Match comparison for Benzene Multipoles [step 0] (match type 23469)
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 2.540000000000000e-14 | 3.028183214140019e-15 | 7.793700124166779e-15 | 1.630293239607710e-15 | 9.757784537063794e-15 | PASS |
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Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| intel-serial: [intel2023a-serial] | -6.857484078146205e-15 | -6.857484078146205e-15 | -2.699796881159923e-01 | PASS |
| foss-serial: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss-serial-debug: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| intel-min-parallel: [intel2022a-mpi] | -8.127491297456084e-15 | -8.127491297456084e-15 | -3.199799723407907e-01 | PASS |
| ppc: [foss2023a-serial] | -7.174657253009115e-15 | -7.174657253009115e-15 | -2.824668209846108e-01 | PASS |
| autotools_foss_mpi_omp: [foss2023a-mpi] | 1.064485585861505e-14 | 1.064485585861505e-14 | 4.190888133313011e-01 | PASS |
| foss-parallel-debug: [foss2023a-mpi] | 1.064485585861505e-14 | 1.064485585861505e-14 | 4.190888133313011e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | -8.127491297456084e-15 | -8.127491297456084e-15 | -3.199799723407907e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 1.064485585861505e-14 | 1.064485585861505e-14 | 4.190888133313011e-01 | PASS |
| foss-min-parallel: [foss2023b-mpi] | 1.138807777667150e-14 | 1.138807777667150e-14 | 4.483495187665946e-01 | PASS |
| autotools_intel_mpi_omp: [intel2023a-mpi] | -7.911717192213887e-15 | -7.911717192213887e-15 | -3.114849288273184e-01 | PASS |
| address-sanitizer: [foss2023a-serial, ci-foss-full] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| foss-min-parallel: [foss2022a-mpi] | 9.518035531239130e-15 | 9.518035531239130e-15 | 3.747258083165012e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] | 5.990861863119379e-15 | 5.990861863119379e-15 | 2.358607032724165e-01 | PASS |
| cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda] | 4.126402861722106e-15 | 4.126402861722106e-15 | 1.624568055796105e-01 | PASS |