diff --git a/src/hamiltonianfilereader.cpp b/src/hamiltonianfilereader.cpp index af0a444b..83c2ded1 100644 --- a/src/hamiltonianfilereader.cpp +++ b/src/hamiltonianfilereader.cpp @@ -22,7 +22,11 @@ void HamiltonianFileReader::receiveHsys(Mat& Ad, Mat& Bd){ MatSetOption(Bd, MAT_NEW_NONZERO_ALLOCATION_ERR, PETSC_FALSE); - // Only rank 0 reads the file and sets all values + // Read and broadcast matrix data + std::vector rows, cols; + std::vector real_vals, imag_vals; + + // Only rank 0 reads the file if (mpirank_world == 0) { std::ifstream infile(hamiltonian_file_Hsys); if (!infile.is_open()) { @@ -36,28 +40,58 @@ void HamiltonianFileReader::receiveHsys(Mat& Ad, Mat& Bd){ PetscInt row, col; double real, imag; if (!(iss >> row >> col >> real >> imag)) continue; - // Assemble: Ad = Real(-i*Hsys) = Imag(Hsys) - // 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); - } else { - // Lindblad: Vectorize I_N \kron X - X^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); - 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); - } - } + rows.push_back(row); + cols.push_back(col); + real_vals.push_back(real); + imag_vals.push_back(imag); } infile.close(); } + + // Broadcast the size and data to all ranks + int num_entries = rows.size(); + MPI_Bcast(&num_entries, 1, MPI_INT, 0, MPI_COMM_WORLD); + + if (mpirank_world != 0) { + rows.resize(num_entries); + cols.resize(num_entries); + real_vals.resize(num_entries); + imag_vals.resize(num_entries); + } + + MPI_Bcast(rows.data(), num_entries, MPIU_INT, 0, MPI_COMM_WORLD); + MPI_Bcast(cols.data(), num_entries, MPIU_INT, 0, MPI_COMM_WORLD); + 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 + for (int i = 0; i < num_entries; i++) { + PetscInt row = rows[i]; + PetscInt col = cols[i]; + double real = real_vals[i]; + double imag = imag_vals[i]; + + // Assemble: Ad = Real(-i*Hsys) = Imag(Hsys) + // 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); + } else { + // Lindblad: Vectorize I_N \kron X - X^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); + 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); + } + } + } + MatAssemblyBegin(Ad, MAT_FINAL_ASSEMBLY); MatAssemblyEnd(Ad, MAT_FINAL_ASSEMBLY); MatAssemblyBegin(Bd, MAT_FINAL_ASSEMBLY); @@ -73,7 +107,11 @@ void HamiltonianFileReader::receiveHc(std::vector& Ac_vec, std::vector MatSetOption(Bc_vec[i], MAT_NEW_NONZERO_ALLOCATION_ERR, PETSC_FALSE); } - // Only rank 0 reads the file and sets all values + // Read and broadcast matrix data + std::vector rows, cols, oscs; + std::vector real_vals, imag_vals; + + // Only rank 0 reads the file if (mpirank_world == 0) { std::ifstream infile(hamiltonian_file_Hc); if (!infile.is_open()) { @@ -88,31 +126,61 @@ void HamiltonianFileReader::receiveHc(std::vector& Ac_vec, std::vector PetscInt row, col; double real, imag; if (!(iss >> osc >> row >> col >> real >> imag)) continue; - // printf("osc %d row %d col %d real %f imag %f\n", osc, row, col, real, imag); - // Assemble: Ac = Real(-i*Hc) = Imag(Hc) - // 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); - } else { - // Lindblad: Vectorize I_N \kron X - X^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); - 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); - } - } + oscs.push_back(osc); + rows.push_back(row); + cols.push_back(col); + real_vals.push_back(real); + imag_vals.push_back(imag); } infile.close(); } - // All ranks participate in assembly for all oscillators + // Broadcast the size and data to all ranks + int num_entries = rows.size(); + MPI_Bcast(&num_entries, 1, MPI_INT, 0, MPI_COMM_WORLD); + + if (mpirank_world != 0) { + rows.resize(num_entries); + cols.resize(num_entries); + oscs.resize(num_entries); + real_vals.resize(num_entries); + imag_vals.resize(num_entries); + } + + MPI_Bcast(rows.data(), num_entries, MPIU_INT, 0, MPI_COMM_WORLD); + MPI_Bcast(cols.data(), num_entries, MPIU_INT, 0, MPI_COMM_WORLD); + MPI_Bcast(oscs.data(), num_entries, MPIU_INT, 0, MPI_COMM_WORLD); + 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 + for (int i = 0; i < num_entries; i++) { + PetscInt row = rows[i]; + PetscInt col = cols[i]; + PetscInt osc = oscs[i]; + double real = real_vals[i]; + double imag = imag_vals[i]; + // Assemble: Ac = Real(-i*Hc) = Imag(Hc) + // 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); + } else { + // Lindblad: Vectorize I_N \kron X - X^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); + 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); + } + } + } + for (size_t i = 0; i < Ac_vec.size(); ++i) { MatAssemblyBegin(Ac_vec[i], MAT_FINAL_ASSEMBLY); MatAssemblyEnd(Ac_vec[i], MAT_FINAL_ASSEMBLY); diff --git a/tests/regression/hamiltonian-reader/base/expected1.iinit0001.dat b/tests/regression/hamiltonian-reader/base/expected1.iinit0001.dat new file mode 100644 index 00000000..fc119652 --- /dev/null +++ b/tests/regression/hamiltonian-reader/base/expected1.iinit0001.dat @@ -0,0 +1,502 @@ +#"time" "expected energy level" +0.00000000 1.00000000000000e+00 +0.02000000 9.99784680688969e-01 +0.04000000 9.99138876280359e-01 +0.06000000 9.98063179561376e-01 +0.08000000 9.96558666315130e-01 +0.10000000 9.94626894453935e-01 +0.12000000 9.92269902619534e-01 +0.14000000 9.89490208250958e-01 +0.16000000 9.86290805121283e-01 +0.18000000 9.82675160345104e-01 +0.20000000 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2.52560467512634e-01 +9.86000000 7.54205275299709e-01 2.45794724800081e-01 +9.88000000 7.60647414998711e-01 2.39352585101281e-01 +9.90000000 7.66759245949229e-01 2.33240754150966e-01 +9.92000000 7.72534440588401e-01 2.27465559511995e-01 +9.94000000 7.77967056000000e-01 2.22032944100599e-01 +9.96000000 7.83051539922611e-01 2.16948460178190e-01 +9.98000000 7.87782736285217e-01 2.12217263815787e-01 +10.00000000 7.92155890264809e-01 2.07844109836397e-01 diff --git a/tests/regression/hamiltonian-reader/hamiltonian-reader.cfg b/tests/regression/hamiltonian-reader/hamiltonian-reader.cfg index ff79fba7..22d6292f 100644 --- a/tests/regression/hamiltonian-reader/hamiltonian-reader.cfg +++ b/tests/regression/hamiltonian-reader/hamiltonian-reader.cfg @@ -8,7 +8,7 @@ selfkerr = 0.0,0.0 crosskerr= 0.0 Jkl= 0.0 collapse_type = none -initialcondition = pure, 0,0 +initialcondition = diagonal control_segments0 = spline, 6 control_initialization0 = constant, 0.0070710678118654745 control_bounds0 = 1000000000000.0