Match comparison for Polarizability ZZ w=0.0 (match type 22427)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.021182600000000e+01 | 5.110000000000000e-06 | 1.032135983333333e+01 | 3.098084652774731e-01 | 1.070472850000000e+01 | 4.929024999999996e-01 | 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: 10.211826, precision: 0.00000511Run | Value | Difference | Relative difference | Status |
foss-serial-zen4: [foss2023a-serial] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-serial: [intel2023a-serial] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-serial-debug: [foss2023a-serial] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-min-parallel: [intel2022a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-parallel: [intel2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-parallel-zen4: [foss2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-min-parallel-zen4: [foss2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
autotools_foss_mpi_omp: [foss2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-serial: [foss2023a-serial] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-parallel-debug: [foss2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
ppc: [foss2023a-serial] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 1.119763100000000e+01 | 9.858049999999992e-01 | 1.929168297455967e+05 | FAIL |
autotools_intel_mpi_omp: [intel2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-serial-debug: [intel2023a-serial] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-parallel: [foss2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-min-parallel: [foss2023b-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-parallel-debug: [intel2023a-mpi] | 1.021182600000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 1.119763000000000e+01 | 9.858039999999999e-01 | 1.929166340508806e+05 | FAIL |