Match comparison for Total energy (match type 28367)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.228807026000000e+02 | 1.800000000000000e-06 | -2.228807026050000e+02 | 7.397015188666650e-07 | -2.228807027300000e+02 | 1.490000002490888e-06 | 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: -222.8807026, precision: 0.0000018| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| cmake_foss_2022a_min_serial | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| cmake_foss_2022a_min_mpi | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2022a_serial_min | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2022a_serial | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2022a_mpi_min | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2022a_mpi | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2023a_mpi_min | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2023a_mpi | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2023a_serial | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2023a_mpi_opt | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2023a_serial_min | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_foss-2023a_serial_omp | -2.228807024500000e+02 | 1.500000053056283e-07 | 8.333333628090461e-02 | PASS |
| spack_foss-2023a_mpi_omp | -2.228807024500000e+02 | 1.500000053056283e-07 | 8.333333628090461e-02 | PASS |
| spack_foss-2023b_serial | -2.228807025400000e+02 | 6.000001917527698e-08 | 3.333334398626499e-02 | PASS |
| spack_intel-2022a_serial_omp | -2.228807012400000e+02 | 1.359999998840067e-06 | 7.555555549111482e-01 | PASS |
| spack_intel-2023a_serial | -2.228807036700000e+02 | -1.069999996161641e-06 | -5.944444423120230e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.228807012600000e+02 | 1.340000011396114e-06 | 7.444444507756190e-01 | PASS |
| spack_intel-2023a_impi | -2.228807036700000e+02 | -1.069999996161641e-06 | -5.944444423120230e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.228807042200000e+02 | -1.620000006141709e-06 | -9.000000034120603e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.228807042200000e+02 | -1.620000006141709e-06 | -9.000000034120603e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.228807012400000e+02 | 1.359999998840067e-06 | 7.555555549111482e-01 | PASS |