Match comparison for Total energy (match type 31181)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-1.047760015800000e+02 | 5.240000000000000e-08 | -1.047760015850000e+02 | 5.000003966415534e-09 | -1.047760015850000e+02 | 5.000003966415534e-09 | PASS |
Checks for this match
- MPI builders have different values.
- GPU builders have different values. Zen 4 builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -104.77600158, precision: 0.0000000524Run | Value | Difference | Relative difference | Status |
foss-cmake-zen4: [foss2023a-serial, foss-min] | -1.047760015900000e+02 | -1.000000793283107e-08 | -1.908398460463944e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-full] | -1.047760015900000e+02 | -1.000000793283107e-08 | -1.908398460463944e-01 | PASS |
cuda-mpi: [foss2022a-cuda-mpi] | -1.047760015800000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.047760015800000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |