Match comparison for Total energy (match type 30553)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -6.750524599999999e+00 | 5.220000000000000e-05 | -6.750549812666666e+00 | 1.676767305112547e-05 | -6.750560970000000e+00 | 2.451999999975030e-05 | 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: -6.750524599999999, precision: 0.0000522| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -6.750536470000000e+00 | -1.187000000069105e-05 | -2.273946360285642e-01 | PASS |
| foss-serial: [foss2023a-serial] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -6.750560430000000e+00 | -3.583000000073611e-05 | -6.863984674470518e-01 | PASS |
| ppc: [foss2023a-serial] | -6.750554140000000e+00 | -2.954000000077173e-05 | -5.659003831565464e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -6.750538920000000e+00 | -1.432000000090028e-05 | -2.743295019329555e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -6.750538920000000e+00 | -1.432000000090028e-05 | -2.743295019329555e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -6.750560610000000e+00 | -3.601000000053034e-05 | -6.898467433051789e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -6.750538920000000e+00 | -1.432000000090028e-05 | -2.743295019329555e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -6.750538920000000e+00 | -1.432000000090028e-05 | -2.743295019329555e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -6.750560610000000e+00 | -3.601000000053034e-05 | -6.898467433051789e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -6.750538920000000e+00 | -1.432000000090028e-05 | -2.743295019329555e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -6.750585490000000e+00 | -6.089000000031319e-05 | -1.166475095791440e+00 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -6.750585490000000e+00 | -6.089000000031319e-05 | -1.166475095791440e+00 | FAIL |