Match comparison for gga_x_pbe Int[n*v_xc] (match type 12349)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.037898600000000e-01 | 4.860000000000000e-06 | -4.037936181481482e-01 | 2.316003961229838e-06 | -4.037898550000000e-01 | 4.434999999997080e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.40378986, precision: 0.00000486| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2022a_serial_min | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2023a_serial_min | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2023a_serial | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2022a_serial | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2022a_ppc | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2022a_mpi | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2023a_mpi | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2022a_cuda_serial | -4.037854200000000e-01 | 4.439999999994448e-06 | 9.135802469124379e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -4.037854400000000e-01 | 4.420000000004976e-06 | 9.094650205771554e-01 | PASS |
| spack_foss-2023a_mpi_debug | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2023b_serial | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_intel-2023a_serial | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.037942600000000e-01 | -4.400000000015503e-06 | -9.053497942418730e-01 | PASS |
| spack_intel-2023a_impi | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.037942900000000e-01 | -4.429999999999712e-06 | -9.115226337447967e-01 | PASS |