diff --git a/src/hamiltonianfilereader.cpp b/src/hamiltonianfilereader.cpp index 83c2ded1..74891849 100644 --- a/src/hamiltonianfilereader.cpp +++ b/src/hamiltonianfilereader.cpp @@ -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]; @@ -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); } } } @@ -153,7 +157,9 @@ void HamiltonianFileReader::receiveHc(std::vector& Ac_vec, std::vector 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]; @@ -164,19 +170,21 @@ void HamiltonianFileReader::receiveHc(std::vector& Ac_vec, std::vector // 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); } } } diff --git a/tests/regression/hamiltonian-reader-lindblad/base/population0.iinit0000.dat b/tests/regression/hamiltonian-reader-lindblad/base/population0.iinit0000.dat new file mode 100644 index 00000000..90340230 --- /dev/null +++ b/tests/regression/hamiltonian-reader-lindblad/base/population0.iinit0000.dat 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5.57696151464239e-01 4.42303848535761e-01 +9.56000000 5.62102395649794e-01 4.37897604350206e-01 +9.58000000 5.66407019798749e-01 4.33592980201252e-01 +9.60000000 5.70605681344297e-01 4.29394318655704e-01 +9.62000000 5.74694177804833e-01 4.25305822195168e-01 +9.64000000 5.78668450961361e-01 4.21331549038639e-01 +9.66000000 5.82524590840765e-01 4.17475409159235e-01 +9.68000000 5.86258839500904e-01 4.13741160499096e-01 +9.70000000 5.89867594613794e-01 4.10132405386207e-01 +9.72000000 5.93347412843431e-01 4.06652587156569e-01 +9.74000000 5.96695013015111e-01 4.03304986984890e-01 +9.76000000 5.99907279073363e-01 4.00092720926638e-01 +9.78000000 6.02981262825983e-01 3.97018737174018e-01 +9.80000000 6.05914186471880e-01 3.94085813528120e-01 +9.82000000 6.08703444910809e-01 3.91296555089191e-01 +9.84000000 6.11346607833337e-01 3.88653392166664e-01 +9.86000000 6.13841421589704e-01 3.86158578410296e-01 +9.88000000 6.16185810836555e-01 3.83814189163446e-01 +9.90000000 6.18377879960790e-01 3.81622120039211e-01 +9.92000000 6.20415914280141e-01 3.79584085719860e-01 +9.94000000 6.22298381020315e-01 3.77701618979686e-01 +9.96000000 6.24023930068906e-01 3.75976069931094e-01 +9.98000000 6.25591394506537e-01 3.74408605493463e-01 +10.00000000 6.26999790916002e-01 3.73000209083998e-01 diff --git a/tests/regression/hamiltonian-reader-lindblad/hamiltonian-reader-lindblad.cfg b/tests/regression/hamiltonian-reader-lindblad/hamiltonian-reader-lindblad.cfg new file mode 100644 index 00000000..cf306fc0 --- /dev/null +++ b/tests/regression/hamiltonian-reader-lindblad/hamiltonian-reader-lindblad.cfg @@ -0,0 +1,51 @@ +nlevels = 2,2 +nessential= 2,2 +ntime = 500 +dt = 0.02 +transfreq = 4.10595 +rotfreq= 0.0,0.0 +selfkerr = 0.0,0.0 +crosskerr= 0.0 +Jkl= 0.0 +collapse_type = both +decay_time = 10.0, 20.0 +dephase_time = 30.0, 40.0 +initialcondition = diagonal +control_segments0 = spline, 6 +control_initialization0 = constant, 0.0070710678118654745 +control_bounds0 = 1000000000000.0 +carrier_frequency0 = 0.0, +control_segments1 = spline, 6 +control_initialization1 = constant, 0.0070710678118654745 +control_bounds1 = 1000000000000.0 +carrier_frequency1 = 0.0, +control_enforceBC = False +optim_target = gate, cnot +optim_objective = Jtrace +gate_rot_freq = 0.0, 0.0, +optim_weights= 1.0 +optim_atol= 1e-4 +optim_rtol= 1e-4 +optim_ftol= 0.0001 +optim_inftol= 1e-05 +optim_maxiter= 200 +optim_regul= 0.0001 +optim_regul_interpolate=False +optim_penalty= 0.1 +optim_penalty_param= 0.0 +optim_penalty_dpdm= 0.0 +optim_penalty_variation= 0.0 +optim_penalty_energy= 0.0 +datadir= ./data_out +output0=population +output1=population +output_frequency = 1 +optim_monitor_frequency = 1 +runtype = simulation +usematfree = False +linearsolver_type = gmres +linearsolver_maxiter = 20 +hamiltonian_file_Hsys= hamiltonian_Hsys.dat +hamiltonian_file_Hc= hamiltonian_Hc.dat +timestepper = IMR +rand_seed = 1234 diff --git a/tests/regression/hamiltonian-reader-lindblad/hamiltonian_Hc.dat b/tests/regression/hamiltonian-reader-lindblad/hamiltonian_Hc.dat new file mode 100644 index 00000000..22e42ec4 --- /dev/null +++ b/tests/regression/hamiltonian-reader-lindblad/hamiltonian_Hc.dat @@ -0,0 +1,32 @@ +# oscillator row col Hc_real Hc_imag +0 0 1 1.1740624153759e-01 -2.8741832819747e-01 +0 0 2 3.6641984891008e-01 -7.9612386397237e-02 +0 0 3 4.7421123749720e-01 -9.9391191459120e-01 +0 1 0 1.1740624153759e-01 2.8741832819747e-01 +0 1 1 -4.8080031672455e-01 0.0000000000000e+00 +0 1 2 -2.5722819103933e-01 -1.6270033324307e+00 +0 1 3 8.6366782098532e-02 1.0557077208932e+00 +0 2 0 3.6641984891008e-01 7.9612386397237e-02 +0 2 1 -2.5722819103933e-01 1.6270033324307e+00 +0 2 2 -7.7870237401343e-01 0.0000000000000e+00 +0 2 3 1.6690830130600e-01 -3.0792436450983e-01 +0 3 0 4.7421123749720e-01 9.9391191459120e-01 +0 3 1 8.6366782098532e-02 -1.0557077208932e+00 +0 3 2 1.6690830130600e-01 3.0792436450983e-01 +0 3 3 -4.2049833978664e-01 0.0000000000000e+00 +# oscillator row col Hc_real Hc_imag +1 0 1 2.3481248307518e-01 -3.8322443759662e-01 +1 0 2 7.3283969782015e-01 -1.0614984852965e-01 +1 0 3 9.4842247499441e-01 -1.3252158861216e+00 +1 1 0 2.3481248307518e-01 3.8322443759662e-01 +1 1 1 -9.6160063344910e-01 0.0000000000000e+00 +1 1 2 -5.1445638207866e-01 -2.1693377765743e+00 +1 1 3 1.7273356419706e-01 1.4076102945243e+00 +1 2 0 7.3283969782015e-01 1.0614984852965e-01 +1 2 1 -5.1445638207866e-01 2.1693377765743e+00 +1 2 2 -1.5574047480269e+00 0.0000000000000e+00 +1 2 3 3.3381660261201e-01 -4.1056581934644e-01 +1 3 0 9.4842247499441e-01 1.3252158861216e+00 +1 3 1 1.7273356419706e-01 -1.4076102945243e+00 +1 3 2 3.3381660261201e-01 4.1056581934644e-01 +1 3 3 -8.4099667957329e-01 0.0000000000000e+00 diff --git a/tests/regression/hamiltonian-reader-lindblad/hamiltonian_Hsys.dat b/tests/regression/hamiltonian-reader-lindblad/hamiltonian_Hsys.dat new file mode 100644 index 00000000..613bf598 --- /dev/null +++ b/tests/regression/hamiltonian-reader-lindblad/hamiltonian_Hsys.dat @@ -0,0 +1,16 @@ +# row col Hsys_real Hsys_imag +0 1 1.0673294685235e-01 -8.7096463090142e-02 +0 2 3.3310895355461e-01 -2.4124965574920e-02 +0 3 4.3110112499746e-01 -3.0118542866400e-01 +1 0 1.0673294685235e-01 8.7096463090142e-02 +1 1 -4.3709119702232e-01 0.0000000000000e+00 +1 2 -2.3384381003576e-01 -4.9303131285780e-01 +1 3 7.8515256453211e-02 3.1991143057369e-01 +2 0 3.3310895355461e-01 2.4124965574920e-02 +2 1 -2.3384381003576e-01 4.9303131285780e-01 +2 2 -7.0791124910312e-01 0.0000000000000e+00 +2 3 1.5173481936909e-01 -9.3310413487827e-02 +3 0 4.3110112499746e-01 3.0118542866400e-01 +3 1 7.8515256453211e-02 -3.1991143057369e-01 +3 2 1.5173481936909e-01 9.3310413487827e-02 +3 3 -3.8227121798786e-01 0.0000000000000e+00 diff --git a/tests/regression/test_cases.json b/tests/regression/test_cases.json index 25b93980..6cb22e29 100644 --- a/tests/regression/test_cases.json +++ b/tests/regression/test_cases.json @@ -158,5 +158,16 @@ "number_of_processes": [ 1, 4 ] + }, + { + "simulation_name": "hamiltonian-reader-lindblad", + "files_to_compare": [ + "population*.dat", + "optim_history.dat" + ], + "number_of_processes": [ + 1, 8 + ] } + ]