Match comparison for Forces [step 20] (match type 22548)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.513371027100001e-03 | 4.760000000000000e-12 | -9.513371027087698e-03 | 5.755963674007579e-15 | -9.513371027082940e-03 | 1.620925615952729e-14 | PASS |
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Detailed information
Reference: -0.0095133710271, precision: 0.00000000000476| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -9.513371027087603e-03 | 1.239806868280624e-14 | 2.604636277900471e-03 | PASS |
| foss_min_autotools: [foss2023a-serial] | -9.513371027087603e-03 | 1.239806868280624e-14 | 2.604636277900471e-03 | PASS |
| foss_min_autotools: [foss2023b-serial] | -9.513371027087603e-03 | 1.239806868280624e-14 | 2.604636277900471e-03 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -9.513371027088491e-03 | 1.150989026310612e-14 | 2.418044172921453e-03 | PASS |
| foss_autotools: [foss2022a-serial] | -9.513371027087603e-03 | 1.239806868280624e-14 | 2.604636277900471e-03 | PASS |
| foss_autotools: [foss2023a-serial] | -9.513371027087603e-03 | 1.239806868280624e-14 | 2.604636277900471e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -9.513371027088491e-03 | 1.150989026310612e-14 | 2.418044172921453e-03 | PASS |
| intel_autotools: [intel2023a-serial] | -9.513371027095596e-03 | 4.404462905505113e-15 | 9.253073330893095e-04 | PASS |
| foss_autotools: [foss2023b-serial] | -9.513371027087603e-03 | 1.239806868280624e-14 | 2.604636277900471e-03 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -9.513371027088491e-03 | 1.150989026310612e-14 | 2.418044172921453e-03 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -9.513371027085160e-03 | 1.484055933698158e-14 | 3.117764566592770e-03 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -9.513371027087381e-03 | 1.262011328773127e-14 | 2.651284304145225e-03 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -9.513371027085604e-03 | 1.439647012713152e-14 | 3.024468514103261e-03 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -9.513371027085160e-03 | 1.484055933698158e-14 | 3.117764566592770e-03 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -9.513371027099149e-03 | 8.517492267046123e-16 | 1.789389131732379e-04 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -9.513371027087603e-03 | 1.239806868280624e-14 | 2.604636277900471e-03 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -9.513371027085604e-03 | 1.439647012713152e-14 | 3.024468514103261e-03 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -9.513371027099149e-03 | 8.517492267046123e-16 | 1.789389131732379e-04 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -9.513371027066730e-03 | 3.327026154575918e-14 | 6.989550744907392e-03 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -9.513371027084272e-03 | 1.572873775668171e-14 | 3.304356671571788e-03 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -9.513371027092488e-03 | 7.513087374455552e-15 | 1.578379700515872e-03 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -9.513371027092488e-03 | 7.513087374455552e-15 | 1.578379700515872e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -9.513371027094264e-03 | 5.736730535055301e-15 | 1.205195490557836e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -9.513371027093598e-03 | 6.402864349830395e-15 | 1.345139569292100e-03 | PASS |