Match comparison for Hartree energy (match type 12854)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.266251516000000e+01 | 1.930000000000000e-07 | 2.266251513807693e+01 | 1.729165926706188e-07 | 2.266251516500000e+01 | 1.750000002687102e-07 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: 22.662515159999998, precision: 0.000000193| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2022a_serial_min | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2023a_serial_min | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2023a_serial | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2022a_serial | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2022a_ppc | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2022a_mpi | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2023a_mpi | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2023b_serial | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_intel-2023a_serial | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.266251499000000e+01 | -1.699999998550084e-07 | -8.808290147927894e-01 | PASS |
| spack_intel-2023a_impi | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.266251534000000e+01 | 1.800000006824121e-07 | 9.326424905824460e-01 | PASS |