Match comparison for MVORB HSE06 Fock Int[n*v_xc] (match type 23350)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.586638600000000e-01 | 3.130000000000000e-06 | -2.586611332000001e-01 | 1.092051280823488e-07 | -2.586611200000000e-01 | 1.099999999976120e-07 | 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: -0.25866386, precision: 0.00000313| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_foss-2023a_mpi_omp | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| cmake_foss_2022a_min_serial | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| cmake_foss_2022a_min_mpi | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| cmake_foss_2022a_full_mpi | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_intel-2023a_serial | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_intel-2022a_impi_omp | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_intel-2022a_serial_omp | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_intel-2023a_serial_omp | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_intel-2023a_impi | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_foss-2022a_serial_min | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2023a_serial_min | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2022a_serial | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2023a_serial | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2023b_serial | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2022a_ppc | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.586612300000000e-01 | 2.630000000003463e-06 | 8.402555910554195e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_foss-2022a_mpi | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |
| spack_foss-2023a_mpi | -2.586610100000000e-01 | 2.849999999998687e-06 | 9.105431309899958e-01 | PASS |