Match comparison for gga_x_pbe_r Int[n*v_xc] (match type 12357)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.083495100000000e-01 | 4.940000000000000e-06 | -4.083533003846153e-01 | 2.393270181101951e-06 | -4.083495050000000e-01 | 4.504999999987991e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.40834950999999997, precision: 0.00000494| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| eb_fosscuda-2022a | -4.083450000000000e-01 | 4.509999999957603e-06 | 9.129554655784622e-01 | PASS |
| intel-2022a_omp | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| eb_foss-2022a_debug | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| intel-2022b_impi | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| intel-2022a_impi | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -4.083450200000000e-01 | 4.489999999968131e-06 | 9.089068825846418e-01 | PASS |
| eb_foss-2022b_libxc6 | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| eb_foss-2022a_mpi | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| intel-2022a_omp_impi | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| eb_foss-2022a_mpi_debug | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| foss-2022a_mpi_omp | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| foss-2022a_ppc | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| spack_foss-2022a_serial_min | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| spack_foss-2022a_serial | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| foss-2022a_opt | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| intel-2022b | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| intel-2022a | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| spack_foss-2022a_serial_omp | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.083540100000000e-01 | -4.500000000018378e-06 | -9.109311740927891e-01 | PASS |
| spack_foss-2022a_serial_debug | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| foss-2022a_omp | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.083539800000000e-01 | -4.470000000034169e-06 | -9.048582996020584e-01 | PASS |