Match comparison for Forces [step 1] (match type 22544)
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.422367890290800e-02 | 2.910000000000000e-14 | -1.422367890291496e-02 | 3.947271183193647e-15 | -1.422367890291609e-02 | 6.106226635438361e-15 | PASS |
Checks for this match
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Detailed information
Reference: -0.014223678902908, precision: 0.0000000000000291| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_foss-2023a_serial_min | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| spack_foss-2023a_serial | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_foss-2023b_serial | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_foss-2022a_ppc | -1.422367890291643e-02 | -8.425551922819352e-15 | -2.895378667635516e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.422367890291532e-02 | -7.315328898194196e-15 | -2.513858727901785e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.422367890292220e-02 | -1.419871165087017e-14 | -4.879282354250917e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.422367890291265e-02 | -4.650793639093820e-15 | -1.598210872540832e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.422367890291265e-02 | -4.650793639093820e-15 | -1.598210872540832e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.422367890291265e-02 | -4.650793639093820e-15 | -1.598210872540832e-01 | PASS |
| spack_foss-2023a_mpi | -1.422367890291532e-02 | -7.315328898194196e-15 | -2.513858727901785e-01 | PASS |
| spack_intel-2023a_impi | -1.422367890292020e-02 | -1.220031020654488e-14 | -4.192546462730201e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.422367890291532e-02 | -7.315328898194196e-15 | -2.513858727901785e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.422367890292220e-02 | -1.419871165087017e-14 | -4.879282354250917e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.422367890291465e-02 | -6.649195083419102e-15 | -2.284946764061547e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| cmake_foss_2022a_full_serial | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| cmake_foss_2022a_min_mpi | -1.422367890291332e-02 | -5.316927453868914e-15 | -1.827122836381070e-01 | PASS |
| spack_foss-2022a_serial | -1.422367890291154e-02 | -3.540570614468663e-15 | -1.216690932807101e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.422367890291532e-02 | -7.315328898194196e-15 | -2.513858727901785e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.422367890291931e-02 | -1.131213178684476e-14 | -3.887330510943217e-01 | PASS |
| spack_intel-2023a_serial | -1.422367890292109e-02 | -1.308848862624501e-14 | -4.497762414517186e-01 | PASS |
| spack_foss-2022a_mpi | -1.422367890291532e-02 | -7.315328898194196e-15 | -2.513858727901785e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.422367890292220e-02 | -1.419871165087017e-14 | -4.879282354250917e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.422367890291865e-02 | -1.064599797206967e-14 | -3.658418547102978e-01 | PASS |