Match comparison for Hartree energy (match type 28447)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.857334633000000e+01 | 1.430000000000000e-07 | 2.857334631518519e+01 | 1.101190244775863e-08 | 2.857334633000000e+01 | 1.999999987845058e-08 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 28.57334633, precision: 0.000000143| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2022a_serial_min | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023a_serial_min | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023a_serial | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2022a_serial | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2022a_ppc | 2.857334633000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.857334632000000e+01 | -1.000000082740371e-08 | -6.993007571610986e-02 | PASS |
| spack_foss-2023a_mpi_min | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2022a_mpi | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023a_mpi | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.857334635000000e+01 | 2.000000165480742e-08 | 1.398601514322197e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.857334635000000e+01 | 2.000000165480742e-08 | 1.398601514322197e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.857334632000000e+01 | -1.000000082740371e-08 | -6.993007571610986e-02 | PASS |
| spack_foss-2023a_serial_opt | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023b_serial | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_intel-2023a_serial | 2.857334632000000e+01 | -1.000000082740371e-08 | -6.993007571610986e-02 | PASS |
| spack_intel-2022a_serial_omp | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |
| spack_intel-2023a_impi | 2.857334632000000e+01 | -1.000000082740371e-08 | -6.993007571610986e-02 | PASS |
| spack_intel-2022a_impi_omp | 2.857334631000000e+01 | -1.999999810209374e-08 | -1.398601265880681e-01 | PASS |