Match comparison for Exchange energy (match type 28511)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.775870298000000e+01 | 1.390000000000000e-06 | -2.775870322851852e+01 | 1.336026087885204e-07 | -2.775870332500000e+01 | 2.850000004883668e-07 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -27.75870298, precision: 0.00000139| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.775870338000000e+01 | -4.000000011217253e-07 | -2.877697849796585e-01 | PASS |
| spack_foss-2023a_serial_min | -2.775870304000000e+01 | -6.000000141170858e-08 | -4.316546864151696e-02 | PASS |
| spack_foss-2023a_serial_opt | -2.775870304000000e+01 | -6.000000141170858e-08 | -4.316546864151696e-02 | PASS |
| spack_foss-2023a_serial | -2.775870304000000e+01 | -6.000000141170858e-08 | -4.316546864151696e-02 | PASS |
| spack_foss-2023b_serial | -2.775870304000000e+01 | -6.000000141170858e-08 | -4.316546864151696e-02 | PASS |
| spack_foss-2022a_ppc | -2.775870329000000e+01 | -3.100000007805193e-07 | -2.230215832953376e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.775870324000000e+01 | -2.600000001962144e-07 | -1.870503598533916e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.775870304000000e+01 | -6.000000141170858e-08 | -4.316546864151696e-02 | PASS |
| spack_intel-2022a_serial_omp | -2.775870315000000e+01 | -1.699999998550084e-07 | -1.223021581690708e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.775870337000000e+01 | -3.900000002943216e-07 | -2.805755397800875e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.775870324000000e+01 | -2.600000001962144e-07 | -1.870503598533916e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.775870316000000e+01 | -1.800000006824121e-07 | -1.294964033686418e-01 | PASS |
| spack_foss-2023a_mpi | -2.775870324000000e+01 | -2.600000001962144e-07 | -1.870503598533916e-01 | PASS |
| spack_intel-2023a_impi | -2.775870321000000e+01 | -2.300000012667169e-07 | -1.654676268105877e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.775870324000000e+01 | -2.600000001962144e-07 | -1.870503598533916e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.775870361000000e+01 | -6.300000023884422e-07 | -4.532374117902462e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.775870324000000e+01 | -2.600000001962144e-07 | -1.870503598533916e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.775870338000000e+01 | -4.000000011217253e-07 | -2.877697849796585e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.775870338000000e+01 | -4.000000011217253e-07 | -2.877697849796585e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.775870316000000e+01 | -1.800000006824121e-07 | -1.294964033686418e-01 | PASS |
| spack_foss-2022a_serial | -2.775870338000000e+01 | -4.000000011217253e-07 | -2.877697849796585e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.775870316000000e+01 | -1.800000006824121e-07 | -1.294964033686418e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.775870328000000e+01 | -2.999999999531155e-07 | -2.158273380957666e-01 | PASS |
| spack_intel-2023a_serial | -2.775870332000000e+01 | -3.399999997100167e-07 | -2.446043163381415e-01 | PASS |
| spack_foss-2022a_mpi | -2.775870316000000e+01 | -1.800000006824121e-07 | -1.294964033686418e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.775870315000000e+01 | -1.699999998550084e-07 | -1.223021581690708e-01 | PASS |
| spack_foss-2022a_cuda_serial | -2.775870323000000e+01 | -2.499999993688107e-07 | -1.798561146538206e-01 | PASS |