Match comparison for Benzene Energy [step 20] (match type 20284)
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565857691556e+01 | 3.740000000000000e-13 | -3.744565857691548e+01 | 9.057678187205882e-14 | -3.744565857691552e+01 | 2.131628207280301e-13 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -37.445658576915555, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744565857691546e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744565857691546e+01 | 9.237055564881302e-14 | 2.469800953176819e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.744565857691541e+01 | 1.492139745096210e-13 | 3.989678462824092e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| intel-serial: [intel2023a-serial] | -3.744565857691573e+01 | -1.776356839400250e-13 | -4.749617217647728e-01 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.744565857691545e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |
| foss-ppc: [foss2022a-serial] | -3.744565857691561e+01 | -5.684341886080801e-14 | -1.519877509647273e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744565857691546e+01 | 9.947598300641403e-14 | 2.659785641882728e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| intel-omp: [intel2023a-serial] | -3.744565857691560e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| intel-omp: [intel2022a-serial] | -3.744565857691560e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -3.744565857691536e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.744565857691571e+01 | -1.563194018672220e-13 | -4.179663151530001e-01 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.744565857691544e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744565857691562e+01 | -6.394884621840902e-14 | -1.709862198353182e-01 | PASS |
| cuda-mpi-omp: [foss2022a-cuda-mpi] | -3.744565857691531e+01 | 2.486899575160351e-13 | 6.649464104706819e-01 | PASS |