Match comparison for B3LYP OEP Int[n*v_xc] (match type 12234)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.490569900000000e-01 | 1.690000000000000e-06 | -4.490554388000000e-01 | 9.927738939122173e-09 | -4.490554400000000e-01 | 1.000000002249202e-08 | 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: -0.44905699, precision: 0.00000169| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_intel-2023a_serial | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_intel-2023a_impi | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_foss-2022a_serial_min | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2023a_serial_min | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2022a_serial | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2023a_serial | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2023b_serial | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2022a_ppc | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.490554300000000e-01 | 1.560000000011552e-06 | 9.230769230837587e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_foss-2022a_mpi | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |
| spack_foss-2023a_mpi | -4.490554500000000e-01 | 1.539999999966568e-06 | 9.112426035305137e-01 | PASS |