Match comparison for Polarizability ZZ w=0.1 (match type 22447)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.092309400000000e+01 | 5.460000000000000e-06 | 9.557707250000000e+00 | 3.612473783922721e+00 | 5.461547000000000e+00 | 5.461547000000000e+00 | 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: 10.923093999999999, precision: 0.00000546| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| foss-serial: [foss2023a-serial] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| foss-serial-debug: [foss2023a-serial] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| ppc: [foss2023a-serial] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| intel-parallel: [intel2023a-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| intel-serial-debug: [intel2023a-serial] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 1.092309400000000e+01 | 1.776356839400250e-15 | 3.253400804762363e-10 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 0.000000000000000e+00 | -1.092309400000000e+01 | -2.000566666666666e+06 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 0.000000000000000e+00 | -1.092309400000000e+01 | -2.000566666666666e+06 | FAIL |