GCC Code Coverage Report


Directory: ./
File: src/eps/impls/external/evsl/evsl.c
Date: 2025-10-04 04:19:13
Exec Total Coverage
Lines: 440 446 98.7%
Functions: 28 28 100.0%
Branches: 1405 2815 49.9%

Line Branch Exec Source
1 /*
2 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
3 SLEPc - Scalable Library for Eigenvalue Problem Computations
4 Copyright (c) 2002-, Universitat Politecnica de Valencia, Spain
5
6 This file is part of SLEPc.
7 SLEPc is distributed under a 2-clause BSD license (see LICENSE).
8 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
9 */
10 /*
11 This file implements a wrapper to eigensolvers in EVSL.
12 */
13
14 #include <slepc/private/epsimpl.h> /*I "slepceps.h" I*/
15 #include <evsl.h>
16
17 #define PetscCallEVSL(func, ...) do { \
18 PetscStackPushExternal(PetscStringize(func)); \
19 int evsl_ierr_ = func(__VA_ARGS__); \
20 PetscStackPop; \
21 PetscCheck(!evsl_ierr_,PETSC_COMM_SELF,PETSC_ERR_LIB,"Error calling %s: error code %d",PetscStringize(func(__VA_ARGS__)),evsl_ierr_); \
22 } while (0)
23
24 typedef struct {
25 PetscBool initialized;
26 Mat A; /* problem matrix */
27 Vec x,y; /* auxiliary vectors */
28 PetscReal *sli; /* slice bounds */
29 PetscInt nev; /* approximate number of wanted eigenvalues in each slice */
30 PetscLayout map; /* used to distribute slices among MPI processes */
31 PetscBool estimrange; /* the filter range was not set by the user */
32 /* user parameters */
33 PetscInt nslices; /* number of slices */
34 PetscReal lmin,lmax; /* numerical range (min and max eigenvalue) */
35 EPSEVSLDOSMethod dos; /* DOS method, either KPM or Lanczos */
36 PetscInt nvec; /* number of sample vectors used for DOS */
37 PetscInt deg; /* polynomial degree used for DOS (KPM only) */
38 PetscInt steps; /* number of Lanczos steps used for DOS (Lanczos only) */
39 PetscInt npoints; /* number of sample points used for DOS (Lanczos only) */
40 PetscInt max_deg; /* maximum degree allowed for the polynomial */
41 PetscReal thresh; /* threshold for accepting polynomial */
42 EPSEVSLDamping damping; /* type of damping (for polynomial and for DOS-KPM) */
43 } EPS_EVSL;
44
45 1499626 static void AMatvec_EVSL(double *xa,double *ya,void *data)
46 {
47 1499626 EPS_EVSL *ctx = (EPS_EVSL*)data;
48 1499626 Vec x = ctx->x,y = ctx->y;
49 1499626 Mat A = ctx->A;
50
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1499626 PetscFunctionBegin;
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1499626 PetscCallAbort(PetscObjectComm((PetscObject)A),VecPlaceArray(x,(PetscScalar*)xa));
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1499626 PetscCallAbort(PetscObjectComm((PetscObject)A),VecPlaceArray(y,(PetscScalar*)ya));
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1499626 PetscCallAbort(PetscObjectComm((PetscObject)A),MatMult(A,x,y));
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1499626 PetscCallAbort(PetscObjectComm((PetscObject)A),VecResetArray(x));
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1499626 PetscCallAbort(PetscObjectComm((PetscObject)A),VecResetArray(y));
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1499626 PetscFunctionReturnVoid();
58 }
59
60 45 static PetscErrorCode EPSSetUp_EVSL(EPS eps)
61 {
62 45 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
63 45 PetscMPIInt size,rank;
64 45 PetscBool isshift;
65 45 PetscScalar *vinit;
66 45 PetscReal *mu,ecount,xintv[4],*xdos,*ydos;
67 45 Vec v0;
68 45 Mat A;
69 45 PetscRandom rnd;
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45 PetscFunctionBegin;
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45 EPSCheckStandard(eps);
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45 EPSCheckHermitian(eps);
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45 EPSCheckNotStructured(eps);
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45 if (eps->nev==0) eps->nev = 1;
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45 PetscCall(PetscObjectTypeCompare((PetscObject)eps->st,STSHIFT,&isshift));
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45 PetscCheck(isshift,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver does not support spectral transformations");
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45 if (ctx->initialized) EVSLFinish();
80 45 EVSLStart();
81 45 ctx->initialized=PETSC_TRUE;
82
83 /* get number of slices per process */
84
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45 PetscCallMPI(MPI_Comm_size(PetscObjectComm((PetscObject)eps),&size));
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45 PetscCallMPI(MPI_Comm_rank(PetscObjectComm((PetscObject)eps),&rank));
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45 if (!ctx->nslices) ctx->nslices = size;
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45 PetscCall(PetscLayoutDestroy(&ctx->map));
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45 PetscCall(PetscLayoutCreateFromSizes(PetscObjectComm((PetscObject)eps),PETSC_DECIDE,ctx->nslices,1,&ctx->map));
89
90 /* get matrix and prepare auxiliary vectors */
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45 PetscCall(MatDestroy(&ctx->A));
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45 PetscCall(STGetMatrix(eps->st,0,&A));
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45 if (size==1) {
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21 PetscCall(PetscObjectReference((PetscObject)A));
95 21 ctx->A = A;
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24 } else PetscCall(MatCreateRedundantMatrix(A,0,PETSC_COMM_SELF,MAT_INITIAL_MATRIX,&ctx->A));
97 45 SetAMatvec(eps->n,&AMatvec_EVSL,(void*)ctx);
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45 if (!ctx->x) PetscCall(MatCreateVecsEmpty(ctx->A,&ctx->x,&ctx->y));
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45 EPSCheckUnsupported(eps,EPS_FEATURE_ARBITRARY | EPS_FEATURE_REGION | EPS_FEATURE_STOPPING);
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45 EPSCheckIgnored(eps,EPS_FEATURE_EXTRACTION | EPS_FEATURE_CONVERGENCE);
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45 if (!eps->which) eps->which=EPS_ALL;
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45 PetscCheck(eps->which==EPS_ALL && eps->inta!=eps->intb,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"This solver requires setting an interval with EPSSetInterval()");
104
105 /* estimate numerical range */
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45 if (ctx->estimrange || ctx->lmin == PETSC_MIN_REAL || ctx->lmax == PETSC_MAX_REAL) {
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42 PetscCall(MatCreateVecs(ctx->A,&v0,NULL));
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42 if (!eps->V) PetscCall(EPSGetBV(eps,&eps->V));
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42 PetscCall(BVGetRandomContext(eps->V,&rnd));
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42 PetscCall(VecSetRandom(v0,rnd));
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42 PetscCall(VecGetArray(v0,&vinit));
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42 PetscCallEVSL(LanTrbounds,50,200,eps->tol,vinit,1,&ctx->lmin,&ctx->lmax,NULL);
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42 PetscCall(VecRestoreArray(v0,&vinit));
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42 PetscCall(VecDestroy(&v0));
115 42 ctx->estimrange = PETSC_TRUE; /* estimate if called again with another matrix */
116 }
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45 PetscCheck(ctx->lmin<=eps->inta && ctx->lmax>=eps->intb,PetscObjectComm((PetscObject)eps),PETSC_ERR_SUP,"The requested interval [%g,%g] must be contained in the numerical range [%g,%g]",(double)eps->inta,(double)eps->intb,(double)ctx->lmin,(double)ctx->lmax);
118 45 xintv[0] = eps->inta;
119 45 xintv[1] = eps->intb;
120 45 xintv[2] = ctx->lmin;
121 45 xintv[3] = ctx->lmax;
122
123 /* estimate number of eigenvalues in the interval */
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45 switch (ctx->dos) {
125 27 case EPS_EVSL_DOS_KPM:
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27 PetscCall(PetscMalloc1(ctx->deg+1,&mu));
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27 if (!rank) PetscCallEVSL(kpmdos,ctx->deg,(int)ctx->damping,ctx->nvec,xintv,mu,&ecount);
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54 PetscCallMPI(MPI_Bcast(mu,ctx->deg+1,MPIU_REAL,0,PetscObjectComm((PetscObject)eps)));
129 break;
130 18 case EPS_EVSL_DOS_LANCZOS:
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18 PetscCall(PetscMalloc2(ctx->npoints,&xdos,ctx->npoints,&ydos));
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18 if (!rank) PetscCallEVSL(LanDos,ctx->nvec,PetscMin(ctx->steps,eps->n/2),ctx->npoints,xdos,ydos,&ecount,xintv);
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36 PetscCallMPI(MPI_Bcast(xdos,ctx->npoints,MPIU_REAL,0,PetscObjectComm((PetscObject)eps)));
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36 PetscCallMPI(MPI_Bcast(ydos,ctx->npoints,MPIU_REAL,0,PetscObjectComm((PetscObject)eps)));
135 break;
136 default:
137 SETERRQ(PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Invalid DOS method");
138 }
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90 PetscCallMPI(MPI_Bcast(&ecount,1,MPIU_REAL,0,PetscObjectComm((PetscObject)eps)));
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45 PetscCall(PetscInfo(eps,"Estimated eigenvalue count in the interval: %g\n",ecount));
142 45 eps->ncv = (PetscInt)PetscCeilReal(1.5*ecount);
143
144 /* slice the spectrum */
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45 PetscCall(PetscFree(ctx->sli));
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45 PetscCall(PetscMalloc1(ctx->nslices+1,&ctx->sli));
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45 if (ctx->dos == EPS_EVSL_DOS_KPM) {
148
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27 PetscCallEVSL(spslicer,ctx->sli,mu,ctx->deg,xintv,ctx->nslices,10*(PetscInt)ecount);
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27 PetscCall(PetscFree(mu));
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18 } else if (ctx->dos == EPS_EVSL_DOS_LANCZOS) {
151 18 spslicer2(xdos,ydos,ctx->nslices,ctx->npoints,ctx->sli);
152
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18 PetscCall(PetscFree2(xdos,ydos));
153 }
154
155 /* approximate number of eigenvalues wanted in each slice */
156 45 ctx->nev = (PetscInt)(1.0 + ecount/(PetscReal)ctx->nslices) + 2;
157
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45 if (eps->mpd!=PETSC_DETERMINE) PetscCall(PetscInfo(eps,"Warning: parameter mpd ignored\n"));
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45 if (eps->max_it==PETSC_DETERMINE) eps->max_it = 1;
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45 PetscCall(EPSAllocateSolution(eps,0));
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15 PetscFunctionReturn(PETSC_SUCCESS);
162 }
163
164 45 static PetscErrorCode EPSSolve_EVSL(EPS eps)
165 {
166 45 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
167 45 PetscInt i,j,k=0,sl,mlan,nevout,*ind,nevmax,rstart,rend,*nevloc,*disp,N;
168 45 PetscReal *res,xintv[4],*errest;
169 45 PetscScalar *lam,*X,*Y,*vinit,*eigr;
170 45 PetscMPIInt size,rank;
171 45 PetscRandom rnd;
172 45 Vec v,w,v0,x;
173 45 VecScatter vs;
174 45 IS is;
175 45 polparams pol;
176
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45 PetscFunctionBegin;
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45 PetscCallMPI(MPI_Comm_size(PetscObjectComm((PetscObject)eps),&size));
179
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45 PetscCallMPI(MPI_Comm_rank(PetscObjectComm((PetscObject)eps),&rank));
180
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45 PetscCall(PetscLayoutGetRange(ctx->map,&rstart,&rend));
181 45 nevmax = (rend-rstart)*ctx->nev;
182
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45 PetscCall(MatCreateVecs(ctx->A,&v0,NULL));
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45 PetscCall(BVGetRandomContext(eps->V,&rnd));
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45 PetscCall(VecSetRandom(v0,rnd));
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45 PetscCall(VecGetArray(v0,&vinit));
186
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45 PetscCall(PetscMalloc5(size,&nevloc,size+1,&disp,nevmax,&eigr,nevmax,&errest,nevmax*eps->n,&X));
187 45 mlan = PetscMin(PetscMax(5*ctx->nev,300),eps->n);
188
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111 for (sl=rstart; sl<rend; sl++) {
189 66 xintv[0] = ctx->sli[sl];
190 66 xintv[1] = ctx->sli[sl+1];
191 66 xintv[2] = ctx->lmin;
192 66 xintv[3] = ctx->lmax;
193
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66 PetscCall(PetscInfo(ctx->A,"Subinterval %" PetscInt_FMT ": [%.4e, %.4e]\n",sl+1,xintv[0],xintv[1]));
194 66 set_pol_def(&pol);
195 66 pol.max_deg = ctx->max_deg;
196 66 pol.damping = (int)ctx->damping;
197 66 pol.thresh_int = ctx->thresh;
198 66 find_pol(xintv,&pol);
199
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66 PetscCall(PetscInfo(ctx->A,"Polynomial [type = %" PetscInt_FMT "], deg %" PetscInt_FMT ", bar %e gam %e\n",pol.type,pol.deg,pol.bar,pol.gam));
200
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66 PetscCallEVSL(ChebLanNr,xintv,mlan,eps->tol,vinit,&pol,&nevout,&lam,&Y,&res,NULL);
201
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66 PetscCheck(k+nevout<=nevmax,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Too low estimation of eigenvalue count, try modifying the sampling parameters");
202 66 free_pol(&pol);
203
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66 PetscCall(PetscInfo(ctx->A,"Computed %" PetscInt_FMT " eigenvalues\n",nevout));
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66 PetscCall(PetscMalloc1(nevout,&ind));
205 66 sort_double(nevout,lam,ind);
206
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510 for (i=0;i<nevout;i++) {
207 378 eigr[i+k] = lam[i];
208 378 errest[i+k] = res[ind[i]];
209
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378 PetscCall(PetscArraycpy(X+(i+k)*eps->n,Y+ind[i]*eps->n,eps->n));
210 }
211 66 k += nevout;
212
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66 if (lam) evsl_Free(lam);
213
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66 if (Y) evsl_Free_device(Y);
214
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66 if (res) evsl_Free(res);
215
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66 PetscCall(PetscFree(ind));
216 }
217
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45 PetscCall(VecRestoreArray(v0,&vinit));
218
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45 PetscCall(VecDestroy(&v0));
219
220 /* gather eigenvalues computed by each MPI process */
221
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90 PetscCallMPI(MPI_Allgather(&k,1,MPIU_INT,nevloc,1,MPIU_INT,PetscObjectComm((PetscObject)eps)));
222 45 eps->nev = nevloc[0];
223 45 disp[0] = 0;
224
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69 for (i=1;i<size;i++) {
225 24 eps->nev += nevloc[i];
226 24 disp[i] = disp[i-1]+nevloc[i-1];
227 }
228 45 disp[size] = disp[size-1]+nevloc[size-1];
229
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45 PetscCheck(eps->nev<=eps->ncv,PetscObjectComm((PetscObject)eps),PETSC_ERR_LIB,"Too low estimation of eigenvalue count, try modifying the sampling parameters");
230
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90 PetscCallMPI(MPI_Allgatherv(eigr,k,MPIU_SCALAR,eps->eigr,nevloc,disp,MPIU_SCALAR,PetscObjectComm((PetscObject)eps)));
231
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90 PetscCallMPI(MPI_Allgatherv(errest,k,MPIU_REAL,eps->errest,nevloc,disp,MPIU_REAL,PetscObjectComm((PetscObject)eps)));
232 45 eps->nconv = eps->nev;
233 45 eps->its = 1;
234 45 eps->reason = EPS_CONVERGED_TOL;
235
236 /* scatter computed eigenvectors and store them in eps->V */
237
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45 PetscCall(BVCreateVec(eps->V,&w));
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114 for (i=0;i<size;i++) {
239
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69 N = (rank==i)? eps->n: 0;
240
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69 PetscCall(VecCreateSeq(PETSC_COMM_SELF,N,&x));
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69 PetscCall(VecSetFromOptions(x));
242
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69 PetscCall(ISCreateStride(PETSC_COMM_SELF,N,0,1,&is));
243
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69 PetscCall(VecScatterCreate(x,is,w,is,&vs));
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69 PetscCall(ISDestroy(&is));
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528 for (j=disp[i];j<disp[i+1];j++) {
246
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459 PetscCall(BVGetColumn(eps->V,j,&v));
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459 if (rank==i) PetscCall(VecPlaceArray(x,X+(j-disp[i])*eps->n));
248
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459 PetscCall(VecScatterBegin(vs,x,v,INSERT_VALUES,SCATTER_FORWARD));
249
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459 PetscCall(VecScatterEnd(vs,x,v,INSERT_VALUES,SCATTER_FORWARD));
250
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459 if (rank==i) PetscCall(VecResetArray(x));
251
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459 PetscCall(BVRestoreColumn(eps->V,j,&v));
252 }
253
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69 PetscCall(VecScatterDestroy(&vs));
254
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69 PetscCall(VecDestroy(&x));
255 }
256
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45 PetscCall(VecDestroy(&w));
257
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45 PetscCall(PetscFree5(nevloc,disp,eigr,errest,X));
258
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15 PetscFunctionReturn(PETSC_SUCCESS);
259 }
260
261 6 static PetscErrorCode EPSEVSLSetSlices_EVSL(EPS eps,PetscInt nslices)
262 {
263 6 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
264
265
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6 PetscFunctionBegin;
266
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6 if (nslices == PETSC_DECIDE || nslices == PETSC_DEFAULT) nslices = 0;
267
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6 else PetscCheck(nslices>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"Number of slices must be 1 at least");
268
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6 if (ctx->nslices != nslices) {
269 6 ctx->nslices = nslices;
270 6 eps->state = EPS_STATE_INITIAL;
271 }
272
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2 PetscFunctionReturn(PETSC_SUCCESS);
273 }
274
275 /*@
276 EPSEVSLSetSlices - Set the number of slices in which the interval must be
277 subdivided.
278
279 Logically Collective
280
281 Input Parameters:
282 + eps - the eigensolver context
283 - nslices - the number of slices
284
285 Options Database Key:
286 . -eps_evsl_slices <n> - set the number of slices to n
287
288 Notes:
289 By default, one slice per MPI process is used. Depending on the number of
290 eigenvalues, using more slices may be beneficial, but very narrow subintervals
291 imply higher polynomial degree.
292
293 Level: intermediate
294
295 .seealso: EPSEVSLGetSlices()
296 @*/
297 6 PetscErrorCode EPSEVSLSetSlices(EPS eps,PetscInt nslices)
298 {
299
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6 PetscFunctionBegin;
300
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6 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
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6 PetscValidLogicalCollectiveInt(eps,nslices,2);
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6 PetscTryMethod(eps,"EPSEVSLSetSlices_C",(EPS,PetscInt),(eps,nslices));
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6 PetscFunctionReturn(PETSC_SUCCESS);
304 }
305
306 3 static PetscErrorCode EPSEVSLGetSlices_EVSL(EPS eps,PetscInt *nslices)
307 {
308 3 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
309
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3 PetscFunctionBegin;
311 3 *nslices = ctx->nslices;
312
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3 PetscFunctionReturn(PETSC_SUCCESS);
313 }
314
315 /*@
316 EPSEVSLGetSlices - Gets the number of slices in which the interval must be
317 subdivided.
318
319 Not Collective
320
321 Input Parameter:
322 . eps - the eigensolver context
323
324 Output Parameter:
325 . nslices - the number of slices
326
327 Level: intermediate
328
329 .seealso: EPSEVSLSetSlices()
330 @*/
331 3 PetscErrorCode EPSEVSLGetSlices(EPS eps,PetscInt *nslices)
332 {
333
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3 PetscFunctionBegin;
334
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3 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
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3 PetscAssertPointer(nslices,2);
336
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3 PetscUseMethod(eps,"EPSEVSLGetSlices_C",(EPS,PetscInt*),(eps,nslices));
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3 PetscFunctionReturn(PETSC_SUCCESS);
338 }
339
340 3 static PetscErrorCode EPSEVSLSetRange_EVSL(EPS eps,PetscReal lmin,PetscReal lmax)
341 {
342 3 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
343
344
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3 PetscFunctionBegin;
345
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3 PetscCheck(lmin<lmax,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_WRONG,"Badly defined interval, must be lmin<lmax");
346
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3 if (ctx->lmin != lmin || ctx->lmax != lmax) {
347 3 ctx->lmin = lmin;
348 3 ctx->lmax = lmax;
349 3 eps->state = EPS_STATE_INITIAL;
350 }
351
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1 PetscFunctionReturn(PETSC_SUCCESS);
352 }
353
354 /*@
355 EPSEVSLSetRange - Defines the numerical range (or field of values) of the problem,
356 that is, the interval containing all eigenvalues.
357
358 Logically Collective
359
360 Input Parameters:
361 + eps - the eigensolver context
362 . lmin - left end of the interval
363 - lmax - right end of the interval
364
365 Options Database Key:
366 . -eps_evsl_range <a,b> - set [a,b] as the numerical range
367
368 Notes:
369 The filter will be most effective if the numerical range is tight, that is, lmin
370 and lmax are good approximations to the leftmost and rightmost eigenvalues,
371 respectively. If not set by the user, an approximation is computed internally.
372
373 The wanted computational interval specified via EPSSetInterval() must be
374 contained in the numerical range.
375
376 Level: intermediate
377
378 .seealso: EPSEVSLGetRange(), EPSSetInterval()
379 @*/
380 3 PetscErrorCode EPSEVSLSetRange(EPS eps,PetscReal lmin,PetscReal lmax)
381 {
382
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3 PetscFunctionBegin;
383
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3 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
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3 PetscValidLogicalCollectiveReal(eps,lmin,2);
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3 PetscValidLogicalCollectiveReal(eps,lmax,3);
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3 PetscTryMethod(eps,"EPSEVSLSetRange_C",(EPS,PetscReal,PetscReal),(eps,lmin,lmax));
387
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3 PetscFunctionReturn(PETSC_SUCCESS);
388 }
389
390 3 static PetscErrorCode EPSEVSLGetRange_EVSL(EPS eps,PetscReal *lmin,PetscReal *lmax)
391 {
392 3 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
393
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3 PetscFunctionBegin;
395
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3 if (lmin) *lmin = ctx->lmin;
396
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3 if (lmax) *lmax = ctx->lmax;
397
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3 PetscFunctionReturn(PETSC_SUCCESS);
398 }
399
400 /*@
401 EPSEVSLGetRange - Gets the interval containing all eigenvalues.
402
403 Not Collective
404
405 Input Parameter:
406 . eps - the eigensolver context
407
408 Output Parameters:
409 + lmin - left end of the interval
410 - lmax - right end of the interval
411
412 Level: intermediate
413
414 .seealso: EPSEVSLSetRange()
415 @*/
416 3 PetscErrorCode EPSEVSLGetRange(EPS eps,PetscReal *lmin,PetscReal *lmax)
417 {
418
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3 PetscFunctionBegin;
419
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3 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
420
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3 PetscUseMethod(eps,"EPSEVSLGetRange_C",(EPS,PetscReal*,PetscReal*),(eps,lmin,lmax));
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3 PetscFunctionReturn(PETSC_SUCCESS);
422 }
423
424 12 static PetscErrorCode EPSEVSLSetDOSParameters_EVSL(EPS eps,EPSEVSLDOSMethod dos,PetscInt nvec,PetscInt deg,PetscInt steps,PetscInt npoints)
425 {
426 12 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
427
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12 PetscFunctionBegin;
429 12 ctx->dos = dos;
430
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12 if (nvec == PETSC_DETERMINE) ctx->nvec = 80;
431
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12 else if (nvec != PETSC_CURRENT) {
432
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12 PetscCheck(nvec>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The nvec argument must be > 0");
433 12 ctx->nvec = nvec;
434 }
435
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12 switch (dos) {
436 3 case EPS_EVSL_DOS_KPM:
437
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3 if (deg == PETSC_DETERMINE) ctx->deg = 300;
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3 else if (deg != PETSC_CURRENT) {
439
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3 PetscCheck(deg>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The deg argument must be > 0");
440 3 ctx->deg = deg;
441 }
442 break;
443 9 case EPS_EVSL_DOS_LANCZOS:
444
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9 if (steps == PETSC_DETERMINE) ctx->steps = 40;
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9 else if (steps != PETSC_CURRENT) {
446
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9 PetscCheck(steps>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The steps argument must be > 0");
447 9 ctx->steps = steps;
448 }
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9 if (npoints == PETSC_DETERMINE) ctx->npoints = 200;
450
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9 else if (npoints != PETSC_CURRENT) {
451
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9 PetscCheck(npoints>0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The npoints argument must be > 0");
452 9 ctx->npoints = npoints;
453 }
454 break;
455 }
456 12 eps->state = EPS_STATE_INITIAL;
457
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12 PetscFunctionReturn(PETSC_SUCCESS);
458 }
459
460 /*@
461 EPSEVSLSetDOSParameters - Defines the parameters used for computing the
462 density of states (DOS) in the EVSL solver.
463
464 Logically Collective
465
466 Input Parameters:
467 + eps - the eigensolver context
468 . dos - DOS method, either KPM or Lanczos
469 . nvec - number of sample vectors
470 . deg - polynomial degree (KPM only)
471 . steps - number of Lanczos steps (Lanczos only)
472 - npoints - number of sample points (Lanczos only)
473
474 Options Database Keys:
475 + -eps_evsl_dos_method <dos> - set the DOS method, either kpm or lanczos
476 . -eps_evsl_dos_nvec <n> - set the number of sample vectors
477 . -eps_evsl_dos_degree <n> - set the polynomial degree
478 . -eps_evsl_dos_steps <n> - set the number of Lanczos steps
479 - -eps_evsl_dos_npoints <n> - set the number of sample points
480
481 Notes:
482 The density of states (or spectral density) can be approximated with two
483 methods, kernel polynomial method (KPM) or Lanczos. Some parameters for
484 these methods can be set by the user with this function, with some of
485 them being relevant for one of the methods only.
486
487 For the integer argumens, you can use PETSC_CURRENT to keep the current
488 value, and PETSC_DETERMINE to set them to a reasonable default.
489
490 Level: intermediate
491
492 .seealso: EPSEVSLGetDOSParameters()
493 @*/
494 12 PetscErrorCode EPSEVSLSetDOSParameters(EPS eps,EPSEVSLDOSMethod dos,PetscInt nvec,PetscInt deg,PetscInt steps,PetscInt npoints)
495 {
496
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12 PetscFunctionBegin;
497
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12 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
498
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12 PetscValidLogicalCollectiveEnum(eps,dos,2);
499
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12 PetscValidLogicalCollectiveInt(eps,nvec,3);
500
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12 PetscValidLogicalCollectiveInt(eps,deg,4);
501
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12 PetscValidLogicalCollectiveInt(eps,steps,5);
502
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12 PetscValidLogicalCollectiveInt(eps,npoints,6);
503
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12 PetscTryMethod(eps,"EPSEVSLSetDOSParameters_C",(EPS,EPSEVSLDOSMethod,PetscInt,PetscInt,PetscInt,PetscInt),(eps,dos,nvec,deg,steps,npoints));
504
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12 PetscFunctionReturn(PETSC_SUCCESS);
505 }
506
507 27 static PetscErrorCode EPSEVSLGetDOSParameters_EVSL(EPS eps,EPSEVSLDOSMethod *dos,PetscInt *nvec,PetscInt *deg,PetscInt *steps,PetscInt *npoints)
508 {
509 27 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
510
511
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27 PetscFunctionBegin;
512
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27 if (dos) *dos = ctx->dos;
513
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27 if (nvec) *nvec = ctx->nvec;
514
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27 if (deg) *deg = ctx->deg;
515
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27 if (steps) *steps = ctx->steps;
516
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27 if (npoints) *npoints = ctx->npoints;
517
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27 PetscFunctionReturn(PETSC_SUCCESS);
518 }
519
520 /*@
521 EPSEVSLGetDOSParameters - Gets the parameters used for computing the
522 density of states (DOS) in the EVSL solver.
523
524 Not Collective
525
526 Input Parameter:
527 . eps - the eigensolver context
528
529 Output Parameters:
530 + dos - DOS method, either KPM or Lanczos
531 . nvec - number of sample vectors
532 . deg - polynomial degree (KPM only)
533 . steps - number of Lanczos steps (Lanczos only)
534 - npoints - number of sample points (Lanczos only)
535
536 Level: intermediate
537
538 .seealso: EPSEVSLSetDOSParameters()
539 @*/
540 27 PetscErrorCode EPSEVSLGetDOSParameters(EPS eps,EPSEVSLDOSMethod *dos,PetscInt *nvec,PetscInt *deg,PetscInt *steps,PetscInt *npoints)
541 {
542
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27 PetscFunctionBegin;
543
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27 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
544
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27 PetscUseMethod(eps,"EPSEVSLGetDOSParameters_C",(EPS,EPSEVSLDOSMethod*,PetscInt*,PetscInt*,PetscInt*,PetscInt*),(eps,dos,nvec,deg,steps,npoints));
545
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27 PetscFunctionReturn(PETSC_SUCCESS);
546 }
547
548 3 static PetscErrorCode EPSEVSLSetPolParameters_EVSL(EPS eps,PetscInt max_deg,PetscReal thresh)
549 {
550 3 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
551
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3 PetscFunctionBegin;
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3 if (max_deg == PETSC_DETERMINE) ctx->max_deg = 10000;
554
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3 else if (max_deg != PETSC_CURRENT) {
555
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3 PetscCheck(max_deg>2,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The max_deg argument must be > 2");
556 3 ctx->max_deg = max_deg;
557 }
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3 if (thresh == (PetscReal)PETSC_DETERMINE) ctx->thresh = 0.8;
559
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3 else if (thresh != (PetscReal)PETSC_CURRENT) {
560
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3 PetscCheck(thresh>0.0,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_OUTOFRANGE,"The thresh argument must be > 0.0");
561 3 ctx->thresh = thresh;
562 }
563 3 eps->state = EPS_STATE_INITIAL;
564
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3 PetscFunctionReturn(PETSC_SUCCESS);
565 }
566
567 /*@
568 EPSEVSLSetPolParameters - Defines the parameters used for building the
569 building the polynomial in the EVSL solver.
570
571 Logically Collective
572
573 Input Parameters:
574 + eps - the eigensolver context
575 . max_deg - maximum degree allowed for the polynomial
576 - thresh - threshold for accepting polynomial
577
578 Options Database Keys:
579 + -eps_evsl_pol_max_deg <d> - set maximum polynomial degree
580 - -eps_evsl_pol_thresh <t> - set the threshold
581
582 Note:
583 PETSC_CURRENT can be used to preserve the current value of any of the
584 arguments, and PETSC_DETERMINE to set them to a default value.
585
586 Level: intermediate
587
588 .seealso: EPSEVSLGetPolParameters()
589 @*/
590 3 PetscErrorCode EPSEVSLSetPolParameters(EPS eps,PetscInt max_deg,PetscReal thresh)
591 {
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3 PetscFunctionBegin;
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3 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
594
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3 PetscValidLogicalCollectiveInt(eps,max_deg,2);
595
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3 PetscValidLogicalCollectiveReal(eps,thresh,3);
596
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3 PetscTryMethod(eps,"EPSEVSLSetPolParameters_C",(EPS,PetscInt,PetscReal),(eps,max_deg,thresh));
597
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3 PetscFunctionReturn(PETSC_SUCCESS);
598 }
599
600 27 static PetscErrorCode EPSEVSLGetPolParameters_EVSL(EPS eps,PetscInt *max_deg,PetscReal *thresh)
601 {
602 27 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
603
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27 PetscFunctionBegin;
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27 if (max_deg) *max_deg = ctx->max_deg;
606
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27 if (thresh) *thresh = ctx->thresh;
607
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27 PetscFunctionReturn(PETSC_SUCCESS);
608 }
609
610 /*@
611 EPSEVSLGetPolParameters - Gets the parameters used for building the
612 polynomial in the EVSL solver.
613
614 Not Collective
615
616 Input Parameter:
617 . eps - the eigensolver context
618
619 Output Parameters:
620 + max_deg - the maximum degree of the polynomial
621 - thresh - the threshold
622
623 Level: intermediate
624
625 .seealso: EPSEVSLSetPolParameters()
626 @*/
627 27 PetscErrorCode EPSEVSLGetPolParameters(EPS eps,PetscInt *max_deg,PetscReal *thresh)
628 {
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27 PetscFunctionBegin;
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27 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
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27 PetscUseMethod(eps,"EPSEVSLGetPolParameters_C",(EPS,PetscInt*,PetscReal*),(eps,max_deg,thresh));
632
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27 PetscFunctionReturn(PETSC_SUCCESS);
633 }
634
635 6 static PetscErrorCode EPSEVSLSetDamping_EVSL(EPS eps,EPSEVSLDamping damping)
636 {
637 6 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
638
639
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6 PetscFunctionBegin;
640
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6 if (ctx->damping != damping) {
641 3 ctx->damping = damping;
642 3 eps->state = EPS_STATE_INITIAL;
643 }
644
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6 PetscFunctionReturn(PETSC_SUCCESS);
645 }
646
647 /*@
648 EPSEVSLSetDamping - Set the type of damping to be used in EVSL.
649
650 Logically Collective
651
652 Input Parameters:
653 + eps - the eigensolver context
654 - damping - the type of damping
655
656 Options Database Key:
657 . -eps_evsl_damping <n> - set the type of damping
658
659 Notes:
660 Damping is applied when building the polynomial to be used when solving the
661 eigenproblem, and also during estimation of DOS with the KPM method.
662
663 Level: intermediate
664
665 .seealso: EPSEVSLGetDamping(), EPSEVSLSetDOSParameters()
666 @*/
667 6 PetscErrorCode EPSEVSLSetDamping(EPS eps,EPSEVSLDamping damping)
668 {
669
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6 PetscFunctionBegin;
670
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6 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
671
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6 PetscValidLogicalCollectiveEnum(eps,damping,2);
672
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6 PetscTryMethod(eps,"EPSEVSLSetDamping_C",(EPS,EPSEVSLDamping),(eps,damping));
673
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6 PetscFunctionReturn(PETSC_SUCCESS);
674 }
675
676 3 static PetscErrorCode EPSEVSLGetDamping_EVSL(EPS eps,EPSEVSLDamping *damping)
677 {
678 3 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
679
680
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3 PetscFunctionBegin;
681 3 *damping = ctx->damping;
682
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3 PetscFunctionReturn(PETSC_SUCCESS);
683 }
684
685 /*@
686 EPSEVSLGetDamping - Gets the type of damping.
687
688 Not Collective
689
690 Input Parameter:
691 . eps - the eigensolver context
692
693 Output Parameter:
694 . damping - the type of damping
695
696 Level: intermediate
697
698 .seealso: EPSEVSLSetDamping()
699 @*/
700 3 PetscErrorCode EPSEVSLGetDamping(EPS eps,EPSEVSLDamping *damping)
701 {
702
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3 PetscFunctionBegin;
703
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3 PetscValidHeaderSpecific(eps,EPS_CLASSID,1);
704
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3 PetscAssertPointer(damping,2);
705
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3 PetscUseMethod(eps,"EPSEVSLGetDamping_C",(EPS,EPSEVSLDamping*),(eps,damping));
706
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3 PetscFunctionReturn(PETSC_SUCCESS);
707 }
708
709 3 static PetscErrorCode EPSView_EVSL(EPS eps,PetscViewer viewer)
710 {
711 3 PetscBool isascii;
712 3 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
713
714
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3 PetscFunctionBegin;
715
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3 PetscCall(PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&isascii));
716
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3 if (isascii) {
717
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3 PetscCall(PetscViewerASCIIPrintf(viewer," numerical range = [%g,%g]\n",(double)ctx->lmin,(double)ctx->lmax));
718
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3 PetscCall(PetscViewerASCIIPrintf(viewer," number of slices = %" PetscInt_FMT "\n",ctx->nslices));
719
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3 PetscCall(PetscViewerASCIIPrintf(viewer," type of damping = %s\n",EPSEVSLDampings[ctx->damping]));
720
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3 PetscCall(PetscViewerASCIIPrintf(viewer," computing DOS with %s: nvec=%" PetscInt_FMT ", ",EPSEVSLDOSMethods[ctx->dos],ctx->nvec));
721
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3 PetscCall(PetscViewerASCIIUseTabs(viewer,PETSC_FALSE));
722
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3 switch (ctx->dos) {
723 3 case EPS_EVSL_DOS_KPM:
724
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3 PetscCall(PetscViewerASCIIPrintf(viewer,"degree=%" PetscInt_FMT "\n",ctx->deg));
725 break;
726 case EPS_EVSL_DOS_LANCZOS:
727 PetscCall(PetscViewerASCIIPrintf(viewer,"steps=%" PetscInt_FMT ", npoints=%" PetscInt_FMT "\n",ctx->steps,ctx->npoints));
728 break;
729 }
730
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3 PetscCall(PetscViewerASCIIUseTabs(viewer,PETSC_TRUE));
731
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3 PetscCall(PetscViewerASCIIPrintf(viewer," polynomial parameters: max degree = %" PetscInt_FMT ", threshold = %g\n",ctx->max_deg,(double)ctx->thresh));
732 }
733
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1 PetscFunctionReturn(PETSC_SUCCESS);
734 }
735
736 27 static PetscErrorCode EPSSetFromOptions_EVSL(EPS eps,PetscOptionItems PetscOptionsObject)
737 {
738 27 PetscReal array[2]={0,0},th;
739 27 PetscInt k,i1,i2,i3,i4;
740 27 PetscBool flg,flg1;
741 27 EPSEVSLDOSMethod dos;
742 27 EPSEVSLDamping damping;
743 27 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
744
745
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27 PetscFunctionBegin;
746
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27 PetscOptionsHeadBegin(PetscOptionsObject,"EPS EVSL Options");
747
748 27 k = 2;
749
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27 PetscCall(PetscOptionsRealArray("-eps_evsl_range","Interval containing all eigenvalues (two real values separated with a comma without spaces)","EPSEVSLSetRange",array,&k,&flg));
750
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27 if (flg) {
751 PetscCheck(k>1,PetscObjectComm((PetscObject)eps),PETSC_ERR_ARG_SIZ,"Must pass two values in -eps_evsl_range (comma-separated without spaces)");
752 PetscCall(EPSEVSLSetRange(eps,array[0],array[1]));
753 }
754
755
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27 PetscCall(PetscOptionsInt("-eps_evsl_slices","Number of slices","EPSEVSLSetSlices",ctx->nslices,&i1,&flg));
756
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27 if (flg) PetscCall(EPSEVSLSetSlices(eps,i1));
757
758
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27 PetscCall(PetscOptionsEnum("-eps_evsl_damping","Type of damping","EPSEVSLSetDamping",EPSEVSLDampings,(PetscEnum)ctx->damping,(PetscEnum*)&damping,&flg));
759
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27 if (flg) PetscCall(EPSEVSLSetDamping(eps,damping));
760
761
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27 PetscCall(EPSEVSLGetDOSParameters(eps,&dos,&i1,&i2,&i3,&i4));
762
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27 PetscCall(PetscOptionsEnum("-eps_evsl_dos_method","Method to compute the DOS","EPSEVSLSetDOSParameters",EPSEVSLDOSMethods,(PetscEnum)ctx->dos,(PetscEnum*)&dos,&flg));
763
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27 PetscCall(PetscOptionsInt("-eps_evsl_dos_nvec","Number of sample vectors for DOS","EPSEVSLSetDOSParameters",i1,&i1,&flg1));
764
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27 if (flg1) flg = PETSC_TRUE;
765
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27 PetscCall(PetscOptionsInt("-eps_evsl_dos_degree","Polynomial degree used for DOS","EPSEVSLSetDOSParameters",i2,&i2,&flg1));
766
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27 if (flg1) flg = PETSC_TRUE;
767
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27 PetscCall(PetscOptionsInt("-eps_evsl_dos_steps","Number of Lanczos steps in DOS","EPSEVSLSetDOSParameters",i3,&i3,&flg1));
768
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27 if (flg1) flg = PETSC_TRUE;
769
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27 PetscCall(PetscOptionsInt("-eps_evsl_dos_npoints","Number of sample points used for DOS","EPSEVSLSetDOSParameters",i4,&i4,&flg1));
770
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27 if (flg || flg1) PetscCall(EPSEVSLSetDOSParameters(eps,dos,i1,i2,i3,i4));
771
772
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27 PetscCall(EPSEVSLGetPolParameters(eps,&i1,&th));
773
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27 PetscCall(PetscOptionsInt("-eps_evsl_pol_max_deg","Maximum degree allowed for the polynomial","EPSEVSLSetPolParameters",i1,&i1,&flg));
774
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27 PetscCall(PetscOptionsReal("-eps_evsl_pol_threshold","Threshold for accepting polynomial","EPSEVSLSetPolParameters",th,&th,&flg1));
775
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27 if (flg || flg1) PetscCall(EPSEVSLSetPolParameters(eps,i1,th));
776
777
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27 PetscOptionsHeadEnd();
778
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9 PetscFunctionReturn(PETSC_SUCCESS);
779 }
780
781 27 static PetscErrorCode EPSDestroy_EVSL(EPS eps)
782 {
783 27 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
784
785
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27 PetscFunctionBegin;
786
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27 if (ctx->initialized) EVSLFinish();
787
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27 PetscCall(PetscLayoutDestroy(&ctx->map));
788
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27 PetscCall(PetscFree(ctx->sli));
789
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27 PetscCall(PetscFree(eps->data));
790
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetRange_C",NULL));
791
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetRange_C",NULL));
792
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetSlices_C",NULL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetSlices_C",NULL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetDOSParameters_C",NULL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetDOSParameters_C",NULL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetPolParameters_C",NULL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetPolParameters_C",NULL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetDamping_C",NULL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetDamping_C",NULL));
800
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9 PetscFunctionReturn(PETSC_SUCCESS);
801 }
802
803 36 static PetscErrorCode EPSReset_EVSL(EPS eps)
804 {
805 36 EPS_EVSL *ctx = (EPS_EVSL*)eps->data;
806
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36 PetscFunctionBegin;
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36 PetscCall(MatDestroy(&ctx->A));
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36 PetscCall(VecDestroy(&ctx->x));
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36 PetscCall(VecDestroy(&ctx->y));
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12 PetscFunctionReturn(PETSC_SUCCESS);
812 }
813
814 27 SLEPC_EXTERN PetscErrorCode EPSCreate_EVSL(EPS eps)
815 {
816 27 EPS_EVSL *ctx;
817
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27 PetscFunctionBegin;
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27 PetscCall(PetscNew(&ctx));
820 27 eps->data = (void*)ctx;
821
822 27 ctx->nslices = 0;
823 27 ctx->lmin = PETSC_MIN_REAL;
824 27 ctx->lmax = PETSC_MAX_REAL;
825 27 ctx->dos = EPS_EVSL_DOS_KPM;
826 27 ctx->nvec = 80;
827 27 ctx->deg = 300;
828 27 ctx->steps = 40;
829 27 ctx->npoints = 200;
830 27 ctx->max_deg = 10000;
831 27 ctx->thresh = 0.8;
832 27 ctx->damping = EPS_EVSL_DAMPING_SIGMA;
833
834 27 eps->categ = EPS_CATEGORY_OTHER;
835
836 27 eps->ops->solve = EPSSolve_EVSL;
837 27 eps->ops->setup = EPSSetUp_EVSL;
838 27 eps->ops->setupsort = EPSSetUpSort_Basic;
839 27 eps->ops->setfromoptions = EPSSetFromOptions_EVSL;
840 27 eps->ops->destroy = EPSDestroy_EVSL;
841 27 eps->ops->reset = EPSReset_EVSL;
842 27 eps->ops->view = EPSView_EVSL;
843 27 eps->ops->backtransform = EPSBackTransform_Default;
844 27 eps->ops->setdefaultst = EPSSetDefaultST_NoFactor;
845
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetRange_C",EPSEVSLSetRange_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetRange_C",EPSEVSLGetRange_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetSlices_C",EPSEVSLSetSlices_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetSlices_C",EPSEVSLGetSlices_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetDOSParameters_C",EPSEVSLSetDOSParameters_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetDOSParameters_C",EPSEVSLGetDOSParameters_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetPolParameters_C",EPSEVSLSetPolParameters_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetPolParameters_C",EPSEVSLGetPolParameters_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLSetDamping_C",EPSEVSLSetDamping_EVSL));
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27 PetscCall(PetscObjectComposeFunction((PetscObject)eps,"EPSEVSLGetDamping_C",EPSEVSLGetDamping_EVSL));
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9 PetscFunctionReturn(PETSC_SUCCESS);
857 }
858