Match comparison for Occupation Ni2 up-down 3d5 (match type 28830)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.334340300000000e-01 | 3.520000000000000e-04 | -4.332132168421053e-01 | 1.338915457042754e-04 | -4.334004600000000e-01 | 3.526500000000099e-04 | FAIL |
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: 0.000352| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -4.330478100000000e-01 | 3.862200000000482e-04 | 1.097215909091046e+00 | FAIL |
| spack_foss-2022a_cuda_serial | -4.332624700000000e-01 | 1.715600000000150e-04 | 4.873863636364064e-01 | PASS |
| spack_foss-2022a_serial | -4.331951600000000e-01 | 2.388700000000021e-04 | 6.786079545454606e-01 | PASS |
| spack_foss-2022a_mpi | -4.331966400000000e-01 | 2.373900000000040e-04 | 6.744034090909204e-01 | PASS |
| spack_foss-2022a_serial_min | -4.331951600000000e-01 | 2.388700000000021e-04 | 6.786079545454606e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.331966400000000e-01 | 2.373900000000040e-04 | 6.744034090909204e-01 | PASS |
| spack_foss-2022a_mpi_opt | -4.331966400000000e-01 | 2.373900000000040e-04 | 6.744034090909204e-01 | PASS |
| spack_foss-2022a_serial_opt | -4.331951600000000e-01 | 2.388700000000021e-04 | 6.786079545454606e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.331951600000000e-01 | 2.388700000000021e-04 | 6.786079545454606e-01 | PASS |
| spack_foss-2023a_serial | -4.331951600000000e-01 | 2.388700000000021e-04 | 6.786079545454606e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.337531100000000e-01 | -3.190799999999716e-04 | -9.064772727271921e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.332086900000000e-01 | 2.253400000000183e-04 | 6.401704545455066e-01 | PASS |
| spack_foss-2022a_mpi_debug | -4.331966400000000e-01 | 2.373900000000040e-04 | 6.744034090909204e-01 | PASS |
| spack_foss-2023a_serial_min | -4.331951600000000e-01 | 2.388700000000021e-04 | 6.786079545454606e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.331400700000000e-01 | 2.939600000000375e-04 | 8.351136363637430e-01 | PASS |
| spack_intel-2023a_serial | -4.331999800000000e-01 | 2.340500000000412e-04 | 6.649147727273897e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.331356900000000e-01 | 2.983400000000080e-04 | 8.475568181818410e-01 | PASS |
| spack_intel-2023a_impi | -4.332000700000000e-01 | 2.339600000000330e-04 | 6.646590909091847e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.331457100000000e-01 | 2.883200000000086e-04 | 8.190909090909334e-01 | PASS |