Match comparison for Energy [step 10] (match type 14082)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.790950309455620e+01 | 1.900000000000000e-12 | -3.790950309455622e+01 | 6.246971811252058e-14 | -3.790950309455619e+01 | 1.527666881884215e-13 | PASS |
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Detailed information
Reference: -37.9095030945562, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2023a_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_ppc | -3.790950309455618e+01 | 2.131628207280301e-14 | 1.121909582779106e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.790950309455634e+01 | -1.421085471520200e-13 | -7.479397218527370e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_foss-2023a_mpi_min | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| cmake_foss_2022a_full_mpi | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_foss-2023a_mpi_opt | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_foss-2023a_serial_debug | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_mpi | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_foss-2023a_mpi | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| cmake_foss_2022a_min_mpi | -3.790950309455621e+01 | -7.105427357601002e-15 | -3.739698609263685e-03 | PASS |
| cmake_foss_2022a_min_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.790950309455618e+01 | 2.131628207280301e-14 | 1.121909582779106e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.790950309455621e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_foss-2023a_mpi_omp | -3.790950309455623e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2023a_serial_min | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2023b_serial | -3.790950309455626e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.790950309455625e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_intel-2023a_serial | -3.790950309455627e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.790950309455614e+01 | 6.394884621840902e-14 | 3.365728748337317e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.790950309455614e+01 | 6.394884621840902e-14 | 3.365728748337317e-02 | PASS |
| spack_intel-2023a_impi | -3.790950309455604e+01 | 1.634248292248230e-13 | 8.601306801306476e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.790950309455609e+01 | 1.136868377216160e-13 | 5.983517774821896e-02 | PASS |