Match comparison for gga_c_lm Int[n*v_xc] (libxc5) (match type 21161)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -6.834823000000000e-02 | 1.600000000000000e-06 | -6.834812259259258e-02 | 3.797425306372363e-07 | -6.834750500000000e-02 | 7.250000000000312e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.06834823, precision: 0.0000016| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -6.834678000000000e-02 | 1.450000000000062e-06 | 9.062500000000390e-01 | PASS |
| spack_foss-2023a_serial_opt | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -6.834678000000000e-02 | 1.450000000000062e-06 | 9.062500000000390e-01 | PASS |
| spack_foss-2023b_serial | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | -6.834823000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |