Match comparison for Occupation Ni2 up-down 3d4 (match type 30856)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.191826330000000e+00 | 5.960000000000000e-08 | 1.194711314705882e+00 | 6.232286981068924e-03 | 1.200000460000000e+00 | 8.174139999999941e-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: 1.19182633, precision: 0.0000000596Run | Value | Difference | Relative difference | Status |
intel-serial: [intel2023a-serial] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-serial: [foss2023a-serial] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-serial-debug: [foss2023a-serial] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-min-parallel: [intel2022a-mpi] | 1.191826320000000e+00 | -9.999999939225290e-09 | -1.677852338796190e-01 | PASS |
ppc: [foss2023a-serial] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
autotools_foss_mpi_omp: [foss2023a-mpi] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-parallel-debug: [foss2023a-mpi] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-parallel: [intel2023a-mpi] | 1.191826320000000e+00 | -9.999999939225290e-09 | -1.677852338796190e-01 | PASS |
foss-parallel: [foss2023a-mpi] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-min-parallel: [foss2023b-mpi] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
autotools_intel_mpi_omp: [intel2023a-mpi] | 1.191826320000000e+00 | -9.999999939225290e-09 | -1.677852338796190e-01 | PASS |
address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.191826330000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-min-parallel: [foss2022a-mpi] | 1.208174580000000e+00 | 1.634825000000006e-02 | 2.742994966442964e+05 | FAIL |
intel-serial-debug: [intel2023a-serial] | 1.191826320000000e+00 | -9.999999939225290e-09 | -1.677852338796190e-01 | PASS |
intel-parallel-debug: [intel2023a-mpi] | 1.191826320000000e+00 | -9.999999939225290e-09 | -1.677852338796190e-01 | PASS |
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.208174600000000e+00 | 1.634826999999994e-02 | 2.742998322147641e+05 | FAIL |
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.208174600000000e+00 | 1.634826999999994e-02 | 2.742998322147641e+05 | FAIL |