Match comparison for gga_x_pbek1_vdw Int[n*v_xc] (match type 12369)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.061309150000000e-01 | 4.900000000000000e-06 | -4.061347029629630e-01 | 2.334335998562037e-06 | -4.061309100000000e-01 | 4.470000000006413e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.406130915, precision: 0.0000049| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2023a_mpi | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| spack_foss-2022a_serial | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2022a_serial_min | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2022a_mpi | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| spack_foss-2023a_serial | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2023a_serial_min | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.061264600000000e-01 | 4.454999999958797e-06 | 9.091836734609792e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.061264400000000e-01 | 4.475000000003782e-06 | 9.132653061232208e-01 | PASS |
| spack_foss-2023b_serial | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_intel-2023a_serial | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.061353500000000e-01 | -4.435000000024836e-06 | -9.051020408213951e-01 | PASS |
| spack_intel-2023a_impi | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.061353800000000e-01 | -4.465000000009045e-06 | -9.112244897977644e-01 | PASS |