| 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 | static char help[] = "Eigenvalue problem with Bethe-Salpeter structure.\n\n" | ||
| 12 | "The command line options are:\n" | ||
| 13 | " -n <n>, where <n> = dimension of the blocks.\n\n"; | ||
| 14 | |||
| 15 | #include <slepceps.h> | ||
| 16 | |||
| 17 | /* | ||
| 18 | This example computes eigenvalues of a matrix | ||
| 19 | |||
| 20 | H = [ R C | ||
| 21 | -C^H -R^T ], | ||
| 22 | |||
| 23 | where R is Hermitian and C is complex symmetric. In particular, R and C have the | ||
| 24 | following Toeplitz structure: | ||
| 25 | |||
| 26 | R = pentadiag{a,b,c,conj(b),conj(a)} | ||
| 27 | C = tridiag{b,d,b} | ||
| 28 | |||
| 29 | where a,b,d are complex scalars, and c is real. | ||
| 30 | */ | ||
| 31 | |||
| 32 | 314 | int main(int argc,char **argv) | |
| 33 | { | ||
| 34 | 314 | Mat H,R,C; /* problem matrices */ | |
| 35 | 314 | EPS eps; /* eigenproblem solver context */ | |
| 36 | 314 | PetscScalar a,b,c,d; | |
| 37 | 314 | PetscReal lev; | |
| 38 | 314 | PetscInt n=24,Istart,Iend,i,nconv; | |
| 39 | 314 | PetscBool terse,checkorthog; | |
| 40 | 314 | Vec t,*x,*y; | |
| 41 | |||
| 42 |
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314 | PetscFunctionBeginUser; |
| 43 |
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314 | PetscCall(SlepcInitialize(&argc,&argv,NULL,help)); |
| 44 | |||
| 45 |
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314 | PetscCall(PetscOptionsGetInt(NULL,NULL,"-n",&n,NULL)); |
| 46 |
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314 | PetscCall(PetscPrintf(PETSC_COMM_WORLD,"\nBethe-Salpeter eigenproblem, n=%" PetscInt_FMT "\n\n",n)); |
| 47 | |||
| 48 | /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - | ||
| 49 | Compute the problem matrices R and C | ||
| 50 | - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ | ||
| 51 | |||
| 52 | #if defined(PETSC_USE_COMPLEX) | ||
| 53 |
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165 | a = PetscCMPLX(-0.1,0.2); |
| 54 | 165 | b = PetscCMPLX(1.0,0.5); | |
| 55 | 165 | d = PetscCMPLX(2.0,0.2); | |
| 56 | #else | ||
| 57 | 149 | a = -0.1; | |
| 58 | 149 | b = 1.0; | |
| 59 | 149 | d = 2.0; | |
| 60 | #endif | ||
| 61 | 314 | c = 4.5; | |
| 62 | |||
| 63 |
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314 | PetscCall(MatCreate(PETSC_COMM_WORLD,&R)); |
| 64 |
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314 | PetscCall(MatSetSizes(R,PETSC_DECIDE,PETSC_DECIDE,n,n)); |
| 65 |
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314 | PetscCall(MatSetFromOptions(R)); |
| 66 | |||
| 67 |
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314 | PetscCall(MatCreate(PETSC_COMM_WORLD,&C)); |
| 68 |
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314 | PetscCall(MatSetSizes(C,PETSC_DECIDE,PETSC_DECIDE,n,n)); |
| 69 |
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314 | PetscCall(MatSetFromOptions(C)); |
| 70 | |||
| 71 |
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314 | PetscCall(MatGetOwnershipRange(R,&Istart,&Iend)); |
| 72 |
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9578 | for (i=Istart;i<Iend;i++) { |
| 73 |
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9264 | if (i>1) PetscCall(MatSetValue(R,i,i-2,a,INSERT_VALUES)); |
| 74 |
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9264 | if (i>0) PetscCall(MatSetValue(R,i,i-1,b,INSERT_VALUES)); |
| 75 |
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9264 | PetscCall(MatSetValue(R,i,i,c,INSERT_VALUES)); |
| 76 |
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9264 | if (i<n-1) PetscCall(MatSetValue(R,i,i+1,PetscConj(b),INSERT_VALUES)); |
| 77 |
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9264 | if (i<n-2) PetscCall(MatSetValue(R,i,i+2,PetscConj(a),INSERT_VALUES)); |
| 78 | } | ||
| 79 | |||
| 80 |
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314 | PetscCall(MatGetOwnershipRange(C,&Istart,&Iend)); |
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9578 | for (i=Istart;i<Iend;i++) { |
| 82 |
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9264 | if (i>0) PetscCall(MatSetValue(C,i,i-1,b,INSERT_VALUES)); |
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9264 | PetscCall(MatSetValue(C,i,i,d,INSERT_VALUES)); |
| 84 |
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9264 | if (i<n-1) PetscCall(MatSetValue(C,i,i+1,b,INSERT_VALUES)); |
| 85 | } | ||
| 86 | |||
| 87 |
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314 | PetscCall(MatAssemblyBegin(R,MAT_FINAL_ASSEMBLY)); |
| 88 |
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314 | PetscCall(MatAssemblyBegin(C,MAT_FINAL_ASSEMBLY)); |
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314 | PetscCall(MatAssemblyEnd(R,MAT_FINAL_ASSEMBLY)); |
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314 | PetscCall(MatAssemblyEnd(C,MAT_FINAL_ASSEMBLY)); |
| 91 | |||
| 92 |
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314 | PetscCall(MatCreateBSE(R,C,&H)); |
| 93 | |||
| 94 | /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - | ||
| 95 | Create the eigensolver and set various options | ||
| 96 | - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ | ||
| 97 | |||
| 98 |
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314 | PetscCall(EPSCreate(PETSC_COMM_WORLD,&eps)); |
| 99 |
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314 | PetscCall(EPSSetOperators(eps,H,NULL)); |
| 100 |
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314 | PetscCall(EPSSetProblemType(eps,EPS_BSE)); |
| 101 |
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314 | PetscCall(EPSSetFromOptions(eps)); |
| 102 | |||
| 103 | /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - | ||
| 104 | Solve the eigensystem and display solution | ||
| 105 | - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ | ||
| 106 | |||
| 107 |
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314 | PetscCall(EPSSolve(eps)); |
| 108 | |||
| 109 | /* show detailed info unless -terse option is given by user */ | ||
| 110 |
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314 | PetscCall(PetscOptionsHasName(NULL,NULL,"-terse",&terse)); |
| 111 |
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314 | if (terse) PetscCall(EPSErrorView(eps,EPS_ERROR_RELATIVE,NULL)); |
| 112 | else { | ||
| 113 | ✗ | PetscCall(PetscViewerPushFormat(PETSC_VIEWER_STDOUT_WORLD,PETSC_VIEWER_ASCII_INFO_DETAIL)); | |
| 114 | ✗ | PetscCall(EPSConvergedReasonView(eps,PETSC_VIEWER_STDOUT_WORLD)); | |
| 115 | ✗ | PetscCall(EPSErrorView(eps,EPS_ERROR_RELATIVE,PETSC_VIEWER_STDOUT_WORLD)); | |
| 116 | ✗ | PetscCall(PetscViewerPopFormat(PETSC_VIEWER_STDOUT_WORLD)); | |
| 117 | } | ||
| 118 | |||
| 119 | /* check bi-orthogonality */ | ||
| 120 |
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314 | PetscCall(PetscOptionsHasName(NULL,NULL,"-checkorthog",&checkorthog)); |
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314 | PetscCall(EPSGetConverged(eps,&nconv)); |
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314 | if (checkorthog && nconv>0) { |
| 123 |
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231 | PetscCall(MatCreateVecs(H,&t,NULL)); |
| 124 |
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231 | PetscCall(VecDuplicateVecs(t,nconv,&x)); |
| 125 |
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231 | PetscCall(VecDuplicateVecs(t,nconv,&y)); |
| 126 |
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3623 | for (i=0;i<nconv;i++) { |
| 127 |
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3392 | PetscCall(EPSGetEigenvector(eps,i,x[i],NULL)); |
| 128 |
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3392 | PetscCall(EPSGetLeftEigenvector(eps,i,y[i],NULL)); |
| 129 | } | ||
| 130 |
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231 | PetscCall(VecCheckOrthogonality(x,nconv,y,nconv,NULL,NULL,&lev)); |
| 131 |
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231 | if (lev<100*PETSC_MACHINE_EPSILON) PetscCall(PetscPrintf(PETSC_COMM_WORLD," Level of bi-orthogonality of eigenvectors < 100*eps\n\n")); |
| 132 | ✗ | else PetscCall(PetscPrintf(PETSC_COMM_WORLD," Level of bi-orthogonality of eigenvectors: %g\n\n",(double)lev)); | |
| 133 |
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231 | PetscCall(VecDestroy(&t)); |
| 134 |
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231 | PetscCall(VecDestroyVecs(nconv,&x)); |
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231 | PetscCall(VecDestroyVecs(nconv,&y)); |
| 136 | } | ||
| 137 | |||
| 138 |
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314 | PetscCall(EPSDestroy(&eps)); |
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314 | PetscCall(MatDestroy(&R)); |
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314 | PetscCall(MatDestroy(&C)); |
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314 | PetscCall(MatDestroy(&H)); |
| 142 |
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314 | PetscCall(SlepcFinalize()); |
| 143 | return 0; | ||
| 144 | } | ||
| 145 | |||
| 146 | /*TEST | ||
| 147 | |||
| 148 | testset: | ||
| 149 | args: -eps_nev 4 -eps_ncv 16 -eps_krylovschur_bse_type {{shao gruning projectedbse}} -terse -checkorthog | ||
| 150 | filter: sed -e "s/17496/17495/g" | sed -e "s/38566/38567/g" | ||
| 151 | nsize: {{1 2}} | ||
| 152 | test: | ||
| 153 | suffix: 1 | ||
| 154 | requires: complex | ||
| 155 | test: | ||
| 156 | suffix: 1_real | ||
| 157 | requires: !complex | ||
| 158 | test: | ||
| 159 | suffix: 1_dense | ||
| 160 | args: -mat_type dense | ||
| 161 | requires: complex | ||
| 162 | output_file: output/ex55_1.out | ||
| 163 | test: | ||
| 164 | suffix: 1_cuda | ||
| 165 | args: -mat_type aijcusparse | ||
| 166 | requires: cuda complex | ||
| 167 | output_file: output/ex55_1.out | ||
| 168 | test: | ||
| 169 | suffix: 1_real_cuda | ||
| 170 | args: -mat_type aijcusparse | ||
| 171 | requires: cuda !complex | ||
| 172 | output_file: output/ex55_1_real.out | ||
| 173 | test: | ||
| 174 | suffix: 1_hip | ||
| 175 | args: -mat_type aijhipsparse | ||
| 176 | requires: hip complex | ||
| 177 | output_file: output/ex55_1.out | ||
| 178 | test: | ||
| 179 | suffix: 1_real_hip | ||
| 180 | args: -mat_type aijhipsparse | ||
| 181 | requires: hip !complex | ||
| 182 | output_file: output/ex55_1_real.out | ||
| 183 | |||
| 184 | testset: | ||
| 185 | args: -eps_nev 4 -eps_ncv 16 -eps_krylovschur_bse_type {{shao gruning projectedbse}} -st_type sinvert -terse | ||
| 186 | filter: sed -e "s/17496/17495/g" | sed -e "s/38566/38567/g" | ||
| 187 | test: | ||
| 188 | suffix: 1_sinvert | ||
| 189 | requires: complex | ||
| 190 | test: | ||
| 191 | nsize: 4 | ||
| 192 | args: -mat_type scalapack | ||
| 193 | suffix: 1_sinvert_scalapack | ||
| 194 | requires: complex scalapack !__float128 | ||
| 195 | output_file: output/ex55_1_sinvert.out | ||
| 196 | test: | ||
| 197 | suffix: 1_real_sinvert | ||
| 198 | requires: !complex | ||
| 199 | test: | ||
| 200 | nsize: 4 | ||
| 201 | args: -mat_type scalapack | ||
| 202 | suffix: 1_real_sinvert_scalapack | ||
| 203 | requires: !complex scalapack !__float128 | ||
| 204 | output_file: output/ex55_1_real_sinvert.out | ||
| 205 | |||
| 206 | testset: | ||
| 207 | args: -n 90 -eps_threshold_absolute 2.5 -eps_ncv {{10 24}} -eps_krylovschur_bse_type {{shao gruning projectedbse}} -eps_tol 1e-14 -terse -checkorthog | ||
| 208 | test: | ||
| 209 | suffix: 2 | ||
| 210 | requires: double complex | ||
| 211 | test: | ||
| 212 | suffix: 2_real | ||
| 213 | requires: double !complex | ||
| 214 | |||
| 215 | testset: | ||
| 216 | args: -eps_nev 28 -eps_ncv 18 -terse | ||
| 217 | test: | ||
| 218 | suffix: 3 | ||
| 219 | requires: !complex !single | ||
| 220 | |||
| 221 | TEST*/ | ||
| 222 |