Match comparison for B3LYP OEP Total (match type 12235)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.258245950000000e-01 | 2.100000000000000e-05 | -5.258437044000001e-01 | 4.963869428228570e-09 | -5.258437050000000e-01 | 4.999999969612645e-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: -0.525824595, precision: 0.000021| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_foss-2023a_mpi_omp | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_intel-2023a_serial | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_intel-2022a_impi_omp | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_intel-2022a_serial_omp | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_intel-2023a_serial_omp | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_intel-2023a_impi | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_foss-2022a_serial_min | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2023a_serial_min | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2022a_serial | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2023a_serial | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2023a_serial_opt | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2023b_serial | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2022a_ppc | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2023a_mpi_min | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_foss-2022a_mpi_min | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_foss-2023a_serial_omp | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2023a_serial_debug | -5.258437000000000e-01 | -1.910500000001925e-05 | -9.097619047628213e-01 | PASS |
| spack_foss-2023a_mpi_opt | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_foss-2022a_mpi | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |
| spack_foss-2023a_mpi | -5.258437100000000e-01 | -1.911499999995847e-05 | -9.102380952361178e-01 | PASS |