Match comparison for gga_x_pw86 Exchange (match type 12372)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.223429850000000e-01 | 4.130000000000000e-06 | -3.223461725925926e-01 | 1.966515234460887e-06 | -3.223429750000000e-01 | 3.765000000016672e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.322342985, precision: 0.00000413| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2022a_serial_min | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2023a_serial_min | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2023a_serial | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2022a_serial | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2022a_ppc | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2022a_mpi | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2023a_mpi | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.223392100000000e-01 | 3.775000000039164e-06 | 9.140435835445916e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.223392300000000e-01 | 3.755000000049691e-06 | 9.092009685350341e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2023b_serial | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_intel-2023a_serial | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.223467200000000e-01 | -3.734999999949196e-06 | -9.043583534985945e-01 | PASS |
| spack_intel-2023a_impi | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.223467400000000e-01 | -3.754999999994180e-06 | -9.092009685215930e-01 | PASS |