Match comparison for Kinetic energy (match type 30869)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 08-loewdin.03-intersite_domains.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.148742590000000e+00 | 1.570000000000000e-07 | 3.148541677058823e+00 | 4.567900987229595e-04 | 3.148027320000000e+00 | 7.152699999999346e-04 | FAIL |
Checks for this match
- MPI builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 3.14874259, precision: 0.000000157| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 3.147420800000000e+00 | -1.321789999999989e-03 | -8.419044585987194e+03 | FAIL |
| intel-serial-debug: [intel2023a-serial] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | 3.148742590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 3.147312050000000e+00 | -1.430539999999869e-03 | -9.111719745222097e+03 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 3.148079400000000e+00 | -6.631900000000357e-04 | -4.224140127388762e+03 | FAIL |