Match comparison for gga_x_mpw91 Int[n*v_xc] (match type 12333)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.065063800000000e-01 | 4.890000000000000e-06 | -4.065101637037036e-01 | 2.331717135732526e-06 | -4.065063750000000e-01 | 4.464999999981289e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.40650638, precision: 0.00000489| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2022a_serial | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.065019100000000e-01 | 4.469999999978658e-06 | 9.141104294434883e-01 | PASS |
| spack_foss-2022a_ppc | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2022a_mpi | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| spack_foss-2023a_mpi | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| spack_foss-2023a_serial | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.065019300000000e-01 | 4.449999999989185e-06 | 9.100204498955389e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| spack_foss-2023a_serial_min | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| spack_foss-2023b_serial | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_intel-2023a_serial | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.065108100000000e-01 | -4.429999999999712e-06 | -9.059304703475894e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| spack_intel-2023a_impi | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.065108400000000e-01 | -4.459999999983921e-06 | -9.120654396695136e-01 | PASS |