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Bugfix: Hamiltonian reader for Petsc-parallel Lindblad solver #78

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Merged
merged 3 commits into from
Jul 28, 2025
Merged

Bugfix: Hamiltonian reader for Petsc-parallel Lindblad solver #78

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038b852
Bugfix: Hamiltonian reader Lindblad case add values rather than insert.
steffi7574 Jul 23, 2025
71650e2
Also change Hc to Lindblad matrices from file.
steffi7574 Jul 23, 2025
a98f8ca
Adding testcase for hamiltonian reader with lindblad solver.
steffi7574 Jul 24, 2025
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40 changes: 24 additions & 16 deletions src/hamiltonianfilereader.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -64,7 +64,9 @@ void HamiltonianFileReader::receiveHsys(Mat& Ad, Mat& Bd){
MPI_Bcast(real_vals.data(), num_entries, MPI_DOUBLE, 0, MPI_COMM_WORLD);
MPI_Bcast(imag_vals.data(), num_entries, MPI_DOUBLE, 0, MPI_COMM_WORLD);

// Now all ranks set the values
// Now all ranks set their local values
PetscInt ilow, iupp;
MatGetOwnershipRange(Ad, &ilow, &iupp);
for (int i = 0; i < num_entries; i++) {
PetscInt row = rows[i];
PetscInt col = cols[i];
Expand All @@ -75,19 +77,21 @@ void HamiltonianFileReader::receiveHsys(Mat& Ad, Mat& Bd){
// Assemble: Bd = Imag(-i*Hsys) = -Real(Hsys)
if (lindbladtype == LindbladType::NONE) {
// Schroedinger
if (fabs(imag) > 1e-15) MatSetValue(Ad, row, col, imag, INSERT_VALUES);
if (fabs(real) > 1e-15) MatSetValue(Bd, row, col, -real, INSERT_VALUES);
if (fabs(imag) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Ad, row, col, imag, INSERT_VALUES);
if (fabs(real) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Bd, row, col, -real, INSERT_VALUES);
} else {
// Lindblad: Vectorize I_N \kron X - X^T \kron I_N
// Lindblad:
// Vectorized Ad = Real(I_N \kron (-iH) - (-iH)^T \kron I_N) = I_N \kron Im(Hsys) - Im(Hsys)^T \kron I_N
// Vectorized Bd = Imag(I_N \kron (-iH) - (-iH)^T \kron I_N) = - I_n \kron Real(Hsys) + Real(Hsys)^T \kron I_N
for (PetscInt k = 0; k < dim_rho; k++) {
PetscInt rowk = row + dim_rho * k;
PetscInt colk = col + dim_rho * k;
if (fabs(imag) > 1e-15) MatSetValue(Ad, rowk, colk, imag, INSERT_VALUES);
if (fabs(real) > 1e-15) MatSetValue(Bd, rowk, colk, -real, INSERT_VALUES);
if (fabs(imag) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Ad, rowk, colk, imag, ADD_VALUES);
if (fabs(real) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Bd, rowk, colk, -real, ADD_VALUES);
rowk = col * dim_rho + k;
colk = row * dim_rho + k;
if (fabs(imag) > 1e-15) MatSetValue(Ad, rowk, colk, -imag, INSERT_VALUES);
if (fabs(real) > 1e-15) MatSetValue(Bd, rowk, colk, real, INSERT_VALUES);
if (fabs(imag) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Ad, rowk, colk, -imag, ADD_VALUES);
if (fabs(real) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Bd, rowk, colk, real, ADD_VALUES);
Comment on lines +89 to +94
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should you check rowk instead of row in the if statements since this is what is being set in the matrices?

}
}
}
Expand Down Expand Up @@ -153,7 +157,9 @@ void HamiltonianFileReader::receiveHc(std::vector<Mat>& Ac_vec, std::vector<Mat>
MPI_Bcast(real_vals.data(), num_entries, MPI_DOUBLE, 0, MPI_COMM_WORLD);
MPI_Bcast(imag_vals.data(), num_entries, MPI_DOUBLE, 0, MPI_COMM_WORLD);

// Now all ranks set the values
// Now all ranks set their local values
PetscInt ilow, iupp;
MatGetOwnershipRange(Ac_vec[0], &ilow, &iupp);
for (int i = 0; i < num_entries; i++) {
PetscInt row = rows[i];
PetscInt col = cols[i];
Expand All @@ -164,19 +170,21 @@ void HamiltonianFileReader::receiveHc(std::vector<Mat>& Ac_vec, std::vector<Mat>
// Assemble: Bc = Imag(-i*Hc) = -Real(Hc)
if (lindbladtype == LindbladType::NONE) {
// Schroedinger
if (fabs(imag) > 1e-15) MatSetValue(Ac_vec[osc], row, col, imag, INSERT_VALUES);
if (fabs(real) > 1e-15) MatSetValue(Bc_vec[osc], row, col, -real, INSERT_VALUES);
if (fabs(imag) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Ac_vec[osc], row, col, imag, ADD_VALUES);
if (fabs(real) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Bc_vec[osc], row, col, -real, ADD_VALUES);
} else {
// Lindblad: Vectorize I_N \kron X - X^T \kron I_N
// Lindblad:
// Vectorized Ac = Real(I_N \kron (-iH) - (-iH)^T \kron I_N) = I_N \kron Im(Hsys) - Im(Hsys)^T \kron I_N
// Vectorized Bc = Imag(I_N \kron (-iH) - (-iH)^T \kron I_N) = - I_n \kron Real(Hsys) + Real(Hsys)^T \kron I_N
for (PetscInt k = 0; k < dim_rho; k++) {
PetscInt rowk = row + dim_rho * k;
PetscInt colk = col + dim_rho * k;
if (fabs(imag) > 1e-15) MatSetValue(Ac_vec[osc], rowk, colk, imag, INSERT_VALUES);
if (fabs(real) > 1e-15) MatSetValue(Bc_vec[osc], rowk, colk, -real, INSERT_VALUES);
if (fabs(imag) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Ac_vec[osc], rowk, colk, imag, ADD_VALUES);
if (fabs(real) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Bc_vec[osc], rowk, colk, -real, ADD_VALUES);
rowk = col * dim_rho + k;
colk = row * dim_rho + k;
if (fabs(imag) > 1e-15) MatSetValue(Ac_vec[osc], rowk, colk, -imag, INSERT_VALUES);
if (fabs(real) > 1e-15) MatSetValue(Bc_vec[osc], rowk, colk, real, INSERT_VALUES);
if (fabs(imag) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Ac_vec[osc], rowk, colk, -imag, ADD_VALUES);
if (fabs(real) > 1e-15 && ilow <= row && row < iupp) MatSetValue(Bc_vec[osc], rowk, colk, real, ADD_VALUES);
}
}
}
Expand Down
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