Match comparison for Total energy (match type 28345)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 09-basis_from_states.03-intersite.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.175832407999999e+01 | 2.090000000000000e-07 | -4.175832408684210e+01 | 4.648295577409183e-09 | -4.175832408500000e+01 | 5.000000413701855e-09 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -41.758324079999994, precision: 0.000000209| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_cuda_serial | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_serial | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_mpi | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_serial_min | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_mpi_min | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_mpi_opt | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_serial_opt | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_serial_debug | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2023a_serial | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2023a_serial_omp | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| spack_foss-2022a_mpi_debug | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_foss-2023a_serial_min | -4.175832409000000e+01 | -1.000000793283107e-08 | -4.784692790828262e-02 | PASS |
| spack_intel-2022a_serial_omp | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| spack_intel-2023a_serial | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| spack_intel-2023a_serial_omp | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| spack_intel-2023a_impi | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |
| spack_intel-2022a_impi_omp | -4.175832408000000e+01 | -7.105427357601002e-15 | -3.399726008421532e-08 | PASS |