Match comparison for Exchange energy (match type 28371)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.519434432999999e+01 | 9.500000000000000e-07 | -7.519434419714285e+01 | 1.384056441779083e-07 | -7.519434434000000e+01 | 2.799999947455944e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -75.19434432999999, precision: 0.00000095| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -7.519434436000000e+01 | -3.000000958763849e-08 | -3.157895746067209e-02 | PASS |
| cmake_foss_2022a_full_mpi | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| cmake_foss_2022a_full_serial | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| cmake_foss_2022a_min_serial | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| cmake_foss_2022a_min_mpi | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2022a_cuda_serial | -7.519434462000000e+01 | -2.900000026784255e-07 | -3.052631607141321e-01 | PASS |
| spack_foss-2022a_serial | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2022a_serial_min | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2022a_mpi_min | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2022a_mpi | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -7.519434462000000e+01 | -2.900000026784255e-07 | -3.052631607141321e-01 | PASS |
| spack_foss-2023a_mpi_min | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023a_mpi | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023a_serial | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023a_serial_min | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023a_mpi_opt | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023a_serial_opt | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023a_serial_debug | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023b_serial | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |
| spack_foss-2023a_serial_omp | -7.519434416000000e+01 | 1.699999927495810e-07 | 1.789473607890326e-01 | PASS |
| spack_foss-2023a_mpi_omp | -7.519434416000000e+01 | 1.699999927495810e-07 | 1.789473607890326e-01 | PASS |
| spack_intel-2023a_serial | -7.519434406000001e+01 | 2.699999868127634e-07 | 2.842105124344877e-01 | PASS |
| spack_intel-2022a_serial_omp | -7.519434433000001e+01 | -1.421085471520200e-14 | -1.495879443705474e-08 | PASS |
| spack_intel-2023a_impi | -7.519434406000001e+01 | 2.699999868127634e-07 | 2.842105124344877e-01 | PASS |
| spack_intel-2023a_serial_omp | -7.519434432000000e+01 | 9.999993721976352e-09 | 1.052630918102774e-02 | PASS |
| spack_intel-2022a_impi_omp | -7.519434433000001e+01 | -1.421085471520200e-14 | -1.495879443705474e-08 | PASS |
| spack_foss-2023a_valgrind | -7.519434412000000e+01 | 2.099999960591958e-07 | 2.210526274307325e-01 | PASS |
| spack_foss-2023a_mpi_debug | -7.519434414000000e+01 | 1.899999944043884e-07 | 1.999999941098825e-01 | PASS |