Match comparison for gga_xc_b97_d Correlation (match type 12392)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.405951950000000e-01 | 4.150000000000000e-06 | -3.405989688000000e-01 | 9.927738911567162e-09 | -3.405989700000000e-01 | 9.999999994736442e-09 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.340595195, precision: 0.00000415| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_intel-2023a_serial | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_intel-2023a_impi | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_foss-2022a_serial_min | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2023a_serial_min | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2022a_serial | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2023a_serial | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2023b_serial | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2022a_ppc | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.405989600000000e-01 | -3.764999999988916e-06 | -9.072289156599798e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_foss-2022a_mpi | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |
| spack_foss-2023a_mpi | -3.405989800000000e-01 | -3.784999999978389e-06 | -9.120481927658769e-01 | PASS |