Match comparison for Hartree energy (match type 25818)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.636231627000000e+01 | 2.100000000000000e-04 | 1.636248570958334e+01 | 7.485151498540343e-05 | 1.636232061500000e+01 | 1.935249999984734e-04 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 16.36231627, precision: 0.00021| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | 1.636250329000000e+01 | 1.870199999984834e-04 | 8.905714285642067e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.636249900000000e+01 | 1.827299999987986e-04 | 8.701428571371360e-01 | PASS |
| eb_fosscuda-2022a | 1.636249944000000e+01 | 1.831699999996772e-04 | 8.722380952365580e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.636249900000000e+01 | 1.827299999987986e-04 | 8.701428571371360e-01 | PASS |
| eb_foss-2022a_debug | 1.636250439000000e+01 | 1.881200000006800e-04 | 8.958095238127617e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.636251414000000e+01 | 1.978699999973799e-04 | 9.422380952256184e-01 | PASS |
| eb_intel-2022a | 1.636250056000000e+01 | 1.842899999999759e-04 | 8.775714285713135e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.636250153000000e+01 | 1.852599999985216e-04 | 8.821904761834362e-01 | PASS |
| intel-2022b | 1.636250056000000e+01 | 1.842899999999759e-04 | 8.775714285713135e-01 | PASS |
| eb_intel-2022a_omp | 1.636250493000000e+01 | 1.886599999991745e-04 | 8.983809523770213e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.636250437000000e+01 | 1.880999999990252e-04 | 8.957142857096436e-01 | PASS |
| eb_intel-2022a_impi | 1.636250058000000e+01 | 1.843099999980780e-04 | 8.776666666575140e-01 | PASS |
| spack_foss-2022a_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_foss-2022a_mpi | 1.636249900000000e+01 | 1.827299999987986e-04 | 8.701428571371360e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.636212709000000e+01 | -1.891799999995669e-04 | -9.008571428550806e-01 | PASS |
| spack_foss-2022a_serial_min | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| intel-2022b_impi | 1.636250058000000e+01 | 1.843099999980780e-04 | 8.776666666575140e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.636249996000000e+01 | 1.836900000000696e-04 | 8.747142857146173e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_foss-2022a_mpi_omp | 1.636250432000000e+01 | 1.880499999984409e-04 | 8.954761904687659e-01 | PASS |
| eb_intel-2022a_omp_impi | 1.636250035000000e+01 | 1.840800000003640e-04 | 8.765714285731616e-01 | PASS |