Match comparison for Benzene Multipoles [step 0] (match type 20285)
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
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 | 4.733673119342591e-15 | 7.422158275435355e-15 | 8.783245792400031e-16 | 1.314699226150280e-14 | PASS |
Checks do not indicate problems with this match.
Loading plot...
Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2023a_serial_opt | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2023a_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2023a_serial_min | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2023b_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2022a_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2022a_mpi_min | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| spack_foss-2022a_ppc | -7.174657253009115e-15 | -7.174657253009115e-15 | -2.824668209846108e-01 | PASS |
| spack_foss-2023a_mpi_min | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| spack_foss-2023a_serial_omp | 1.402531684074280e-14 | 1.402531684074280e-14 | 5.521778283757007e-01 | PASS |
| spack_foss-2022a_mpi | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| spack_foss-2023a_mpi | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| spack_foss-2023a_serial_debug | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2023a_mpi_debug | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.064485585861505e-14 | 1.064485585861505e-14 | 4.190888133313011e-01 | PASS |
| cmake_foss_2022a_full_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| cmake_foss_2022a_min_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.842122168190644e-15 | -3.842122168190644e-15 | -1.512646522909702e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| spack_intel-2023a_serial | -1.226866768226279e-14 | -1.226866768226279e-14 | -4.830184126875116e-01 | PASS |
| spack_intel-2022a_impi_omp | -7.911717192213887e-15 | -7.911717192213887e-15 | -3.114849288273184e-01 | PASS |
| spack_intel-2022a_serial_omp | -8.151466198038551e-15 | -8.151466198038551e-15 | -3.209238660645098e-01 | PASS |
| spack_intel-2023a_serial_omp | -8.151466198038551e-15 | -8.151466198038551e-15 | -3.209238660645098e-01 | PASS |
| spack_intel-2023a_impi | 6.410158547691139e-15 | 6.410158547691139e-15 | 2.523684467594937e-01 | PASS |
| spack_foss-2023a_mpi_opt | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.510418736695378e-15 | -1.510418736695378e-15 | -5.946530459430624e-02 | PASS |
| spack_foss-2022a_cuda_serial | 5.978209147554571e-15 | 5.978209147554571e-15 | 2.353625648643532e-01 | PASS |