Match comparison for B3LYP Fock Eigenvalue dn (match type 12226)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -8.379245000000000e-01 | 3.910000000000000e-05 | -8.379600000000000e-01 | 0.000000000000000e+00 | -8.379600000000000e-01 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.8379245, precision: 0.0000391| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_mpi_omp | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| cmake_foss_2022a_min_serial | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| cmake_foss_2022a_full_serial | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| cmake_foss_2022a_min_mpi | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| cmake_foss_2022a_full_mpi | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_intel-2023a_serial | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_intel-2022a_impi_omp | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_intel-2022a_serial_omp | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_intel-2023a_serial_omp | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_intel-2023a_impi | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2022a_serial_min | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_serial_min | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2022a_serial | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_serial | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_serial_opt | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023b_serial | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2022a_ppc | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_mpi_min | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2022a_mpi_min | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_serial_omp | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_serial_debug | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_mpi_opt | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2022a_mpi | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |
| spack_foss-2023a_mpi | -8.379600000000000e-01 | -3.550000000007714e-05 | -9.079283887487758e-01 | PASS |