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 | 1.636248345157895e+01 | 8.490634495272170e-05 | 1.636234111000000e+01 | 2.140199999995929e-04 | FAIL |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 16.36231627, precision: 0.00021| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.636255513000000e+01 | 2.388599999996188e-04 | 1.137428571426756e+00 | FAIL |
| spack_foss-2022a_cuda_serial | 1.636250738000000e+01 | 1.911099999993837e-04 | 9.100476190446843e-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_serial_min | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.636249900000000e+01 | 1.827299999987986e-04 | 8.701428571371360e-01 | PASS |
| spack_foss-2022a_mpi_opt | 1.636249900000000e+01 | 1.827299999987986e-04 | 8.701428571371360e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_foss-2023a_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.636212709000000e+01 | -1.891799999995669e-04 | -9.008571428550806e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.636249996000000e+01 | 1.836900000000696e-04 | 8.747142857146173e-01 | PASS |
| spack_foss-2022a_mpi_debug | 1.636249900000000e+01 | 1.827299999987986e-04 | 8.701428571371360e-01 | PASS |
| spack_foss-2023a_serial_min | 1.636249899000000e+01 | 1.827199999979712e-04 | 8.700952380855770e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.636250248000000e+01 | 1.862099999989653e-04 | 8.867142857093583e-01 | PASS |
| spack_intel-2023a_serial | 1.636250079000000e+01 | 1.845199999976899e-04 | 8.786666666556660e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.636250046000000e+01 | 1.841899999988073e-04 | 8.770952380895584e-01 | PASS |
| spack_intel-2023a_impi | 1.636250079000000e+01 | 1.845199999976899e-04 | 8.786666666556660e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.636250156000000e+01 | 1.852899999974511e-04 | 8.823333333211957e-01 | PASS |