Match comparison for Hartree energy (match type 29667)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.636231627000000e+01 | 2.630000000000000e-04 | 1.636248825444444e+01 | 7.161540028497647e-05 | 1.636234111000000e+01 | 2.140199999995929e-04 | PASS |
Checks for this match
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Detailed information
Reference: 16.36231627, precision: 0.000263| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2022a_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2023a_serial_min | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2023a_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| cmake_foss_2022a_full_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2022a_ppc | 1.636255513000000e+01 | 2.388599999996188e-04 | 9.082129277552047e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| spack_foss-2023a_serial_debug | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| spack_foss-2022a_mpi | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| spack_foss-2023a_mpi | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| spack_foss-2022a_cuda_serial | 1.636250738000000e+01 | 1.911099999993837e-04 | 7.266539923930940e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.636249900000000e+01 | 1.827299999987986e-04 | 6.947908745201467e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.636250432000000e+01 | 1.880499999984409e-04 | 7.150190114009158e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.636212709000000e+01 | -1.891799999995669e-04 | -7.193155893519655e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2023a_serial_opt | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2023b_serial | 1.636249899000000e+01 | 1.827199999979712e-04 | 6.947528517033125e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.636249996000000e+01 | 1.836900000000696e-04 | 6.984410646390481e-01 | PASS |
| spack_intel-2023a_serial | 1.636250079000000e+01 | 1.845199999976899e-04 | 7.015969581661212e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.636250248000000e+01 | 1.862099999989653e-04 | 7.080228136842786e-01 | PASS |
| spack_intel-2023a_serial_omp | 1.636250046000000e+01 | 1.841899999988073e-04 | 7.003422053186588e-01 | PASS |
| spack_intel-2023a_impi | 1.636250079000000e+01 | 1.845199999976899e-04 | 7.015969581661212e-01 | PASS |
| spack_intel-2022a_impi_omp | 1.636250156000000e+01 | 1.852899999974511e-04 | 7.045247148192058e-01 | PASS |