Match comparison for Benzene Multipoles [step 0] (match type 20285)
Commits >
Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 2.540000000000000e-14 | 2.861081881358219e-15 | 6.374924076803843e-15 | -2.865000619604725e-15 | 1.151993972987507e-14 | PASS |
Checks for this match
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Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_serial_min | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_serial_opt | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_ppc | 5.397419391059593e-15 | 5.397419391059593e-15 | 2.124968264196690e-01 | PASS |
| spack_foss-2022a_mpi_min | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2023a_mpi_min | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2022a_serial_debug | 7.659138334358420e-15 | 7.659138334358420e-15 | 3.015408793054496e-01 | PASS |
| spack_foss-2022a_mpi_opt | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.438494034947979e-14 | -1.438494034947979e-14 | -5.663362342314879e-01 | PASS |
| spack_foss-2022a_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2022a_cuda_serial | 5.966166988836511e-15 | 5.966166988836511e-15 | 2.348884641274217e-01 | PASS |
| spack_intel-2023a_impi | -4.539712113817707e-15 | -4.539712113817707e-15 | -1.787288233786499e-01 | PASS |
| spack_foss-2022a_mpi_debug | 3.013331882784653e-15 | 3.013331882784653e-15 | 1.186351134954588e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.654939110270343e-15 | 8.654939110270343e-15 | 3.407456342626119e-01 | PASS |
| spack_intel-2022a_impi_omp | -8.678914010852810e-15 | -8.678914010852810e-15 | -3.416895279863311e-01 | PASS |