Match comparison for Benzene Multipoles [step 0] (match type 23469)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
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 | 4.640127465317406e-15 | 7.276142966380541e-15 | 8.783245792400031e-16 | 1.314699226150280e-14 | PASS |
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Detailed information
Reference: 0.0, precision: 0.0000000000000254| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_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-2022a_serial | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2022a_serial_min | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2022a_ppc | -7.174657253009115e-15 | -7.174657253009115e-15 | -2.824668209846108e-01 | PASS |
| spack_foss-2023a_serial | 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_mpi_min | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-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-2023a_mpi_opt | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-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 |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 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 |
| GCI_intel_autotools: [intel2023a-serial] | -1.226866768226279e-14 | -1.226866768226279e-14 | -4.830184126875116e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -3.209238660645098e-01 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -8.151466198038551e-15 | -8.151466198038551e-15 | -3.209238660645098e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 1.402531684074280e-14 | 1.402531684074280e-14 | 5.521778283757007e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -7.174657253009115e-15 | -7.174657253009115e-15 | -2.824668209846108e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | 6.887881240594797e-15 | 6.887881240594797e-15 | 2.711764267950708e-01 | PASS |
| spack_foss-2023a_mpi_omp | 1.064485585861505e-14 | 1.064485585861505e-14 | 4.190888133313011e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | 1.064485585861505e-14 | 1.064485585861505e-14 | 4.190888133313011e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-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-2022a_impi_omp | -7.911717192213887e-15 | -7.911717192213887e-15 | -3.114849288273184e-01 | PASS |
| spack_intel-2023a_serial | -1.226866768226279e-14 | -1.226866768226279e-14 | -4.830184126875116e-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 |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | 5.978209147554571e-15 | 5.978209147554571e-15 | 2.353625648643532e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.510418736695378e-15 | -1.510418736695378e-15 | -5.946530459430624e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | 1.111003115582031e-14 | 1.111003115582031e-14 | 4.374028014102483e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | 4.385148508495203e-15 | 4.385148508495203e-15 | 1.726436420667403e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | 4.385148508495203e-15 | 4.385148508495203e-15 | 1.726436420667403e-01 | PASS |
| spack_foss-2022a_cuda_serial | 5.978209147554571e-15 | 5.978209147554571e-15 | 2.353625648643532e-01 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | 6.410158547691139e-15 | 6.410158547691139e-15 | 2.523684467594937e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -7.911717192213887e-15 | -7.911717192213887e-15 | -3.114849288273184e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.842122168190644e-15 | -3.842122168190644e-15 | -1.512646522909702e-01 | PASS |