Match comparison for gga_x_optb88_vdw Int[n*v_xc] (match type 12337)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.994679000000000e-01 | 4.740000000000000e-06 | -3.994715603703705e-01 | 2.257211458093270e-06 | -3.994678900000000e-01 | 4.320000000002100e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.3994679, precision: 0.00000474| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2022a_serial_min | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2023a_serial_min | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2023a_serial | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2022a_serial | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2022a_ppc | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2022a_mpi | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2023a_mpi | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.994635700000000e-01 | 4.329999999996836e-06 | 9.135021097039738e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.994635900000000e-01 | 4.310000000007363e-06 | 9.092827004234943e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2023b_serial | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_intel-2023a_serial | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.994721900000000e-01 | -4.290000000017891e-06 | -9.050632911430149e-01 | PASS |
| spack_intel-2023a_impi | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.994722100000000e-01 | -4.310000000007363e-06 | -9.092827004234943e-01 | PASS |