Match comparison for Benzene Multipoles [step 0] (match type 24559)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 0.000000000000000e+00 | 1.000000000000000e-10 | 4.180694375028052e-15 | 6.277649119281773e-15 | 1.373593664276292e-15 | 1.575853401375609e-14 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: 0.0, precision: 0.0000000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 5.397419391059593e-15 | 5.397419391059593e-15 | 5.397419391059592e-05 | PASS |
| cmake_foss_2022a_min_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| cmake_foss_2022a_full_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| cmake_foss_2022a_min_mpi | 1.713212767803238e-14 | 1.713212767803238e-14 | 1.713212767803238e-04 | PASS |
| cmake_foss_2022a_full_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 3.013331882784653e-05 | PASS |
| spack_foss-2022a_mpi_min | 3.013331882784653e-15 | 3.013331882784653e-15 | 3.013331882784653e-05 | PASS |
| spack_foss-2022a_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 3.013331882784653e-05 | PASS |
| spack_foss-2022a_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 8.654939110270343e-15 | 8.654939110270343e-15 | 8.654939110270343e-05 | PASS |
| spack_foss-2022a_serial_min | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| spack_foss-2022a_cuda_serial | 5.966166988836511e-15 | 5.966166988836511e-15 | 5.966166988836511e-05 | PASS |
| spack_foss-2023a_mpi | 3.013331882784653e-15 | 3.013331882784653e-15 | 3.013331882784653e-05 | PASS |
| spack_foss-2023a_mpi_min | 3.013331882784653e-15 | 3.013331882784653e-15 | 3.013331882784653e-05 | PASS |
| spack_foss-2023a_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| spack_foss-2023a_serial_min | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| spack_foss-2023a_mpi_opt | 3.013331882784653e-15 | 3.013331882784653e-15 | 3.013331882784653e-05 | PASS |
| spack_foss-2023a_serial_opt | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| spack_foss-2023a_mpi_debug | 3.013331882784653e-15 | 3.013331882784653e-15 | 3.013331882784653e-05 | PASS |
| spack_foss-2023a_serial_debug | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| spack_foss-2023b_serial | 7.659138334358420e-15 | 7.659138334358420e-15 | 7.659138334358420e-05 | PASS |
| spack_foss-2023a_serial_omp | 9.350211227161867e-16 | 9.350211227161867e-16 | 9.350211227161867e-06 | PASS |
| spack_intel-2022a_serial_omp | -1.438494034947979e-14 | -1.438494034947979e-14 | -1.438494034947979e-04 | PASS |
| spack_foss-2023a_mpi_omp | 1.174770128540850e-14 | 1.174770128540850e-14 | 1.174770128540850e-04 | PASS |
| spack_intel-2023a_serial | -3.557323540162215e-15 | -3.557323540162215e-15 | -3.557323540162215e-05 | PASS |
| spack_intel-2023a_impi | -4.539712113817707e-15 | -4.539712113817707e-15 | -4.539712113817706e-05 | PASS |
| spack_intel-2022a_impi_omp | -8.678914010852810e-15 | -8.678914010852810e-15 | -8.678914010852809e-05 | PASS |