Match comparison for gga_x_pbe Exchange (match type 12348)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.167971900000000e-01 | 3.950000000000000e-06 | -3.168002422222223e-01 | 1.881540608576299e-06 | -3.167971800000000e-01 | 3.599999999992498e-06 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.31679719, precision: 0.00000395| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2022a_serial_min | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2023a_serial_min | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2023a_serial | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2022a_serial | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2022a_ppc | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2022a_mpi | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2023a_mpi | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.167935800000000e-01 | 3.609999999987235e-06 | 9.139240506296795e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.167936000000000e-01 | 3.589999999997762e-06 | 9.088607594931042e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2023b_serial | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_intel-2023a_serial | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.168007700000000e-01 | -3.580000000003025e-06 | -9.063291139248164e-01 | PASS |
| spack_intel-2023a_impi | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.168007800000000e-01 | -3.589999999997762e-06 | -9.088607594931042e-01 | PASS |