Match comparison for Benzene Energy [step 20] (match type 24558)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744343182885780e+01 | 3.000000000000000e-03 | -3.744343275070403e+01 | 8.405030592298940e-14 | -3.744343275070405e+01 | 1.776356839400250e-13 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -37.4434318288578, precision: 0.003| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.744343275070399e+01 | -9.218461940463385e-07 | -3.072820646821128e-04 | PASS |
| spack_foss-2022a_serial_min | -3.744343275070399e+01 | -9.218461940463385e-07 | -3.072820646821128e-04 | PASS |
| foss-2022a_ppc | -3.744343275070402e+01 | -9.218462224680479e-07 | -3.072820741560160e-04 | PASS |
| spack_foss-2022a_serial_opt | -3.744343275070399e+01 | -9.218461940463385e-07 | -3.072820646821128e-04 | PASS |
| spack_foss-2022a_serial | -3.744343275070399e+01 | -9.218461940463385e-07 | -3.072820646821128e-04 | PASS |
| foss-2022a_opt | -3.744343275070398e+01 | -9.218461869409111e-07 | -3.072820623136370e-04 | PASS |
| intel-2022b | -3.744343275070417e+01 | -9.218463716820224e-07 | -3.072821238940075e-04 | PASS |
| intel-2022a | -3.744343275070417e+01 | -9.218463716820224e-07 | -3.072821238940075e-04 | PASS |
| spack_foss-2022a_serial_omp | -3.744343275070401e+01 | -9.218462082571932e-07 | -3.072820694190644e-04 | PASS |
| cmake_foss_2022a_full_mpi | -3.744343275070400e+01 | -9.218462011517659e-07 | -3.072820670505886e-04 | PASS |
| spack_foss-2022a_serial_debug | -3.744343275070399e+01 | -9.218461940463385e-07 | -3.072820646821128e-04 | PASS |
| foss-2022a_omp | -3.744343275070402e+01 | -9.218462224680479e-07 | -3.072820741560160e-04 | PASS |
| intel-2022a_omp | -3.744343275070418e+01 | -9.218463787874498e-07 | -3.072821262624832e-04 | PASS |
| intel-2022b_impi | -3.744343275070415e+01 | -9.218463503657404e-07 | -3.072821167885801e-04 | PASS |
| intel-2022a_impi | -3.744343275070415e+01 | -9.218463503657404e-07 | -3.072821167885801e-04 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744343275070405e+01 | -9.218462508897574e-07 | -3.072820836299191e-04 | PASS |
| eb_fosscuda-2022a | -3.744343275070387e+01 | -9.218460732540734e-07 | -3.072820244180245e-04 | PASS |
| cmake_foss_2022a_min_serial | -3.744343275070399e+01 | -9.218461940463385e-07 | -3.072820646821128e-04 | PASS |
| foss-2022a_mpi_omp | -3.744343275070405e+01 | -9.218462579951847e-07 | -3.072820859983949e-04 | PASS |
| cmake_foss_2022a_min_mpi | -3.744343275070399e+01 | -9.218461940463385e-07 | -3.072820646821128e-04 | PASS |
| eb_foss-2022a | -3.744343275070398e+01 | -9.218461869409111e-07 | -3.072820623136370e-04 | PASS |
| eb_foss-2022b_libxc6 | -3.744343275070397e+01 | -9.218461727300564e-07 | -3.072820575766855e-04 | PASS |
| eb_foss-2022a_debug | -3.744343275070398e+01 | -9.218461869409111e-07 | -3.072820623136370e-04 | PASS |
| intel-2022a_omp_impi | -3.744343275070423e+01 | -9.218464285254413e-07 | -3.072821428418138e-04 | PASS |
| eb_foss-2022a_mpi | -3.744343275070396e+01 | -9.218461656246291e-07 | -3.072820552082097e-04 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744343275070395e+01 | -9.218461514137744e-07 | -3.072820504712581e-04 | PASS |
| eb_foss-2022a_mpi_debug | -3.744343275070396e+01 | -9.218461656246291e-07 | -3.072820552082097e-04 | PASS |