Match comparison for Total energy (match type 23857)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.517340551900000e+02 | 5.000000000000000e-06 | -2.517340555073077e+02 | 5.119837517173993e-07 | -2.517340556500000e+02 | 8.299999905148070e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -251.73405518999996, precision: 0.000005| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| spack_foss-2022a_serial_min | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| spack_foss-2022a_serial | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| spack_foss-2023a_serial | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| spack_foss-2023b_serial | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| spack_foss-2022a_ppc | -2.517340561000000e+02 | -9.100000397666008e-07 | -1.820000079533201e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| spack_foss-2023a_serial_omp | -2.517340560600000e+02 | -8.700000364569860e-07 | -1.740000072913972e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.517340562100000e+02 | -1.020000041762614e-06 | -2.040000083525228e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| spack_foss-2023a_mpi | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| spack_foss-2022a_mpi | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.517340564800000e+02 | -1.290000028575378e-06 | -2.580000057150755e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.517340553700000e+02 | -1.800000291041215e-07 | -3.600000582082430e-02 | PASS |
| cmake_foss_2022a_min_serial | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| cmake_foss_2022a_full_serial | -2.517340549600000e+02 | 2.299999550814391e-07 | 4.599999101628782e-02 | PASS |
| cmake_foss_2022a_min_mpi | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.517340558400000e+02 | -6.500000324649591e-07 | -1.300000064929918e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.517340548200000e+02 | 3.699999524542363e-07 | 7.399999049084727e-02 | PASS |
| spack_intel-2022a_impi_omp | -2.517340561200000e+02 | -9.300000272105535e-07 | -1.860000054421107e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.517340550100000e+02 | 1.799999722607026e-07 | 3.599999445214053e-02 | PASS |
| spack_intel-2023a_impi | -2.517340556600000e+02 | -4.700000317825470e-07 | -9.400000635650939e-02 | PASS |