Match comparison for Born charge O YY w=0.1 (match type 17711)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.029470000000000e-01 | 2.010000000000000e-05 | -4.029468235294118e-01 | 3.812200410726156e-07 | -4.029465000000000e-01 | 4.999999999866223e-07 | PASS |
Checks for this match
- MPI builders have different values. Intel® builders have different values.
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Detailed information
Reference: -0.402947, precision: 0.0000201| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -4.029460000000000e-01 | 9.999999999732445e-07 | 4.975124377976341e-02 | PASS |
| intel-serial-debug: [intel2023a-serial] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -4.029470000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -4.029460000000000e-01 | 9.999999999732445e-07 | 4.975124377976341e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -4.029460000000000e-01 | 9.999999999732445e-07 | 4.975124377976341e-02 | PASS |