Match comparison for Hartree energy (match type 31879)
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Input 13-j_dependent.02_combined_j_orbs.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.284434951000000e+01 | 1.000000000000000e-04 | 4.284434986333334e+01 | 1.171874093325556e-06 | 4.284435163000001e+01 | 2.120000001326616e-06 | PASS |
Checks for this match
- OpenMP builders have different values. Intel® builders have different values.
Zen 4 builders have different values.
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Detailed information
Reference: 42.84434951, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-min] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-opt-full: [foss2023a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-full: [foss2023a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-full: [foss2023b-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-ppc: [foss2022a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2023a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2023b-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-omp-full: [foss2023a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-serial: [intel2023a-serial] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 4.284434951000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-min: [foss2022a-serial] | 4.284435375000000e+01 | 4.240000002653233e-06 | 4.240000002653233e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 4.284435375000000e+01 | 4.240000002653233e-06 | 4.240000002653233e-02 | PASS |