Match comparison for electronic pol. charge (match type 12042)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 32-tdpcm_methane.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.889902200000000e+00 | 3.940000000000000e-06 | -7.889902170000001e+00 | 8.881784197001252e-16 | -7.889902170000000e+00 | 0.000000000000000e+00 | PASS |
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Detailed information
Reference: -7.8899022, precision: 0.00000394| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| foss-serial: [foss2023a-serial] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| foss-serial-debug: [foss2023a-serial] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| ppc: [foss2023a-serial] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| intel-parallel: [intel2023a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| foss-parallel: [foss2023a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| intel-serial-debug: [intel2023a-serial] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| intel-parallel-debug: [intel2023a-mpi] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -7.889902170000000e+00 | 2.999999981767587e-08 | 7.614213151694383e-03 | PASS |