Match comparison for Forces [step 1] (match type 22544)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.422367890290800e-02 | 2.910000000000000e-14 | -1.422367890291284e-02 | 5.260077922605766e-15 | -1.422367890291676e-02 | 9.214851104388799e-15 | PASS |
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Detailed information
Reference: -0.014223678902908, precision: 0.0000000000000291| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -1.422367890290932e-02 | -1.320124565218350e-15 | -4.536510533396393e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.422367890290932e-02 | -1.320124565218350e-15 | -4.536510533396393e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.422367890290932e-02 | -1.320124565218350e-15 | -4.536510533396393e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.422367890290754e-02 | 4.562322741819003e-16 | 1.567808502343300e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -1.422367890290932e-02 | -1.320124565218350e-15 | -4.536510533396393e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.422367890290932e-02 | -1.320124565218350e-15 | -4.536510533396393e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -1.422367890290754e-02 | 4.562322741819003e-16 | 1.567808502343300e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -1.422367890292109e-02 | -1.308848862624501e-14 | -4.497762414517186e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.422367890290932e-02 | -1.320124565218350e-15 | -4.536510533396393e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.422367890290754e-02 | 4.562322741819003e-16 | 1.567808502343300e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.422367890290777e-02 | 2.341876692568690e-16 | 8.047686228758384e-03 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.422367890290888e-02 | -8.760353553682876e-16 | -3.010430774461470e-02 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.422367890291620e-02 | -8.203507317894321e-15 | -2.819074679688771e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.422367890290777e-02 | 2.341876692568690e-16 | 8.047686228758384e-03 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.422367890291043e-02 | -2.430347589843507e-15 | -8.351709930733701e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.422367890291043e-02 | -2.430347589843507e-15 | -8.351709930733701e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.422367890291776e-02 | -9.757819552369540e-15 | -3.353202595315993e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.422367890290932e-02 | -1.320124565218350e-15 | -4.536510533396393e-02 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -1.422367890290999e-02 | -1.986258379993444e-15 | -6.825630171798777e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.422367890291620e-02 | -8.203507317894321e-15 | -2.819074679688771e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.422367890291776e-02 | -9.757819552369540e-15 | -3.353202595315993e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.422367890291620e-02 | -8.203507317894321e-15 | -2.819074679688771e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.422367890291176e-02 | -3.762615219393695e-15 | -1.292994920753847e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.422367890291043e-02 | -2.430347589843507e-15 | -8.351709930733701e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.422367890291398e-02 | -5.983061268644008e-15 | -2.056034800221309e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.422367890292286e-02 | -1.486484546564526e-14 | -5.108194318091155e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.422367890292109e-02 | -1.308848862624501e-14 | -4.497762414517186e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.422367890292087e-02 | -1.286644402131998e-14 | -4.421458426570440e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.422367890292597e-02 | -1.797346993459570e-14 | -6.176450149345601e-01 | PASS |