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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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/**/
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PetscInt allKs,def,deg,db;
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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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eromero |
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PetscBool comp[2]; //
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carcamgo |
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shift neighb[2];//
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PetscInt index; //
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PetscInt neigs; //
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PetscReal ext[2]; //
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PetscInt nsch[2]; //
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PetscReal pert; //
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PetscBool deg; //not used
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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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jroman |
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PetscReal int0,int1; // extremes of the interval
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carcamgo |
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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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PetscInt inertia0,inertia1;
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Vec *V;
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PetscScalar *eig;
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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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PetscInt indexEig;
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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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PetscInt nMAXCompl;
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PetscInt iterCompl;
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PetscInt itsKs;
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PetscInt nShifts;//number of computed shifts
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shift s0;// initial shift
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PetscReal tolDeg;
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PetscInt nDeg;//number of values coinciding with a shift
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PetscInt defMin; //minimum amount of values for deflation
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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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s->deg = PETSC_FALSE;
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s->nsch[0] = s->nsch[1]=0;
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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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if(sr->nPend >= sr->maxPend){
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carcamgo |
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if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD,"resizing pending shifts array\n");CHKERRQ(ierr);}
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carcamgo |
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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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sr->nShifts++;
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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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eps->its =0;
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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 succeed
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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,*Qreal,rtmp;//
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jroman |
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PetscBool breakdown;
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carcamgo |
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PetscInt count0,count1;//nconv_prev;
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PetscReal theta,lambda;
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shift sPres;
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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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jroman |
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PetscInt iterCompl=0,n0,n1;
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carcamgo |
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//PetscReal res;
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jroman |
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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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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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count0=0;count1=0; // found on both sides
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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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eps->its++;
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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 |
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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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/* Check convergence */
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ierr = EPSKrylovConvergence(eps,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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if(allKs ==1){//option for accepting all converging values
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carcamgo |
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Qreal = (PetscReal*)Q;//
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carcamgo |
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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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}
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jroman |
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for(i=0;i<nv;i++) a[i]=PetscRealPart(eps->eigr[eps->nconv+i]);
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carcamgo |
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for(i=0;i<nv;i++){
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eps->eigr[eps->nconv+i] = a[iwork[i]];
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}
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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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carcamgo |
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rtmp=Qreal[k+p*nv];Qreal[k+p*nv]=Qreal[k+i*nv];Qreal[k+i*nv]=rtmp;
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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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carcamgo |
238 |
}
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}
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}
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k=eps->nconv+conv;
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}
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/*checking proximity to an eigenvalue*/
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carcamgo |
244 |
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carcamgo |
245 |
if(deg==1){
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for(i=0;i < k; i++){
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theta = PetscRealPart(eps->eigr[i]);
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jroman |
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if(PetscAbsReal(theta*sPres->value*eps->tol*10)>1){
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carcamgo |
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if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD,"DEGENERATED SHIFT\n");CHKERRQ(ierr);}
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carcamgo |
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sr->nDeg++;
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carcamgo |
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sPres->deg = PETSC_TRUE;
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carcamgo |
252 |
}else break;
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}
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}
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/*
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if(deg == 1 && sr->nDeg > 0){
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eps->reason = EPS_CONVERGED_TOL;
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}else{
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*/
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/* 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 |
268 |
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carcamgo |
269 |
/* checks completion */
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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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if(complIterating){
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if(--iterCompl <= 0) eps->reason = EPS_DIVERGED_ITS;
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}else if (k >= eps->nev) {//eps->reason = EPS_CONVERGED_TOL;
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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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complIterating = PETSC_TRUE;
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carcamgo |
281 |
if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD,"iterating for completion nMAXComp=%d\n",sr->nMAXCompl);CHKERRQ(ierr);}
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carcamgo |
282 |
if(n0 >sr->nMAXCompl)sch0 = PETSC_FALSE;
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if(n1 >sr->nMAXCompl)sch1 = PETSC_FALSE;
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284 |
iterCompl = sr->iterCompl;
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285 |
}else eps->reason = EPS_CONVERGED_TOL;
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286 |
}
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287 |
}
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288 |
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jroman |
289 |
/* Update l */
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290 |
if (eps->reason != EPS_CONVERGED_ITERATING || breakdown) l = 0;
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291 |
else l = (eps->nconv+nv-k)/2;
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292 |
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293 |
if (eps->reason == EPS_CONVERGED_ITERATING) {
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294 |
if (breakdown) {
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295 |
/* Start a new Lanczos factorization */
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| 2499 |
jroman |
296 |
ierr = PetscInfo2(eps,"Breakdown in Krylov-Schur method (it=%D norm=%G)\n",eps->its,beta);CHKERRQ(ierr);
|
| 2404 |
jroman |
297 |
ierr = EPSGetStartVector(eps,k,eps->V[k],&breakdown);CHKERRQ(ierr);
|
|
|
298 |
if (breakdown) {
|
|
|
299 |
eps->reason = EPS_DIVERGED_BREAKDOWN;
|
| 2499 |
jroman |
300 |
ierr = PetscInfo(eps,"Unable to generate more start vectors\n");CHKERRQ(ierr);
|
| 2404 |
jroman |
301 |
}
|
|
|
302 |
} else {
|
|
|
303 |
/* Prepare the Rayleigh quotient for restart */
|
|
|
304 |
for (i=0;i<l;i++) {
|
|
|
305 |
a[i] = PetscRealPart(eps->eigr[i+k]);
|
|
|
306 |
b[i] = PetscRealPart(Q[nv-1+(i+k-eps->nconv)*nv]*beta);
|
|
|
307 |
}
|
|
|
308 |
}
|
|
|
309 |
}
|
|
|
310 |
/* Update the corresponding vectors V(:,idx) = V*Q(:,idx) */
|
|
|
311 |
ierr = SlepcUpdateVectors(nv,eps->V+eps->nconv,0,k+l-eps->nconv,Q,nv,PETSC_FALSE);CHKERRQ(ierr);
|
|
|
312 |
/* Normalize u and append it to V */
|
|
|
313 |
if (eps->reason == EPS_CONVERGED_ITERATING && !breakdown) {
|
|
|
314 |
ierr = VecAXPBY(eps->V[k+l],1.0/beta,0.0,u);CHKERRQ(ierr);
|
|
|
315 |
}
|
|
|
316 |
|
|
|
317 |
ierr = EPSMonitor(eps,eps->its,k,eps->eigr,eps->eigi,eps->errest,nv+eps->nconv);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
318 |
//nconv_prev = eps->nconv;//
|
| 2404 |
jroman |
319 |
eps->nconv = k;
|
| 2459 |
carcamgo |
320 |
}
|
|
|
321 |
/* check for completion */
|
| 2468 |
eromero |
322 |
sPres->comp[0] = (count0 >= sPres->nsch[0])?PETSC_TRUE:PETSC_FALSE;
|
|
|
323 |
sPres->comp[1] = (count1 >= sPres->nsch[1])?PETSC_TRUE:PETSC_FALSE;
|
| 2464 |
carcamgo |
324 |
if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD," found count0=%d(of %d) and count1=%d(of %d)\n",count0,sPres->nsch[0],count1,sPres->nsch[1]);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
325 |
sr->itsKs += eps->its;
|
|
|
326 |
|
| 2404 |
jroman |
327 |
ierr = PetscFree(Q);CHKERRQ(ierr);
|
|
|
328 |
ierr = PetscFree(a);CHKERRQ(ierr);
|
|
|
329 |
ierr = PetscFree(b);CHKERRQ(ierr);
|
|
|
330 |
ierr = PetscFree(work);CHKERRQ(ierr);
|
|
|
331 |
ierr = PetscFree(iwork);CHKERRQ(ierr);
|
|
|
332 |
PetscFunctionReturn(0);
|
|
|
333 |
}
|
|
|
334 |
|
| 2459 |
carcamgo |
335 |
/*
|
|
|
336 |
obtains value of subsequent shift
|
|
|
337 |
*/
|
|
|
338 |
#undef __FUNCT__
|
|
|
339 |
#define __FUNCT__ "EPSGetNewShiftValue"
|
|
|
340 |
static PetscErrorCode EPSGetNewShiftValue(EPS eps,PetscInt side,PetscReal *newS){
|
|
|
341 |
PetscReal lambda,d_prev;//pert,d,d_avg;
|
|
|
342 |
PetscInt i,idxP;
|
|
|
343 |
SR sr;
|
|
|
344 |
shift sPres;
|
|
|
345 |
|
|
|
346 |
PetscFunctionBegin;
|
|
|
347 |
sr = (SR)eps->data;
|
|
|
348 |
sPres = sr->sPres;
|
|
|
349 |
/*
|
|
|
350 |
pert = 0;
|
|
|
351 |
if(sPres->neigs >0){
|
|
|
352 |
idxP=0;//number of computed eigenvalues previous to sPres->value
|
|
|
353 |
for(i=sPres->index;i< sPres->index + sPres->neigs;i++){
|
|
|
354 |
lambda = PetscRealPart(sr->eig[i]);
|
|
|
355 |
if((sr->dir)*(lambda - sPres->value) < 0)idxP++;
|
|
|
356 |
else break;
|
|
|
357 |
}
|
|
|
358 |
//middle point between shift and previous/posterior value
|
|
|
359 |
pert = PetscAbs(sr->eig[sPres->index+idxP]- sr->sPres->value)/2;
|
|
|
360 |
}
|
|
|
361 |
*/
|
| 2464 |
carcamgo |
362 |
if( sPres->neighb[side]){
|
| 2459 |
carcamgo |
363 |
/* completing a previous interval */
|
|
|
364 |
*newS=(sPres->value + sPres->neighb[side]->value)/2;
|
|
|
365 |
|
|
|
366 |
}else{ //(only for side=1). creating a new interval.
|
|
|
367 |
if(sPres->neigs==0){// no value has been accepted
|
| 2464 |
carcamgo |
368 |
if(sPres->neighb[0]){
|
| 2459 |
carcamgo |
369 |
// multiplying by 10 the previous distance
|
| 2465 |
jroman |
370 |
*newS = sPres->value + 10*(sr->dir)*PetscAbsReal(sPres->value - sPres->neighb[0]->value);
|
| 2459 |
carcamgo |
371 |
}else {//first shift
|
|
|
372 |
if(eps->nconv != 0){
|
|
|
373 |
//unaccepted values give information for next shift
|
|
|
374 |
idxP=0;//number of values left from shift
|
|
|
375 |
for(i=0;i<eps->nconv;i++){
|
|
|
376 |
lambda = PetscRealPart(eps->eigr[i]);
|
|
|
377 |
if( (sr->dir)*(lambda - sPres->value) <0)idxP++;
|
|
|
378 |
else break;
|
|
|
379 |
}
|
|
|
380 |
//avoiding substraction of eigenvalues (might be the same).
|
|
|
381 |
if(idxP>0){
|
| 2465 |
jroman |
382 |
d_prev = PetscAbsReal(sPres->value - PetscRealPart(eps->eigr[0]))/(idxP+0.3);
|
| 2459 |
carcamgo |
383 |
}else {
|
| 2465 |
jroman |
384 |
d_prev = PetscAbsReal(sPres->value - PetscRealPart(eps->eigr[eps->nconv-1]))/(eps->nconv+0.3);
|
| 2459 |
carcamgo |
385 |
}
|
|
|
386 |
*newS = sPres->value + ((sr->dir)*d_prev*eps->nev)/2;
|
|
|
387 |
}else{//no values found, no information for next shift
|
|
|
388 |
// changing the end of the interval
|
|
|
389 |
}
|
|
|
390 |
}
|
|
|
391 |
}else{// accepted values found
|
|
|
392 |
//average distance of values in previous subinterval
|
|
|
393 |
shift s = sPres->neighb[0];
|
| 2464 |
carcamgo |
394 |
while(s && PetscAbs(s->inertia - sPres->inertia)==0){
|
| 2459 |
carcamgo |
395 |
s = s->neighb[0];//looking for previous shifts with eigenvalues within
|
|
|
396 |
}
|
| 2464 |
carcamgo |
397 |
if(s){
|
| 2465 |
jroman |
398 |
d_prev = PetscAbsReal( (sPres->value - s->value)/(sPres->inertia - s->inertia));
|
| 2470 |
jroman |
399 |
}else{//first shift. average distance obtained with values in this shift
|
| 2465 |
jroman |
400 |
d_prev = PetscAbsReal( PetscRealPart(sr->eig[sPres->index+sPres->neigs-1]) - sPres->value)/(sPres->neigs+0.3);
|
| 2459 |
carcamgo |
401 |
}
|
| 2470 |
jroman |
402 |
// average distance is used for next shift by adding it to value on the right or to shift
|
| 2465 |
jroman |
403 |
if( (sr->dir)*(PetscRealPart(sr->eig[sPres->index + sPres->neigs -1]) - sPres->value) >0){
|
|
|
404 |
*newS = PetscRealPart(sr->eig[sPres->index + sPres->neigs -1])+ ((sr->dir)*d_prev*(eps->nev))/2;
|
| 2459 |
carcamgo |
405 |
}else{//last accepted value is on the left of shift. adding to shift.
|
|
|
406 |
*newS = sPres->value + ((sr->dir)*d_prev*(eps->nev))/2;
|
|
|
407 |
}
|
|
|
408 |
//}
|
|
|
409 |
}
|
|
|
410 |
//end of interval can not be surpassed
|
|
|
411 |
if(sr->hasEnd && ((sr->dir)*(*newS - sr->int1) > 0))*newS=sr->int1;
|
|
|
412 |
}//of neighb[side]==null
|
|
|
413 |
PetscFunctionReturn(0);
|
|
|
414 |
}
|
|
|
415 |
|
|
|
416 |
/*
|
|
|
417 |
function for sorting an array of real values
|
|
|
418 |
*/
|
|
|
419 |
#undef __FUNCT__
|
|
|
420 |
#define __FUNCT__ "sortRealEigenvalues"
|
|
|
421 |
static PetscErrorCode sortRealEigenvalues(PetscScalar *r,PetscInt *perm,PetscInt nr,PetscBool prev,PetscInt dir)
|
|
|
422 |
{
|
|
|
423 |
PetscReal re;
|
|
|
424 |
PetscInt i,j,tmp;
|
|
|
425 |
|
|
|
426 |
PetscFunctionBegin;
|
| 2464 |
carcamgo |
427 |
if(!prev) for (i=0; i < nr; i++) { perm[i] = i; }
|
| 2459 |
carcamgo |
428 |
/* insertion sort */
|
|
|
429 |
for (i=1; i < nr; i++) {
|
|
|
430 |
re = PetscRealPart(r[perm[i]]);
|
|
|
431 |
j = i-1;
|
|
|
432 |
while ( j>=0 && dir*(re - PetscRealPart(r[perm[j]])) <= 0 ) {
|
|
|
433 |
tmp = perm[j]; perm[j] = perm[j+1]; perm[j+1] = tmp; j--;
|
|
|
434 |
}
|
|
|
435 |
}
|
|
|
436 |
PetscFunctionReturn(0);
|
|
|
437 |
}
|
|
|
438 |
|
|
|
439 |
/* Stores the pairs obtained since the last shift in the global arrays */
|
|
|
440 |
#undef __FUNCT__
|
|
|
441 |
#define __FUNCT__ "EPSStoreEigenpairs"
|
|
|
442 |
PetscErrorCode EPSStoreEigenpairs(EPS eps)
|
|
|
443 |
{
|
|
|
444 |
PetscErrorCode ierr;
|
|
|
445 |
PetscReal lambda,error;
|
|
|
446 |
PetscInt i,count;
|
|
|
447 |
PetscBool cond;
|
|
|
448 |
SR sr;
|
|
|
449 |
shift sPres;
|
|
|
450 |
|
|
|
451 |
PetscFunctionBegin;
|
|
|
452 |
sr = (SR)(eps->data);
|
|
|
453 |
sPres = sr->sPres;
|
|
|
454 |
sPres->index = sr->indexEig;
|
|
|
455 |
count = sr->indexEig;
|
| 2464 |
carcamgo |
456 |
error=0;
|
| 2459 |
carcamgo |
457 |
/* backtransform */
|
|
|
458 |
for(i=0;i < eps->nconv; i++) eps->eigr[i] = sPres->value + 1.0/(eps->eigr[i]);
|
|
|
459 |
/* sort eigenvalues */
|
|
|
460 |
ierr = sortRealEigenvalues(eps->eigr,eps->perm,eps->nconv,PETSC_FALSE,sr->dir);
|
|
|
461 |
/* values stored in global array */
|
|
|
462 |
// condition for avoiding comparing whith a non-existing end.
|
| 2468 |
eromero |
463 |
cond = (!sPres->neighb[1] && !sr->hasEnd)?PETSC_TRUE:PETSC_FALSE;
|
| 2459 |
carcamgo |
464 |
for( i=0; i < eps->nconv ;i++ ){
|
|
|
465 |
lambda = PetscRealPart(eps->eigr[eps->perm[i]]);
|
| 2464 |
carcamgo |
466 |
if(db>1){ierr = EPSComputeRelativeError(eps,eps->perm[i],&error);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
467 |
if( ( ((sr->dir)*(lambda - sPres->ext[0]) > 0) && ( cond || ((sr->dir)*(lambda - sPres->ext[1]) < 0)) ) ){
|
| 2464 |
carcamgo |
468 |
if(count>=sr->numEigs){//Error found
|
|
|
469 |
ierr = PetscPrintf(PETSC_COMM_WORLD,"Number of reserved values exceeded lambda=%.14g\n",lambda);
|
|
|
470 |
break;
|
|
|
471 |
}
|
| 2459 |
carcamgo |
472 |
sr->eig[count] = lambda;
|
|
|
473 |
ierr = VecCopy(eps->V[eps->perm[i]], sr->V[count]);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
474 |
if(db>1){ierr = PetscPrintf(PETSC_COMM_WORLD,"i=%d perm[i]=%d lambda=%.14g error=%g indexEig=%d\n",i,eps->perm[i],lambda,error,count);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
475 |
count++;
|
| 2464 |
carcamgo |
476 |
}else if(db>1){ierr = PetscPrintf(PETSC_COMM_WORLD,"i=%d perm[i]=%d lambda=%.14g NOT VALID\n",i,eps->perm[i],lambda);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
477 |
}
|
|
|
478 |
sPres->neigs = count - sr->indexEig;
|
| 2464 |
carcamgo |
479 |
if(db>=1){PetscPrintf(PETSC_COMM_WORLD," stored between %d and %d\n",sr->indexEig,count);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
480 |
sr->indexEig = count;
|
|
|
481 |
|
|
|
482 |
ierr = sortRealEigenvalues(sr->eig,sr->perm,count,PETSC_TRUE,sr->dir);CHKERRQ(ierr);
|
|
|
483 |
PetscFunctionReturn(0);
|
|
|
484 |
}
|
|
|
485 |
|
|
|
486 |
#undef __FUNCT__
|
|
|
487 |
#define __FUNCT__ "EPSLookForDeflation"
|
|
|
488 |
PetscErrorCode EPSLookForDeflation(EPS eps)
|
|
|
489 |
{
|
| 2464 |
carcamgo |
490 |
PetscErrorCode ierr;
|
| 2459 |
carcamgo |
491 |
PetscReal val,lambda,lambda2;
|
|
|
492 |
PetscInt i,count0=0,count1=0;
|
|
|
493 |
shift sPres;
|
|
|
494 |
PetscInt ini,fin,defMin,k,idx0,idx1;
|
|
|
495 |
PetscBool consec;
|
|
|
496 |
SR sr;
|
|
|
497 |
|
|
|
498 |
PetscFunctionBegin;
|
|
|
499 |
sr = (SR)(eps->data);
|
|
|
500 |
sPres = sr->sPres;
|
|
|
501 |
defMin = sr->defMin;
|
|
|
502 |
|
| 2464 |
carcamgo |
503 |
if(sPres->neighb[0]) ini = (sr->dir)*(sPres->neighb[0]->inertia - sr->inertia0);
|
| 2459 |
carcamgo |
504 |
else ini = 0;
|
|
|
505 |
fin = sr->indexEig;
|
|
|
506 |
// selection of ends for searching new values
|
|
|
507 |
// later modified with version def=0
|
| 2464 |
carcamgo |
508 |
if(!sPres->neighb[0]) sPres->ext[0] = sr->int0;//first shift
|
| 2459 |
carcamgo |
509 |
else sPres->ext[0] = sPres->neighb[0]->value;
|
| 2464 |
carcamgo |
510 |
if(!sPres->neighb[1]) {
|
| 2459 |
carcamgo |
511 |
if(sr->hasEnd) sPres->ext[1] = sr->int1;
|
|
|
512 |
else sPres->ext[1] = (sr->dir > 0)?PETSC_MAX_REAL:PETSC_MIN_REAL;
|
|
|
513 |
}else sPres->ext[1] = sPres->neighb[1]->value;
|
| 2464 |
carcamgo |
514 |
if(db>1){ierr = PetscPrintf(PETSC_COMM_WORLD,"ext0=%g ext1=%g\n",sPres->ext[0],sPres->ext[1]);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
515 |
//selection of values between right and left ends
|
|
|
516 |
for(i=ini;i<fin;i++){
|
|
|
517 |
val=PetscRealPart(sr->eig[sr->perm[i]]);
|
|
|
518 |
//values to the right of left shift
|
|
|
519 |
if( (sr->dir)*(val - sPres->ext[1]) < 0 ){
|
|
|
520 |
if((sr->dir)*(val - sPres->value) < 0)count0++;
|
|
|
521 |
else count1++;
|
|
|
522 |
}else break;
|
|
|
523 |
}
|
|
|
524 |
// the number of values on each side are found
|
| 2464 |
carcamgo |
525 |
if(sPres->neighb[0])
|
| 2459 |
carcamgo |
526 |
sPres->nsch[0] = (sr->dir)*(sPres->inertia - sPres->neighb[0]->inertia)-count0;
|
|
|
527 |
else sPres->nsch[0] = 0;
|
|
|
528 |
|
| 2464 |
carcamgo |
529 |
if(sPres->neighb[1])
|
| 2459 |
carcamgo |
530 |
sPres->nsch[1] = (sr->dir)*(sPres->neighb[1]->inertia - sPres->inertia) - count1;
|
|
|
531 |
else sPres->nsch[1] = (sr->dir)*(sr->inertia1 - sPres->inertia);
|
|
|
532 |
|
|
|
533 |
//completing vector of indexes for deflation
|
| 2464 |
carcamgo |
534 |
if(def==0 && !sPres->neighb[1]){//new interval && no deflation
|
|
|
535 |
if(db>1){ierr = PetscPrintf(PETSC_COMM_WORLD,"def=0 y neig1=null\n");CHKERRQ(ierr);}
|
|
|
536 |
k=0;
|
|
|
537 |
for(i=fin-1;i>ini;i--){
|
|
|
538 |
k++;
|
|
|
539 |
lambda = PetscRealPart(sr->eig[sr->perm[i]]);
|
|
|
540 |
lambda2 = PetscRealPart(sr->eig[sr->perm[i-1]]);
|
| 2465 |
jroman |
541 |
if( PetscAbsReal((lambda - lambda2)/lambda) > sr->tolDeg){//relative tolerance
|
| 2464 |
carcamgo |
542 |
break;
|
| 2459 |
carcamgo |
543 |
}
|
| 2464 |
carcamgo |
544 |
}
|
|
|
545 |
// if i!=ini values for i and i-1 more than toldeg apart
|
|
|
546 |
if(db>1){ierr = PetscPrintf(PETSC_COMM_WORLD,"lookDef i=%d ini=%d\n",i,ini);CHKERRQ(ierr);}
|
|
|
547 |
if(i<=ini){
|
|
|
548 |
sPres->ext[0] = sPres->value;
|
|
|
549 |
}else{//middle point
|
|
|
550 |
sPres->ext[0] = (PetscRealPart(sr->eig[sr->perm[i]])+PetscRealPart(sr->eig[sr->perm[i-1]]))/2;
|
|
|
551 |
}
|
|
|
552 |
idx0=ini+count0-k;
|
|
|
553 |
idx1=ini+count0;
|
|
|
554 |
if(db>1){ierr = PetscPrintf(PETSC_COMM_WORLD,"ext0=%g ext1=%g idx0=%d idx1=%d count0=%d k=%d\n",sPres->ext[0],sPres->ext[1],idx0,idx1,count0,k);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
555 |
}else{ //completing a subinterval or without deflation
|
|
|
556 |
k = PetscMax(0,defMin-count0);
|
|
|
557 |
idx0 = PetscMax(0,ini-k);
|
|
|
558 |
if(def==0 && sPres->nsch[0]==0){//no deflation towards 0
|
|
|
559 |
idx0 = ini + count0;
|
|
|
560 |
sPres->ext[0] = sPres->value;
|
|
|
561 |
}
|
|
|
562 |
k = PetscMax(0,defMin-count1);
|
|
|
563 |
idx1 = PetscMin(sr->indexEig,ini+count0+count1+k);
|
|
|
564 |
if(def==0 && sPres->nsch[1]==0){//no deflation towards 1
|
|
|
565 |
idx1 = ini + count0;
|
|
|
566 |
sPres->ext[1] = sPres->value;
|
|
|
567 |
}
|
|
|
568 |
}
|
|
|
569 |
k=0;
|
|
|
570 |
for(i=idx0;i<idx1;i++)sr->idxDef[k++]=sr->perm[i];
|
|
|
571 |
///// info
|
| 2464 |
carcamgo |
572 |
if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD," deflated %d in [0] and %d in [1]",count0,count1);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
573 |
/////
|
|
|
574 |
|
|
|
575 |
// check for consecutives
|
|
|
576 |
consec=PETSC_TRUE;
|
|
|
577 |
for(i=1;i<k;i++)if(sr->idxDef[i]!=sr->idxDef[i-1]+1){consec = PETSC_FALSE; break;}
|
|
|
578 |
// if not consecutives, copied in array
|
|
|
579 |
//if(consec){
|
|
|
580 |
// V o which
|
|
|
581 |
//else{
|
|
|
582 |
for(i=0;i<k;i++)sr->VDef[i]=sr->V[sr->idxDef[i]];
|
|
|
583 |
eps->DS = sr->VDef;
|
|
|
584 |
//}
|
|
|
585 |
eps->nds = k;
|
|
|
586 |
//////info
|
| 2464 |
carcamgo |
587 |
if(db>=1){
|
|
|
588 |
if(consec){ ierr = PetscPrintf(PETSC_COMM_WORLD," (%d consecutive values)\n",k);CHKERRQ(ierr);}
|
|
|
589 |
else{ ierr = PetscPrintf(PETSC_COMM_WORLD," (%d non consecutive values)\n",k);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
590 |
}
|
|
|
591 |
|
|
|
592 |
PetscFunctionReturn(0);
|
|
|
593 |
}
|
|
|
594 |
|
|
|
595 |
#undef __FUNCT__
|
|
|
596 |
#define __FUNCT__ "EPSSolve_KrylovSchur_Slice"
|
|
|
597 |
PetscErrorCode EPSSolve_KrylovSchur_Slice(EPS eps)
|
|
|
598 |
{
|
|
|
599 |
PetscErrorCode ierr;
|
|
|
600 |
PetscInt i,j;
|
|
|
601 |
PetscInt imax,jmax;
|
|
|
602 |
PetscReal newS;
|
|
|
603 |
KSP ksp;
|
|
|
604 |
PC pc;
|
|
|
605 |
Mat B,F;
|
|
|
606 |
PetscScalar *eigi;
|
|
|
607 |
Vec t,w;
|
|
|
608 |
SR sr;
|
| 2465 |
jroman |
609 |
PetscReal orthMax;
|
|
|
610 |
PetscScalar inerd;
|
| 2459 |
carcamgo |
611 |
double t1,t2;
|
|
|
612 |
|
|
|
613 |
PetscFunctionBegin;
|
|
|
614 |
eps->trackall = PETSC_TRUE;
|
| 2464 |
carcamgo |
615 |
allKs = 0;
|
| 2459 |
carcamgo |
616 |
def = 1;
|
|
|
617 |
deg=0;
|
| 2464 |
carcamgo |
618 |
db = 0;
|
|
|
619 |
ierr = PetscOptionsGetInt(PETSC_NULL,"-db",&db,PETSC_NULL);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
620 |
ierr = PetscOptionsGetInt(PETSC_NULL,"-deg",°,PETSC_NULL);CHKERRQ(ierr);
|
|
|
621 |
ierr = PetscOptionsGetInt(PETSC_NULL,"-def",&def,PETSC_NULL);CHKERRQ(ierr);
|
|
|
622 |
ierr = PetscOptionsGetInt(PETSC_NULL,"-allKs",&allKs,PETSC_NULL);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
623 |
if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD,"Options: allKs=%d, def=%d, deg=%d \n",allKs,def,deg);CHKERRQ(ierr);}
|
|
|
624 |
ierr = PetscMalloc(sizeof(struct _n_SR),&sr);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
625 |
eps->data = sr;
|
| 2473 |
jroman |
626 |
sr->tolDeg = PetscSqrtReal(eps->tol);//default
|
| 2459 |
carcamgo |
627 |
ierr = PetscOptionsGetReal(PETSC_NULL,"-toldeg",&sr->tolDeg,PETSC_NULL);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
628 |
if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD,"toldeg=%g\n",sr->tolDeg);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
629 |
sr->defMin = 0;
|
|
|
630 |
ierr = PetscOptionsGetInt(PETSC_NULL,"-defMin",&sr->defMin,PETSC_NULL);CHKERRQ(ierr);
|
|
|
631 |
if(def==0)sr->defMin =0;
|
|
|
632 |
//checking presence of ends and finding direction
|
|
|
633 |
if( eps->inta > PETSC_MIN_REAL){
|
|
|
634 |
sr->int0 = eps->inta;
|
|
|
635 |
sr->int1 = eps->intb;
|
|
|
636 |
sr->dir = 1;
|
|
|
637 |
if(eps->intb >= PETSC_MAX_REAL){ /* right-open interval */
|
|
|
638 |
sr->hasEnd = PETSC_FALSE;
|
|
|
639 |
sr->inertia1 = eps->n;
|
|
|
640 |
}else sr->hasEnd = PETSC_TRUE;
|
|
|
641 |
}else{ /* left-open interval */
|
|
|
642 |
sr->int0 = eps->intb;
|
|
|
643 |
sr->int1 = eps->inta;
|
|
|
644 |
sr->dir = -1;
|
|
|
645 |
sr->hasEnd = PETSC_FALSE;
|
|
|
646 |
sr->inertia1 = 0;
|
|
|
647 |
}
|
| 2464 |
carcamgo |
648 |
if(db>=1){ierr = PetscPrintf(PETSC_COMM_WORLD,"dir=%d int0=%g\n",sr->dir,sr->int0);CHKERRQ(ierr);}
|
| 2459 |
carcamgo |
649 |
sr->nMAXCompl = 0;
|
|
|
650 |
ierr = PetscOptionsGetInt(PETSC_NULL,"-comp",&sr->nMAXCompl,PETSC_NULL);
|
|
|
651 |
sr->iterCompl = sr->nMAXCompl+5;//=======
|
| 2464 |
carcamgo |
652 |
//i = PetscMin(eps->mpd,eps->ncv);//=======
|
| 2459 |
carcamgo |
653 |
//ierr = PetscMalloc(i*sizeof(PetscReal),&sr->aprox);CHKERRQ(ierr);//======
|
|
|
654 |
// array of pending shifts
|
|
|
655 |
sr->maxPend = 100;//initial size;
|
|
|
656 |
ierr = PetscMalloc((sr->maxPend)*sizeof(shift),&sr->pending);CHKERRQ(ierr);
|
|
|
657 |
if(sr->hasEnd){
|
|
|
658 |
ierr = STGetKSP(eps->OP, &ksp);CHKERRQ(ierr);
|
|
|
659 |
ierr = KSPGetPC(ksp, &pc);CHKERRQ(ierr);
|
|
|
660 |
ierr = PCFactorGetMatrix(pc,&F);CHKERRQ(ierr);
|
|
|
661 |
/* not looking for values in b (just inertia).*/
|
|
|
662 |
ierr = MatGetInertia(F,&sr->inertia1,PETSC_NULL,PETSC_NULL);CHKERRQ(ierr);
|
|
|
663 |
}
|
|
|
664 |
sr->nShifts = 0;
|
|
|
665 |
sr->nPend = 0;
|
|
|
666 |
ierr = EPSCreateShift(eps,sr->int0,PETSC_NULL,PETSC_NULL);CHKERRQ(ierr);
|
|
|
667 |
ierr = EPSExtractShift(eps);
|
|
|
668 |
sr->s0 = sr->sPres;
|
|
|
669 |
sr->inertia0 = sr->s0->inertia;
|
|
|
670 |
sr->numEigs = (sr->dir)*(sr->inertia1 - sr->inertia0);
|
|
|
671 |
sr->indexEig = 0;
|
|
|
672 |
sr->itsKs = 0;
|
|
|
673 |
sr->nDeg = 0;
|
| 2464 |
carcamgo |
674 |
if(db>=1){
|
|
|
675 |
ierr = PetscPrintf(PETSC_COMM_WORLD,"dir=%d inertia in 0(=%g) %d and in 1(=%g) %d\n",sr->dir,sr->int0,sr->inertia0,sr->int1,sr->inertia1);CHKERRQ(ierr);
|
|
|
676 |
ierr = PetscPrintf(PETSC_COMM_WORLD,"numEigs=%d\n\n",sr->numEigs);
|
|
|
677 |
}
|
| 2470 |
jroman |
678 |
/* only with eigenvalues present in the interval ...*/
|
| 2464 |
carcamgo |
679 |
if(sr->numEigs==0){
|
|
|
680 |
eps->reason = EPS_CONVERGED_TOL;
|
|
|
681 |
PetscFunctionReturn(0);
|
|
|
682 |
}
|
| 2459 |
carcamgo |
683 |
|
| 2464 |
carcamgo |
684 |
/* memory reservation for eig, V and perm */
|
|
|
685 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscScalar),&sr->eig);CHKERRQ(ierr);
|
|
|
686 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscScalar),&eigi);CHKERRQ(ierr);
|
|
|
687 |
for(i=0;i<sr->numEigs;i++)eigi[i]=0;
|
|
|
688 |
ierr = VecCreateMPI(((PetscObject)eps)->comm,eps->nloc,PETSC_DECIDE,&t);CHKERRQ(ierr);
|
|
|
689 |
ierr = VecDuplicateVecs(t,sr->numEigs,&sr->V);CHKERRQ(ierr);
|
|
|
690 |
ierr = VecDestroy(&t);CHKERRQ(ierr);
|
|
|
691 |
// vector for maintaining order of eigenvalues
|
|
|
692 |
ierr = PetscMalloc((sr->numEigs)*sizeof(PetscInt),&sr->perm);CHKERRQ(ierr);
|
|
|
693 |
for(i=0;i< sr->numEigs;i++)sr->perm[i]=i;
|
|
|
694 |
// vectors for deflation
|
|
|
695 |
ierr = PetscMalloc((sr->numEigs+sr->defMin)*sizeof(PetscInt),&sr->idxDef);CHKERRQ(ierr);
|
|
|
696 |
ierr = PetscMalloc((sr->numEigs)*sizeof(Vec),&sr->VDef);CHKERRQ(ierr);
|
|
|
697 |
sr->indexEig = 0;
|
| 2459 |
carcamgo |
698 |
|
| 2464 |
carcamgo |
699 |
t1 = MPI_Wtime();
|
|
|
700 |
while(sr->sPres){
|
| 2459 |
carcamgo |
701 |
|
| 2464 |
carcamgo |
702 |
//////////info
|
|
|
703 |
if(db>=1){
|
|
|
704 |
if(sr->sPres->neighb[1]){ierr = PetscPrintf(PETSC_COMM_WORLD,"Completing ");CHKERRQ(ierr);}
|
|
|
705 |
else {ierr = PetscPrintf(PETSC_COMM_WORLD,"New ");CHKERRQ(ierr);}
|
|
|
706 |
ierr = PetscPrintf(PETSC_COMM_WORLD,"shift: %.14g (s0=",sr->sPres->value);CHKERRQ(ierr);
|
|
|
707 |
if (sr->sPres->neighb[0]){ierr = PetscPrintf(PETSC_COMM_WORLD,"%g",sr->sPres->neighb[0]->value);CHKERRQ(ierr);}
|
|
|
708 |
ierr = PetscPrintf(PETSC_COMM_WORLD," s1=");CHKERRQ(ierr);
|
|
|
709 |
if (sr->sPres->neighb[1]){ierr = PetscPrintf(PETSC_COMM_WORLD,"%g",sr->sPres->neighb[1]->value);CHKERRQ(ierr);}
|
|
|
710 |
ierr = PetscPrintf(PETSC_COMM_WORLD,")\n");CHKERRQ(ierr);
|
| 2459 |
carcamgo |
711 |
}
|
| 2464 |
carcamgo |
712 |
///////////
|
|
|
713 |
|
|
|
714 |
/* search for deflation */
|
|
|
715 |
ierr = EPSLookForDeflation(eps);CHKERRQ(ierr);
|
|
|
716 |
/* krylovSchur */
|
|
|
717 |
ierr = EPSKrylovSchur_Slice(eps);CHKERRQ(ierr);
|
|
|
718 |
ierr = EPSStoreEigenpairs(eps);CHKERRQ(ierr);
|
|
|
719 |
/* select new shift */
|
| 2468 |
eromero |
720 |
if(!sr->sPres->comp[1]){
|
| 2464 |
carcamgo |
721 |
ierr = EPSGetNewShiftValue(eps,1,&newS);CHKERRQ(ierr);
|
|
|
722 |
ierr = EPSCreateShift(eps,newS,sr->sPres,sr->sPres->neighb[1]);
|
|
|
723 |
}
|
| 2468 |
eromero |
724 |
if(!sr->sPres->comp[0]){
|
| 2464 |
carcamgo |
725 |
// completing earlier interval
|
|
|
726 |
ierr = EPSGetNewShiftValue(eps,0,&newS);CHKERRQ(ierr);
|
|
|
727 |
ierr = EPSCreateShift(eps,newS,sr->sPres->neighb[0],sr->sPres);
|
|
|
728 |
}
|
|
|
729 |
/* preparing for a new search of values */
|
|
|
730 |
ierr = EPSExtractShift(eps);CHKERRQ(ierr);
|
|
|
731 |
}
|
|
|
732 |
t2 = MPI_Wtime();
|
|
|
733 |
/* checking orthogonality */
|
|
|
734 |
if(db>=1){
|
| 2459 |
carcamgo |
735 |
ierr = STGetOperators(eps->OP,PETSC_NULL,&B);CHKERRQ(ierr);
|
|
|
736 |
orthMax=0;
|
|
|
737 |
imax=jmax=-1;
|
|
|
738 |
ierr = VecDuplicate(sr->V[0],&w);CHKERRQ(ierr);
|
|
|
739 |
for(i=0;i < sr->indexEig; i++){
|
| 2464 |
carcamgo |
740 |
ierr = MatMult(B,sr->V[i],w);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
741 |
for(j=0;j < sr->indexEig;j++){
|
| 2465 |
jroman |
742 |
if(i != j) {
|
|
|
743 |
ierr = VecDot(w,sr->V[j],&inerd);CHKERRQ(ierr);
|
|
|
744 |
if(PetscRealPart(inerd)>orthMax){orthMax = PetscRealPart(inerd); imax = i; jmax = j;}
|
|
|
745 |
}
|
| 2459 |
carcamgo |
746 |
}
|
|
|
747 |
}
|
|
|
748 |
ierr = VecDestroy(&w);CHKERRQ(ierr);
|
| 2464 |
carcamgo |
749 |
ierr = PetscPrintf(PETSC_COMM_WORLD,"\nStored indexEig=%d (of %d)\n (orthog max %g in i=%d j=%d)\n\n",sr->indexEig,sr->numEigs,orthMax,imax,jmax);CHKERRQ(ierr);
|
|
|
750 |
ierr = PetscPrintf(PETSC_COMM_WORLD," time %g\n",t2-t1);CHKERRQ(ierr);
|
|
|
751 |
ierr = PetscPrintf(PETSC_COMM_WORLD," number of shifts: %d\n",sr->nShifts);CHKERRQ(ierr);
|
|
|
752 |
}
|
|
|
753 |
/* updating eps values prior to exit */
|
|
|
754 |
//ierr = EPSFreeSolution(eps);
|
|
|
755 |
ierr = VecDestroyVecs(eps->allocated_ncv,&eps->V);CHKERRQ(ierr);
|
|
|
756 |
eps->V = sr->V;
|
|
|
757 |
ierr = PetscFree(eps->eigr);CHKERRQ(ierr);
|
|
|
758 |
ierr = PetscFree(eps->eigi);CHKERRQ(ierr);
|
|
|
759 |
eps->eigr = sr->eig;
|
|
|
760 |
eps->eigi = eigi;
|
|
|
761 |
eps->its = sr->itsKs;
|
|
|
762 |
eps->ncv = eps->allocated_ncv = sr->numEigs;
|
|
|
763 |
ierr = PetscFree(eps->errest);CHKERRQ(ierr);
|
|
|
764 |
ierr = PetscFree(eps->errest_left);CHKERRQ(ierr);
|
|
|
765 |
ierr = PetscMalloc(eps->ncv*sizeof(PetscReal),&eps->errest);CHKERRQ(ierr);
|
|
|
766 |
ierr = PetscMalloc(eps->ncv*sizeof(PetscReal),&eps->errest_left);CHKERRQ(ierr);
|
|
|
767 |
ierr = PetscFree(eps->perm);CHKERRQ(ierr);
|
|
|
768 |
eps->perm = sr->perm;
|
|
|
769 |
eps->nconv = sr->indexEig;
|
|
|
770 |
eps->reason = EPS_CONVERGED_TOL;
|
|
|
771 |
eps->nds = 0;
|
|
|
772 |
eps->DS = PETSC_NULL;
|
|
|
773 |
ierr = PetscFree(sr->VDef);CHKERRQ(ierr);
|
|
|
774 |
ierr = PetscFree(sr->idxDef);CHKERRQ(ierr);
|
|
|
775 |
ierr = PetscFree(sr->pending);CHKERRQ(ierr);
|
|
|
776 |
// reviewing list of shifts to free memmory
|
|
|
777 |
shift s = sr->s0;
|
|
|
778 |
if(s){
|
|
|
779 |
while(s->neighb[1]){
|
|
|
780 |
s = s->neighb[1];
|
|
|
781 |
ierr = PetscFree(s->neighb[0]);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
782 |
}
|
| 2464 |
carcamgo |
783 |
ierr = PetscFree(s);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
784 |
}
|
| 2464 |
carcamgo |
785 |
ierr = PetscFree(sr);CHKERRQ(ierr);
|
| 2459 |
carcamgo |
786 |
PetscFunctionReturn(0);
|
|
|
787 |
}
|
|
|
788 |
|