Match comparison for Energy [step 10] (match type 24685)
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Input 22-td_move_ions_periodic.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.470492354799226e+01 | 1.930000000000000e-11 | -2.470492354800262e+01 | 1.047839759850147e-13 | -2.470492354800263e+01 | 1.723066134218243e-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: -24.704923547992262, precision: 0.0000000000193| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -2.470492354800267e+01 | -1.040589836520667e-11 | -5.391657184044906e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.470492354800268e+01 | -1.041300379256427e-11 | -5.395338752623973e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.470492354800246e+01 | -1.019984097183624e-11 | -5.284891695251936e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -2.470492354800248e+01 | -1.021405182655144e-11 | -5.292254832410073e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -2.470492354800277e+01 | -1.051247977557068e-11 | -5.446880712730924e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -2.470492354800268e+01 | -1.041655650624307e-11 | -5.397179536913507e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -2.470492354800250e+01 | -1.023536810862424e-11 | -5.303299538147276e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.470492354800281e+01 | -1.054445419867989e-11 | -5.463447771336729e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.470492354800281e+01 | -1.054445419867989e-11 | -5.463447771336729e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.470492354800250e+01 | -1.023536810862424e-11 | -5.303299538147276e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.470492354800250e+01 | -1.023536810862424e-11 | -5.303299538147276e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.470492354800273e+01 | -1.046629449774628e-11 | -5.422950516966982e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.470492354800250e+01 | -1.023536810862424e-11 | -5.303299538147276e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.470492354800276e+01 | -1.049826892085548e-11 | -5.439517575572788e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -2.470492354800252e+01 | -1.025668439069705e-11 | -5.314344243884480e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -2.470492354800252e+01 | -1.025668439069705e-11 | -5.314344243884480e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -2.470492354800258e+01 | -1.032063323691546e-11 | -5.347478361096091e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -2.470492354800250e+01 | -1.023536810862424e-11 | -5.303299538147276e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -2.470492354800252e+01 | -1.025668439069705e-11 | -5.314344243884480e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -2.470492354800252e+01 | -1.025668439069705e-11 | -5.314344243884480e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -2.470492354800256e+01 | -1.029931695484265e-11 | -5.336433655358886e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -2.470492354800266e+01 | -1.039524022417027e-11 | -5.386134831176304e-01 | PASS |