Match comparison for Hartree energy (match type 25788)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.172936816000000e+01 | 1.910000000000000e-05 | 4.172936849038461e+01 | 8.460227163701214e-08 | 4.172936849500000e+01 | 1.050000015823116e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 41.72936816, precision: 0.0000191| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2022a_serial_min | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2022a_serial | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2023a_serial_opt | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2023a_serial | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2023b_serial | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2022a_ppc | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_foss-2022a_mpi_min | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_foss-2023a_mpi_min | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_foss-2023a_serial_debug | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2023a_serial_omp | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| spack_foss-2022a_cuda_serial | 4.172936840000000e+01 | 2.399999985414070e-07 | 1.256544494981188e-02 | PASS |
| spack_foss-2023a_mpi_opt | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_foss-2023a_mpi | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_foss-2022a_mpi | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.172936839000000e+01 | 2.299999977140033e-07 | 1.204188469706823e-02 | PASS |
| spack_foss-2023a_mpi_debug | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_foss-2023a_mpi_omp | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| cmake_foss_2022a_min_serial | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| cmake_foss_2022a_full_serial | 4.172936857000000e+01 | 4.099999983964153e-07 | 2.146596850243012e-02 | PASS |
| cmake_foss_2022a_min_mpi | 4.172936860000000e+01 | 4.400000008786265e-07 | 2.303664926066107e-02 | PASS |
| cmake_foss_2022a_full_mpi | 4.172936841000000e+01 | 2.499999993688107e-07 | 1.308900520255553e-02 | PASS |
| spack_intel-2022a_serial_omp | 4.172936859000000e+01 | 4.300000000512227e-07 | 2.251308900791742e-02 | PASS |
| spack_intel-2022a_impi_omp | 4.172936840000000e+01 | 2.399999985414070e-07 | 1.256544494981188e-02 | PASS |
| spack_intel-2023a_serial_omp | 4.172936840000000e+01 | 2.399999985414070e-07 | 1.256544494981188e-02 | PASS |
| spack_intel-2023a_impi | 4.172936858000000e+01 | 4.199999992238190e-07 | 2.198952875517377e-02 | PASS |