Match comparison for Multipoles [step 0] (match type 29347)
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Input 24-adsic_freeze_orbitals.02-td.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.218847493575595e-15 | 1.000000000000000e-04 | -1.013862676486824e-15 | 4.226545379721447e-15 | 1.776356839400250e-15 | 7.105427357601002e-15 | PASS |
Checks for this match
- Precision seems large and value close to zero. Should value be 0?
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Detailed information
Reference: 0.000000000000004218847493575595, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 4.846722728199953e-15 | 6.278752346243582e-16 | 6.278752346243582e-12 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 4.846722728199953e-15 | 6.278752346243582e-16 | 6.278752346243582e-12 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 8.881784197001252e-15 | 4.662936703425657e-15 | 4.662936703425657e-11 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 7.105427357601002e-15 | 2.886579864025407e-15 | 2.886579864025407e-11 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -2.815900866079434e-15 | -7.034748359655028e-15 | -7.034748359655028e-11 | PASS |
| foss-serial-min: [foss2022a-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| foss-serial-min: [foss2023b-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| intel_autotools: [intel2023a-serial] | -4.555175762362960e-15 | -8.774023255938554e-15 | -8.774023255938553e-11 | PASS |
| foss-serial-min: [foss2023a-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.815900866079434e-15 | -7.034748359655028e-15 | -7.034748359655028e-11 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.815900866079434e-15 | -7.034748359655028e-15 | -7.034748359655028e-11 | PASS |
| foss-serial-full: [foss2023a-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| foss-serial-full: [foss2023b-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| foss-serial-debug: [foss2023a-serial] | -4.151359862563647e-15 | -8.370207356139243e-15 | -8.370207356139242e-11 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -5.329070518200751e-15 | -9.547918011776346e-15 | -9.547918011776346e-11 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.270410569336908e-15 | -7.489258062912502e-15 | -7.489258062912501e-11 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.065638040251445e-15 | -7.284485533827041e-15 | -7.284485533827040e-11 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -5.329070518200751e-15 | -9.547918011776346e-15 | -9.547918011776346e-11 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -5.329070518200751e-15 | -9.547918011776346e-15 | -9.547918011776346e-11 | PASS |
| foss-omp-full: [foss2023a-serial] | -2.693184588232437e-15 | -6.912032081808031e-15 | -6.912032081808031e-11 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -1.776356839400250e-15 | -5.995204332975845e-15 | -5.995204332975845e-11 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.160608648723110e-15 | -8.379456142298704e-15 | -8.379456142298704e-11 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 1.332267629550188e-15 | -2.886579864025407e-15 | -2.886579864025407e-11 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 1.332267629550188e-15 | -2.886579864025407e-15 | -2.886579864025407e-11 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 3.552713678800501e-15 | -6.661338147750939e-16 | -6.661338147750939e-12 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.776356839400250e-15 | -5.995204332975845e-15 | -5.995204332975845e-11 | PASS |
| foss-mpi-min: [foss2023a-mpi] | 4.440892098500626e-15 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss-mpi-min: [foss2022a-mpi] | 4.440892098500626e-15 | 2.220446049250313e-16 | 2.220446049250313e-12 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 6.217248937900877e-15 | 1.998401444325282e-15 | 1.998401444325282e-11 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -4.440892098500626e-15 | -8.659739592076221e-15 | -8.659739592076221e-11 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -3.344985340466268e-15 | -7.563832834041862e-15 | -7.563832834041862e-11 | PASS |