Match comparison for Benzene Multipoles [step 20] (match type 25755)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
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 | -2.094497166580888e-02 | 7.132563290777165e-15 | -2.094497166581093e-02 | 1.512852343399373e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -0.0209449716657979, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.094497166580787e-02 | -9.967721092962734e-15 | -9.967721092962734e-03 | PASS |
| cmake_foss_2022a_full_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 |
| cmake_foss_2022a_min_serial | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| cmake_foss_2022a_min_mpi | -2.094497166579580e-02 | 2.099015405931937e-15 | 2.099015405931937e-03 | PASS |
| spack_foss-2022a_serial_min | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2022a_serial | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2022a_mpi_min | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| spack_foss-2022a_mpi | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| spack_foss-2023a_mpi_min | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| spack_foss-2023a_mpi | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| spack_foss-2023a_serial | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2023a_mpi_opt | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| spack_foss-2023a_serial_min | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2023a_mpi_debug | -2.094497166580951e-02 | -1.161223894818875e-14 | -1.161223894818875e-02 | PASS |
| spack_foss-2023a_serial_debug | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2023a_serial_opt | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_foss-2023a_serial_omp | -2.094497166581158e-02 | -1.367655988460115e-14 | -1.367655988460115e-02 | PASS |
| spack_foss-2023a_mpi_omp | -2.094497166579954e-02 | -1.641048408274060e-15 | -1.641048408274060e-03 | PASS |
| spack_foss-2023b_serial | -2.094497166580444e-02 | -6.543376951384516e-15 | -6.543376951384516e-03 | PASS |
| spack_intel-2022a_serial_omp | -2.094497166582606e-02 | -2.815803146205553e-14 | -2.815803146205553e-02 | PASS |
| spack_intel-2023a_serial | -2.094497166581735e-02 | -1.944971961265196e-14 | -1.944971961265196e-02 | PASS |
| spack_intel-2023a_serial_omp | -2.094497166582606e-02 | -2.815803146205553e-14 | -2.815803146205553e-02 | PASS |
| spack_intel-2023a_impi | -2.094497166581759e-02 | -1.969258089928871e-14 | -1.969258089928871e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.094497166580343e-02 | -5.526828994462107e-15 | -5.526828994462107e-03 | PASS |
| spack_foss-2022a_cuda_serial | -2.094497166580665e-02 | -8.753414659778969e-15 | -8.753414659778969e-03 | PASS |
| spack_intel-2022a_impi_omp | -2.094497166582131e-02 | -2.341182803178299e-14 | -2.341182803178299e-02 | PASS |