Match comparison for Total energy (match type 28367)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.228798547800000e+02 | 3.980000000000000e-06 | -2.228787038468750e+02 | 3.050792394842608e-03 | -2.228752453150000e+02 | 4.613105000004225e-03 | 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: -222.87985478, precision: 0.00000398| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -2.228798533300000e+02 | 1.449999984970418e-06 | 3.643216042639242e-01 | PASS |
| foss-serial: [foss2023a-serial] | -2.228798584200000e+02 | -3.640000016957856e-06 | -9.145728685823760e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.228798584200000e+02 | -3.640000016957856e-06 | -9.145728685823760e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.228798570400000e+02 | -2.260000002252127e-06 | -5.678391965457605e-01 | PASS |
| ppc: [foss2023a-serial] | -2.228798550500000e+02 | -2.700000152344728e-07 | -6.783919980765649e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.228798580000000e+02 | -3.220000024839464e-06 | -8.090452323717248e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.228798580000000e+02 | -3.220000024839464e-06 | -8.090452323717248e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.228798570300000e+02 | -2.250000022741006e-06 | -5.653266388796496e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.228798580000000e+02 | -3.220000024839464e-06 | -8.090452323717248e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.228798580000000e+02 | -3.220000024839464e-06 | -8.090452323717248e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.228798570700000e+02 | -2.290000026050620e-06 | -5.753768909674926e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -2.228798584100000e+02 | -3.630000009025025e-06 | -9.120603037751319e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -2.228798533300000e+02 | 1.449999984970418e-06 | 3.643216042639242e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.228798570300000e+02 | -2.250000022741006e-06 | -5.653266388796496e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.228706322100000e+02 | 9.222569999991492e-03 | 2.317228643213943e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.228706322100000e+02 | 9.222569999991492e-03 | 2.317228643213943e+03 | FAIL |