Match comparison for Benzene Energy [step 0] (match type 20990)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.05-benzene-extsource-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744470e+01 | 1.000000000000000e-04 | -3.744578235744471e+01 | 9.580867581505313e-14 | -3.744578235744478e+01 | 1.776356839400250e-13 | PASS |
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Detailed information
Reference: -37.4457823574447, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| foss-2022a_ppc | -3.744578235744475e+01 | -4.973799150320701e-14 | -4.973799150320701e-10 | PASS |
| spack_foss-2022a_serial_opt | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| spack_foss-2022a_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| foss-2022a_opt | -3.744578235744470e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -3.744578235744461e+01 | 8.526512829121202e-14 | 8.526512829121202e-10 | PASS |
| intel-2022a | -3.744578235744461e+01 | 8.526512829121202e-14 | 8.526512829121202e-10 | PASS |
| spack_foss-2022a_serial_omp | -3.744578235744481e+01 | -1.065814103640150e-13 | -1.065814103640150e-09 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| spack_foss-2022a_serial_debug | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| foss-2022a_omp | -3.744578235744484e+01 | -1.421085471520200e-13 | -1.421085471520200e-09 | PASS |
| intel-2022a_omp | -3.744578235744495e+01 | -2.557953848736361e-13 | -2.557953848736361e-09 | PASS |
| intel-2022b_impi | -3.744578235744461e+01 | 8.526512829121202e-14 | 8.526512829121202e-10 | PASS |
| intel-2022a_impi | -3.744578235744461e+01 | 8.526512829121202e-14 | 8.526512829121202e-10 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744578235744471e+01 | -1.421085471520200e-14 | -1.421085471520200e-10 | PASS |
| eb_fosscuda-2022a | -3.744578235744464e+01 | 5.684341886080801e-14 | 5.684341886080801e-10 | PASS |
| cmake_foss_2022a_min_serial | -3.744578235744460e+01 | 9.947598300641403e-14 | 9.947598300641403e-10 | PASS |
| foss-2022a_mpi_omp | -3.744578235744477e+01 | -7.105427357601002e-14 | -7.105427357601002e-10 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -4.973799150320701e-14 | -4.973799150320701e-10 | PASS |
| eb_foss-2022a | -3.744578235744470e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -3.744578235744471e+01 | -7.105427357601002e-15 | -7.105427357601002e-11 | PASS |
| eb_foss-2022a_debug | -3.744578235744470e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -3.744578235744472e+01 | -2.131628207280301e-14 | -2.131628207280301e-10 | PASS |
| eb_foss-2022a_mpi | -3.744578235744478e+01 | -8.526512829121202e-14 | -8.526512829121202e-10 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744578235744482e+01 | -1.207922650792170e-13 | -1.207922650792170e-09 | PASS |
| eb_foss-2022a_mpi_debug | -3.744578235744478e+01 | -8.526512829121202e-14 | -8.526512829121202e-10 | PASS |