Match comparison for Energy [step 20] (match type 24686)
Commits >
Commit 98d0ca144537205e7b2aa0b44074de55ddb8c97d >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470793229358995e+01 | 1.920000000000000e-11 | -2.470793229360035e+01 | 8.854155447540491e-14 | -2.470793229360035e+01 | 1.509903313490213e-13 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -24.70793229358995, precision: 0.0000000000192| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.470793229360043e+01 | -1.048050535246148e-11 | -5.458596537740353e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.470793229360039e+01 | -1.044142550199467e-11 | -5.438242448955559e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.470793229360023e+01 | -1.028510610012745e-11 | -5.356826093816380e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.470793229360020e+01 | -1.024957896333945e-11 | -5.338322376739295e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.470793229360036e+01 | -1.041300379256427e-11 | -5.423439475293890e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.470793229360050e+01 | -1.055155962603749e-11 | -5.495603971894525e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.470793229360046e+01 | -1.051247977557068e-11 | -5.475249883109731e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470793229360027e+01 | -1.031708052323665e-11 | -5.373479439185758e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -2.470793229360027e+01 | -1.031708052323665e-11 | -5.373479439185758e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -2.470793229360027e+01 | -1.031708052323665e-11 | -5.373479439185758e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.470793229360047e+01 | -1.051958520292828e-11 | -5.478950626525148e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470793229360027e+01 | -1.031708052323665e-11 | -5.373479439185758e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470793229360026e+01 | -1.031352780955785e-11 | -5.371629067478050e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.470793229360047e+01 | -1.051958520292828e-11 | -5.478950626525148e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.470793229360044e+01 | -1.049116349349788e-11 | -5.464147652863479e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.470793229360039e+01 | -1.044142550199467e-11 | -5.438242448955559e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.470793229360035e+01 | -1.040234565152787e-11 | -5.417888360170764e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.470793229360027e+01 | -1.031708052323665e-11 | -5.373479439185758e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.470793229360027e+01 | -1.031708052323665e-11 | -5.373479439185758e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.470793229360027e+01 | -1.032418595059426e-11 | -5.377180182601176e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.470793229360027e+01 | -1.032418595059426e-11 | -5.377180182601176e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.470793229360027e+01 | -1.032418595059426e-11 | -5.377180182601176e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.470793229360027e+01 | -1.032418595059426e-11 | -5.377180182601176e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.470793229360033e+01 | -1.038102936945506e-11 | -5.406786129924512e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -2.470793229360028e+01 | -1.033484409163066e-11 | -5.382731297724301e-01 | PASS |