Match comparison for Force C1 (z) (match type 29548)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Input 12-vdw_solid_c6.02-gs_graphene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.911449320000000e-15 | 4.460000000000000e-15 | -6.357081567530000e-16 | 3.668008201473858e-16 | -7.467349267949999e-16 | 7.556311032050000e-16 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.00000000000000191144932, precision: 0.00000000000000446| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| intel_autotools: [intel2023a-serial] | 8.896176410000000e-18 | 1.920345496410000e-15 | 4.305707391053811e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.089131400000000e-15 | 8.223179200000001e-16 | 1.843762152466368e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.502366030000000e-15 | 4.090832900000001e-16 | 9.172271076233186e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.249568080000000e-15 | 6.618812400000000e-16 | 1.484038654708520e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -4.614160240000000e-16 | 1.450033296000000e-15 | 3.251195730941704e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -7.804163880000000e-16 | 1.131032932000000e-15 | 2.535948278026906e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -4.889544210000000e-16 | 1.422494899000000e-15 | 3.189450446188341e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -4.383813910000000e-16 | 1.473067929000000e-15 | 3.302842890134530e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.191702140000000e-15 | 7.197471800000000e-16 | 1.613782914798206e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.449397240000000e-15 | 4.620520800000001e-16 | 1.035991210762332e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.066731240000000e-15 | 8.447180800000000e-16 | 1.893986726457399e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.263899790000000e-15 | 6.475495300000001e-16 | 1.451904775784754e-01 | PASS |