Match comparison for Hartree energy (match type 30927)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.947583300000000e-01 | 2.970000000000000e-07 | 5.947583082352942e-01 | 7.058823538757759e-09 | 5.947582950000000e-01 | 1.500000001986024e-08 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.59475833, precision: 0.000000297| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| intel-serial: [intel2023a-serial] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| foss-serial-debug: [foss2023a-serial] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| intel-parallel: [intel2023a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| foss-parallel: [foss2023a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| foss-serial: [foss2023a-serial] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| ppc: [foss2023a-serial] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| intel-serial-debug: [intel2023a-serial] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 5.947582800000000e-01 | -5.000000002919336e-08 | -1.683501684484625e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 5.947583100000000e-01 | -1.999999998947288e-08 | -6.734006730462250e-02 | PASS |