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 | 2.266251517884615e+01 | 1.285526910011552e-06 | 2.266251536500000e+01 | 1.315000000445821e-06 | FAIL |
Checks for this match
- MPI builders have different values.
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 22.662515159999998, precision: 0.000000193| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 2.266251407000000e+01 | -1.089999997816449e-06 | -5.647668382468646e+00 | FAIL |
| cmake_foss_2022a_full_serial | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| cmake_foss_2022a_min_serial | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| cmake_foss_2022a_min_mpi | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| cmake_foss_2022a_full_mpi | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_foss-2022a_serial_min | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2022a_serial | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2022a_mpi_min | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_foss-2022a_mpi | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_foss-2023a_mpi | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_foss-2023a_mpi_min | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_foss-2023a_mpi_debug | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_foss-2023a_serial | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2023a_serial_min | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2022a_cuda_serial | 2.266251405000000e+01 | -1.109999999471256e-06 | -5.751295334047960e+00 | FAIL |
| spack_foss-2023a_mpi_opt | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_foss-2023a_serial_debug | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2023a_serial_opt | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2023b_serial | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2023a_serial_omp | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_foss-2023a_mpi_omp | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_intel-2023a_serial | 2.266251409000000e+01 | -1.069999999714355e-06 | -5.544041449297176e+00 | FAIL |
| spack_intel-2022a_serial_omp | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_intel-2023a_serial_omp | 2.266251408000000e+01 | -1.079999996989045e-06 | -5.595854906678990e+00 | FAIL |
| spack_intel-2023a_impi | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |
| spack_intel-2022a_impi_omp | 2.266251668000000e+01 | 1.520000001420385e-06 | 7.875647675753291e+00 | FAIL |