Match comparison for Total energy (match type 25731)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 08-loewdin.03-intersite_domains.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.881822880000000e+00 | 3.940000000000000e-07 | -7.880670833529412e+00 | 3.121930351074925e-03 | -7.876613134999999e+00 | 5.209744999999710e-03 | FAIL |
Checks for this match
- MPI builders have different values.
- GPU 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: -7.88182288, precision: 0.000000394| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial: [foss2023a-serial] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-serial-debug: [foss2023a-serial] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| ppc: [foss2023a-serial] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel: [intel2023a-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-parallel: [foss2023a-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -7.881581030000000e+00 | 2.418499999992108e-04 | 6.138324873076415e+02 | FAIL |
| intel-serial-debug: [intel2023a-serial] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -7.881822880000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -7.871403390000000e+00 | 1.041948999999942e-02 | 2.644540609136909e+04 | FAIL |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -7.872899430000000e+00 | 8.923449999999278e-03 | 2.264835025380527e+04 | FAIL |