Match comparison for gga_xc_b97_d Int[n*v_xc] (match type 12393)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.315265750000000e-01 | 5.350000000000000e-06 | -4.315314332000000e-01 | 1.489160836735074e-08 | -4.315314350000000e-01 | 1.499999999210466e-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: -0.431526575, precision: 0.00000535| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_mpi_debug | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_foss-2023a_mpi_omp | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| cmake_foss_2022a_min_serial | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| cmake_foss_2022a_full_serial | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| cmake_foss_2022a_min_mpi | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| cmake_foss_2022a_full_mpi | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_intel-2023a_serial | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_intel-2022a_impi_omp | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_intel-2022a_serial_omp | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_intel-2023a_serial_omp | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_intel-2023a_impi | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_foss-2022a_serial_min | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2023a_serial_min | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2022a_serial | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2023a_serial | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2023a_serial_opt | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2023b_serial | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2022a_ppc | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2023a_mpi_min | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_foss-2022a_mpi_min | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_foss-2023a_serial_omp | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2023a_serial_debug | -4.315314200000000e-01 | -4.844999999975563e-06 | -9.056074766309464e-01 | PASS |
| spack_foss-2023a_mpi_opt | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_foss-2022a_mpi | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |
| spack_foss-2023a_mpi | -4.315314500000000e-01 | -4.874999999959773e-06 | -9.112149532635090e-01 | PASS |