Match comparison for Occupation Ni2 up-down 3d5 (match type 29688)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.334340300000000e-01 | 4.250000000000000e-04 | -4.332087944444445e-01 | 1.125730028267516e-04 | -4.334004600000000e-01 | 3.526500000000099e-04 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.43343403, precision: 0.000425| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2022a_serial | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2023a_serial_min | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2023a_serial | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2022a_ppc | -4.330478100000000e-01 | 3.862200000000482e-04 | 9.087529411765840e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| spack_foss-2022a_mpi | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| spack_foss-2023a_mpi | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.332624700000000e-01 | 1.715600000000150e-04 | 4.036705882353295e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.331966400000000e-01 | 2.373900000000040e-04 | 5.585647058823624e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.332142900000000e-01 | 2.197400000000238e-04 | 5.170352941177031e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.337531100000000e-01 | -3.190799999999716e-04 | -7.507764705881685e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2023b_serial | -4.331951600000000e-01 | 2.388700000000021e-04 | 5.620470588235345e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.332086900000000e-01 | 2.253400000000183e-04 | 5.302117647059255e-01 | PASS |
| spack_intel-2023a_serial | -4.331999800000000e-01 | 2.340500000000412e-04 | 5.507058823530381e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.331400700000000e-01 | 2.939600000000375e-04 | 6.916705882353824e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.331356900000000e-01 | 2.983400000000080e-04 | 7.019764705882543e-01 | PASS |
| spack_intel-2023a_impi | -4.332000700000000e-01 | 2.339600000000330e-04 | 5.504941176471366e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.331457100000000e-01 | 2.883200000000086e-04 | 6.784000000000202e-01 | PASS |