Match comparison for Energy [step 20] (match type 24686)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470792539565124e+01 | 2.470000000000000e-13 | -2.470792539565122e+01 | 3.293642818618810e-14 | -2.470792539565123e+01 | 6.039613253960852e-14 | PASS |
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Detailed information
Reference: -24.70792539565124, precision: 0.000000000000247| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.470792539565129e+01 | -4.973799150320701e-14 | -2.013683866526600e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.470792539565119e+01 | 4.618527782440651e-14 | 1.869849304631843e-01 | PASS |
| spack_foss-2022a_serial | -2.470792539565124e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -2.470792539565119e+01 | 4.973799150320701e-14 | 2.013683866526600e-01 | PASS |
| spack_foss-2022a_serial_min | -2.470792539565124e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -2.470792539565119e+01 | 4.973799150320701e-14 | 2.013683866526600e-01 | PASS |
| spack_foss-2022a_mpi_opt | -2.470792539565119e+01 | 4.973799150320701e-14 | 2.013683866526600e-01 | PASS |
| spack_foss-2022a_serial_opt | -2.470792539565124e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -2.470792539565124e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -2.470792539565124e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.470792539565118e+01 | 6.039613253960852e-14 | 2.445187552210871e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.470792539565117e+01 | 7.105427357601002e-14 | 2.876691237895143e-01 | PASS |
| spack_foss-2022a_mpi_debug | -2.470792539565119e+01 | 4.973799150320701e-14 | 2.013683866526600e-01 | PASS |
| spack_foss-2023a_serial_min | -2.470792539565124e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -2.470792539565123e+01 | 1.065814103640150e-14 | 4.315036856842713e-02 | PASS |
| spack_intel-2023a_serial | -2.470792539565125e+01 | -1.065814103640150e-14 | -4.315036856842713e-02 | PASS |
| spack_intel-2023a_serial_omp | -2.470792539565123e+01 | 1.065814103640150e-14 | 4.315036856842713e-02 | PASS |
| spack_intel-2023a_impi | -2.470792539565128e+01 | -4.263256414560601e-14 | -1.726014742737085e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.470792539565123e+01 | 1.065814103640150e-14 | 4.315036856842713e-02 | PASS |