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 | -6.750546351538461e+00 | 1.519358915710877e-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 |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -6.750548430000000e+00 | -2.383000000083513e-05 | -4.565134099776844e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -6.750554140000000e+00 | -2.954000000077173e-05 | -5.659003831565464e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -6.750538920000000e+00 | -1.432000000090028e-05 | -2.743295019329555e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -6.750536450000000e+00 | -1.185000000081260e-05 | -2.270114942684406e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -6.750548430000000e+00 | -2.383000000083513e-05 | -4.565134099776844e-01 | PASS |
| cuda-mpi: [foss2022a-cuda-mpi] | -6.750585490000000e+00 | -6.089000000031319e-05 | -1.166475095791440e+00 | FAIL |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -6.750572010000000e+00 | -4.741000000052509e-05 | -9.082375479027794e-01 | PASS |