Match comparison for gga_x_pw91 Exchange (match type 12376)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.171825800000000e-01 | 3.940000000000000e-06 | -3.171856237037037e-01 | 1.876302802990082e-06 | -3.171825700000000e-01 | 3.589999999997762e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.31718258, precision: 0.00000394| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2022a_serial_min | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2023a_serial_min | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2023a_serial | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2022a_serial | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2022a_ppc | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2022a_mpi | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2023a_mpi | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.171789800000000e-01 | 3.599999999992498e-06 | 9.137055837544410e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.171790000000000e-01 | 3.580000000003025e-06 | 9.086294416251333e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2023b_serial | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_intel-2023a_serial | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.171861500000000e-01 | -3.570000000008289e-06 | -9.060913705604793e-01 | PASS |
| spack_intel-2023a_impi | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.171861600000000e-01 | -3.580000000003025e-06 | -9.086294416251333e-01 | PASS |