Match comparison for gga_x_pw91 Int[n*v_xc] (match type 12377)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.049545750000000e-01 | 4.880000000000000e-06 | -4.049583422222223e-01 | 2.321376241439061e-06 | -4.049545650000000e-01 | 4.444999999991817e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.404954575, precision: 0.00000488| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2022a_serial_min | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2023a_serial_min | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2023a_serial | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2022a_serial | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2022a_ppc | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2022a_mpi | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2023a_mpi | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.049501200000000e-01 | 4.454999999958797e-06 | 9.129098360571306e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.049501500000000e-01 | 4.424999999974588e-06 | 9.067622950767599e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2023b_serial | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_intel-2023a_serial | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.049589900000000e-01 | -4.415000000035363e-06 | -9.047131147613449e-01 | PASS |
| spack_intel-2023a_impi | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.049590100000000e-01 | -4.435000000024836e-06 | -9.088114754149254e-01 | PASS |