Match comparison for Hartree energy (match type 25722)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.752839100000000e-01 | 2.880000000000000e-07 | 5.751885129411765e-01 | 2.600026811799647e-04 | 5.748801950000000e-01 | 4.037150000000267e-04 | FAIL |
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: 0.57528391, precision: 0.000000288| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 5.752770200000000e-01 | -6.889999999981633e-06 | -2.392361111104734e+01 | FAIL |
| intel-serial-debug: [intel2023a-serial] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 5.752839100000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 5.744764800000000e-01 | -8.074300000000534e-04 | -2.803576388889074e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 5.744764800000000e-01 | -8.074300000000534e-04 | -2.803576388889074e+03 | FAIL |