Match comparison for Benzene Multipoles [step 20] (match type 25755)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094497166579790e-02 | 1.000000000000000e-12 | -2.094497166580827e-02 | 7.963819298865415e-15 | -2.094497166580672e-02 | 1.362972235074977e-14 | PASS |
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Detailed information
Reference: -0.0209449716657979, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -2.094497166582012e-02 | -2.222527717421485e-14 | -2.222527717421485e-02 | PASS |
| cmake_foss_2022a_full_serial | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| cmake_foss_2022a_min_serial | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| cmake_foss_2022a_full_mpi | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| eb_fosscuda-2022a | -2.094497166581226e-02 | -1.436004093413601e-14 | -1.436004093413601e-02 | PASS |
| cmake_foss_2022a_min_mpi | -2.094497166579580e-02 | 2.099015405931937e-15 | 2.099015405931937e-03 | PASS |
| eb_foss-2022a_debug | -2.094497166580284e-02 | -4.937023012629993e-15 | -4.937023012629993e-03 | PASS |
| eb_foss-2022b_libxc6 | -2.094497166581003e-02 | -1.213265599098179e-14 | -1.213265599098179e-02 | PASS |
| eb_intel-2022a | -2.094497166581859e-02 | -2.068831217449940e-14 | -2.068831217449940e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.094497166579696e-02 | 9.402201239794294e-16 | 9.402201239794294e-04 | PASS |
| intel-2022b | -2.094497166581859e-02 | -2.068831217449940e-14 | -2.068831217449940e-02 | PASS |
| eb_intel-2022a_omp | -2.094497166582035e-02 | -2.245426067304379e-14 | -2.245426067304379e-02 | PASS |
| eb_foss-2022a_mpi_debug | -2.094497166580135e-02 | -3.448630270241893e-15 | -3.448630270241893e-03 | PASS |
| eb_intel-2022a_impi | -2.094497166581784e-02 | -1.994238107982937e-14 | -1.994238107982937e-02 | PASS |
| spack_foss-2022a_serial | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2022a_mpi | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094497166580343e-02 | -5.526828994462107e-15 | -5.526828994462107e-03 | PASS |
| spack_foss-2022a_serial_min | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| intel-2022b_impi | -2.094497166581784e-02 | -1.994238107982937e-14 | -1.994238107982937e-02 | PASS |
| spack_foss-2022a_serial_debug | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2022a_serial_omp | -2.094497166579309e-02 | 4.805184028455756e-15 | 4.805184028455756e-03 | PASS |
| spack_foss-2022a_serial_opt | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2022a_mpi_omp | -2.094497166580517e-02 | -7.275430258246729e-15 | -7.275430258246729e-03 | PASS |
| eb_intel-2022a_omp_impi | -2.094497166581853e-02 | -2.062933157631619e-14 | -2.062933157631619e-02 | PASS |