Match comparison for Benzene Energy [step 20] (match type 20284)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565857691556e+01 | 3.740000000000000e-13 | -3.744565857691550e+01 | 9.382672308943750e-14 | -3.744565857691556e+01 | 2.202682480856311e-13 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -37.445658576915555, precision: 0.000000000000374| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2022a_serial | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2022a_ppc | -3.744565857691560e+01 | -4.263256414560601e-14 | -1.139908132235455e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.744565857691536e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| spack_foss-2022a_mpi | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2023a_mpi | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.744565857691578e+01 | -2.202682480856311e-13 | -5.889525349883183e-01 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.744565857691558e+01 | -2.131628207280301e-14 | -5.699540661177274e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.744565857691558e+01 | -2.131628207280301e-14 | -5.699540661177274e-02 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.744565857691576e+01 | -2.060573933704291e-13 | -5.509555972471365e-01 | PASS |
| spack_foss-2023a_mpi_debug | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.744565857691560e+01 | -4.263256414560601e-14 | -1.139908132235455e-01 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2023a_serial | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |
| spack_foss-2023a_serial_debug | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2023a_serial_min | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.744565857691559e+01 | -3.552713678800501e-14 | -9.499234435295456e-02 | PASS |
| spack_foss-2023b_serial | -3.744565857691548e+01 | 7.815970093361102e-14 | 2.089831575765000e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.744565857691542e+01 | 1.350031197944190e-13 | 3.609709085412273e-01 | PASS |
| spack_intel-2023a_serial | -3.744565857691578e+01 | -2.202682480856311e-13 | -5.889525349883183e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.744565857691558e+01 | -2.131628207280301e-14 | -5.699540661177274e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.744565857691558e+01 | -2.131628207280301e-14 | -5.699540661177274e-02 | PASS |
| spack_intel-2023a_impi | -3.744565857691576e+01 | -2.060573933704291e-13 | -5.509555972471365e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.744565857691559e+01 | -3.552713678800501e-14 | -9.499234435295456e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744565857691533e+01 | 2.202682480856311e-13 | 5.889525349883183e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.744565857691536e+01 | 1.918465386552271e-13 | 5.129586595059547e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.744565857691543e+01 | 1.207922650792170e-13 | 3.229739708000455e-01 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.744565857691547e+01 | 8.526512829121202e-14 | 2.279816264470910e-01 | PASS |