Match comparison for Hartree energy (match type 26101)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.244572722000000e+01 | 2.880000000000000e-06 | 4.244572607846154e+01 | 4.531742086307879e-07 | 4.244572633000000e+01 | 7.599999989338357e-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: 42.44572722, precision: 0.00000288| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 4.244572598000000e+01 | -1.240000003122077e-06 | -4.305555566396101e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| cmake_foss_2022a_full_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.244572594000000e+01 | -1.279999999326265e-06 | -4.444444442105085e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2022a_mpi_min | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2022a_mpi | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2022a_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.244572640000000e+01 | -8.200000038982580e-07 | -2.847222235757840e-01 | PASS |
| spack_foss-2022a_serial_min | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2022a_cuda_serial | 4.244572641000000e+01 | -8.100000030708543e-07 | -2.812500010662689e-01 | PASS |
| spack_foss-2023a_mpi | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2023a_mpi_min | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2023a_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2023a_serial_min | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2023a_mpi_opt | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2023a_serial_opt | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2023a_mpi_debug | 4.244572642000000e+01 | -8.000000022434506e-07 | -2.777777785567537e-01 | PASS |
| spack_foss-2023a_serial_debug | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2023b_serial | 4.244572557000000e+01 | -1.650000001518492e-06 | -5.729166671939210e-01 | PASS |
| spack_foss-2023a_serial_omp | 4.244572610000000e+01 | -1.120000000298660e-06 | -3.888888889925902e-01 | PASS |
| spack_intel-2022a_serial_omp | 4.244572586000000e+01 | -1.359999998840067e-06 | -4.722222218194677e-01 | PASS |
| spack_foss-2023a_mpi_omp | 4.244572664000000e+01 | -5.800000053568510e-07 | -2.013888907489066e-01 | PASS |
| spack_intel-2023a_serial | 4.244572709000000e+01 | -1.300000036508209e-07 | -4.513889015653503e-02 | PASS |
| spack_intel-2023a_impi | 4.244572578000000e+01 | -1.440000005459297e-06 | -5.000000018955891e-01 | PASS |
| spack_intel-2022a_impi_omp | 4.244572677000000e+01 | -4.500000017060302e-07 | -1.562500005923716e-01 | PASS |