Match comparison for Total energy (match type 28367)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.228798547900000e+02 | 2.400000000000000e-06 | -2.228784721525000e+02 | 3.294147519702532e-03 | -2.228752435200000e+02 | 4.613449999993691e-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: -222.87985479, precision: 0.0000024| Run | Value | Difference | Relative difference | Status |
| foss-serial-zen4: [foss2023a-serial] | -2.228798563300000e+02 | -1.539999999522479e-06 | -6.416666664676995e-01 | PASS |
| intel-serial: [intel2023a-serial] | -2.228798562300000e+02 | -1.440000005459297e-06 | -6.000000022747070e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.228798539400000e+02 | 8.499999921696144e-07 | 3.541666634040060e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -2.228798554000000e+02 | -6.100000007336348e-07 | -2.541666669723479e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -2.228798549500000e+02 | -1.600000132384594e-07 | -6.666667218269140e-02 | PASS |
| foss-parallel-zen4: [foss2023a-mpi] | -2.228798569700000e+02 | -2.179999995632897e-06 | -9.083333315137073e-01 | PASS |
| valgrind: [foss2023a-serial] | -2.228798569200000e+02 | -2.130000012812161e-06 | -8.875000053384005e-01 | PASS |
| foss-min-parallel-zen4: [foss2023a-mpi] | -2.228798569700000e+02 | -2.179999995632897e-06 | -9.083333315137073e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -2.228798569700000e+02 | -2.179999995632897e-06 | -9.083333315137073e-01 | PASS |
| foss-serial: [foss2023a-serial] | -2.228798539400000e+02 | 8.499999921696144e-07 | 3.541666634040060e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -2.228798569700000e+02 | -2.179999995632897e-06 | -9.083333315137073e-01 | PASS |
| ppc: [foss2023a-serial] | -2.228798566900000e+02 | -1.900000000887303e-06 | -7.916666670363763e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -2.228706300700000e+02 | 9.224719999991748e-03 | 3.843633333329895e+03 | FAIL |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -2.228798541100000e+02 | 6.799999994200334e-07 | 2.833333330916806e-01 | PASS |
| intel-serial-debug: [intel2023a-serial] | -2.228798562300000e+02 | -1.440000005459297e-06 | -6.000000022747070e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -2.228798569700000e+02 | -2.179999995632897e-06 | -9.083333315137073e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -2.228798569700000e+02 | -2.179999995632897e-06 | -9.083333315137073e-01 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -2.228798549500000e+02 | -1.600000132384594e-07 | -6.666667218269140e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -2.228706300700000e+02 | 9.224719999991748e-03 | 3.843633333329895e+03 | FAIL |
| foss-min-parallel: [foss2022a-mpi] | -2.228706314000000e+02 | 9.223389999988285e-03 | 3.843079166661786e+03 | FAIL |