Match comparison for Benzene Energy [step 0] (match type 20283)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578880864112e+01 | 3.740000000000000e-13 | -3.744578880864114e+01 | 7.714107818258178e-14 | -3.744578880864113e+01 | 1.172395514004165e-13 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
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Detailed information
Reference: -37.44578880864112, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -3.744578880864123e+01 | -1.136868377216160e-13 | -3.039755019294546e-01 | PASS |
| foss-serial: [foss2023a-serial] | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -3.744578880864121e+01 | -9.237055564881302e-14 | -2.469800953176819e-01 | PASS |
| ppc: [foss2023a-serial] | -3.744578880864115e+01 | -2.842170943040401e-14 | -7.599387548236365e-02 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | -3.744578880864117e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | -3.744578880864117e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -3.744578880864121e+01 | -9.237055564881302e-14 | -2.469800953176819e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | -3.744578880864117e+01 | -4.973799150320701e-14 | -1.329892820941364e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | -3.744578880864118e+01 | -6.394884621840902e-14 | -1.709862198353182e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -3.744578880864124e+01 | -1.207922650792170e-13 | -3.229739708000455e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | -3.744578880864105e+01 | 6.394884621840902e-14 | 1.709862198353182e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | -3.744578880864115e+01 | -2.842170943040401e-14 | -7.599387548236365e-02 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | -3.744578880864101e+01 | 1.136868377216160e-13 | 3.039755019294546e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | -3.744578880864101e+01 | 1.065814103640150e-13 | 2.849770330588637e-01 | PASS |