ(ierr);
|
| 2629 |
carcamgo |
790 |
ierr = PetscMalloc((eps->ncv)*sizeof(PetscScalar),&sr->back);CHKERRQ(ierr);
|
| 2599 |
carcamgo |
791 |
for(i=0;i<sr->numEigs;i++){sr->eigi[i]=0;sr->eig[i] = 0;}
|
|
|
792 |
for(i=0;i<sr->numEigs+eps->ncv;i++){errest_left[i]=0;sr->errest[i]=0;sr->monit[i]=0;}
|
| 2464 |
carcamgo |
793 |
ierr = VecCreateMPI(((PetscObject)eps)->comm,eps->nloc,PETSC_DECIDE,&t);CHKERRQ(ierr);
|
|
|
794 |
ierr = VecDuplicateVecs(t,sr->numEigs,&sr->V);CHKERRQ(ierr);
|
|
|
795 |
ierr = VecDestroy(&t);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
796 |
/* Vector for maintaining order of eigenvalues */
|
| 2464 |
carcamgo |
797 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscInt),&sr->perm);CHKERRQ(ierr);
|
|
|
798 |
for(i=0;i< sr->numEigs;i++)sr->perm[i]=i;
|
| 2596 |
carcamgo |
799 |
/* Vectors for deflation */
|
|
|
800 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscInt),&sr->idxDef);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
801 |
ierr = PetscMalloc((sr->numEigs)*sizeof(Vec),&sr->VDef);CHKERRQ(ierr);
|
|
|
802 |
sr->indexEig = 0;
|
| 2708 |
carcamgo |
803 |
/* Main loop */
|
| 2464 |
carcamgo |
804 |
while(sr->sPres){
|
| 2596 |
carcamgo |
805 |
/* Search for deflation */
|
| 2464 |
carcamgo |
806 |
ierr = EPSLookForDeflation(eps);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
807 |
/* KrylovSchur */
|
| 2464 |
carcamgo |
808 |
ierr = EPSKrylovSchur_Slice(eps);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
809 |
|
| 2464 |
carcamgo |
810 |
ierr = EPSStoreEigenpairs(eps);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
811 |
/* Select new shift */
|
| 2468 |
eromero |
812 |
if(!sr->sPres->comp[1]){
|
| 2464 |
carcamgo |
813 |
ierr = EPSGetNewShiftValue(eps,1,&newS);CHKERRQ(ierr);
|
|
|
814 |
ierr = EPSCreateShift(eps,newS,sr->sPres,sr->sPres->neighb[1]);
|
|
|
815 |
}
|
| 2468 |
eromero |
816 |
if(!sr->sPres->comp[0]){
|
| 2596 |
carcamgo |
817 |
/* Completing earlier interval */
|
| 2464 |
carcamgo |
818 |
ierr = EPSGetNewShiftValue(eps,0,&newS);CHKERRQ(ierr);
|
|
|
819 |
ierr = EPSCreateShift(eps,newS,sr->sPres->neighb[0],sr->sPres);
|
|
|
820 |
}
|
| 2596 |
carcamgo |
821 |
/* Preparing for a new search of values */
|
| 2464 |
carcamgo |
822 |
ierr = EPSExtractShift(eps);CHKERRQ(ierr);
|
|
|
823 |
}
|
| 2596 |
carcamgo |
824 |
|
|
|
825 |
/* Updating eps values prior to exit */
|
| 2629 |
carcamgo |
826 |
|
| 2464 |
carcamgo |
827 |
ierr = VecDestroyVecs(eps->allocated_ncv,&eps->V);CHKERRQ(ierr);
|
|
|
828 |
eps->V = sr->V;
|
| 2708 |
carcamgo |
829 |
ierr = PetscFree(sr->S);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
830 |
ierr = PetscFree(eps->eigr);CHKERRQ(ierr);
|
|
|
831 |
ierr = PetscFree(eps->eigi);CHKERRQ(ierr);
|
|
|
832 |
ierr = PetscFree(eps->errest);CHKERRQ(ierr);
|
|
|
833 |
ierr = PetscFree(eps->errest_left);CHKERRQ(ierr);
|
|
|
834 |
ierr = PetscFree(eps->perm);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
835 |
eps->eigr = sr->eig;
|
|
|
836 |
eps->eigi = sr->eigi;
|
|
|
837 |
eps->errest = sr->errest;
|
|
|
838 |
eps->errest_left = errest_left;
|
| 2464 |
carcamgo |
839 |
eps->perm = sr->perm;
|
| 2596 |
carcamgo |
840 |
eps->ncv = eps->allocated_ncv = sr->numEigs;
|
| 2464 |
carcamgo |
841 |
eps->nconv = sr->indexEig;
|
|
|
842 |
eps->reason = EPS_CONVERGED_TOL;
|
| 2596 |
carcamgo |
843 |
eps->its = sr->itsKs;
|
| 2464 |
carcamgo |
844 |
eps->nds = 0;
|
|
|
845 |
eps->DS = PETSC_NULL;
|
| 2596 |
carcamgo |
846 |
eps->evecsavailable = PETSC_TRUE;
|
| 2464 |
carcamgo |
847 |
ierr = PetscFree(sr->VDef);CHKERRQ(ierr);
|
|
|
848 |
ierr = PetscFree(sr->idxDef);CHKERRQ(ierr);
|
|
|
849 |
ierr = PetscFree(sr->pending);CHKERRQ(ierr);
|
| 2599 |
carcamgo |
850 |
ierr = PetscFree(sr->monit);CHKERRQ(ierr);
|
| 2629 |
carcamgo |
851 |
ierr = PetscFree(sr->back);CHKERRQ(ierr);
|
| 2596 |
carcamgo |
852 |
/* Reviewing list of shifts to free memory */
|
| 2713 |
jroman |
853 |
s = sr->s0;
|
| 2464 |
carcamgo |
854 |
if(s){
|
|
|
855 |
while(s->neighb[1]){
|
|
|
856 |
s = s->neighb[1];
|
|
|
857 |
ierr = PetscFree(s->neighb[0]);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
858 |
}
|
| 2464 |
carcamgo |
859 |
ierr = PetscFree(s);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
860 |
}
|
| 2464 |
carcamgo |
861 |
ierr = PetscFree(sr);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
862 |
PetscFunctionReturn(0);
|
| 2599 |
carcamgo |
863 |
}
|