Match comparison for Benzene Energy [step 20] (match type 24558)
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
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 | -3.744340809476208e+01 | 4.908618161506118e-14 | -3.744340809476212e+01 | 1.065814103640150e-13 | PASS |
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Detailed information
Reference: -37.4434318288578, precision: 0.003| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.744340809476213e+01 | 2.373409567013596e-05 | 7.911365223378652e-03 | PASS |
| spack_foss-2022a_serial_opt | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_serial_min | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_serial | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| foss-2022a_opt | -3.744340809476201e+01 | 2.373409578382280e-05 | 7.911365261274264e-03 | PASS |
| intel-2022b | -3.744340809476208e+01 | 2.373409571987395e-05 | 7.911365239957982e-03 | PASS |
| intel-2022a | -3.744340809476208e+01 | 2.373409571987395e-05 | 7.911365239957982e-03 | PASS |
| spack_foss-2022a_serial_omp | -3.744340809476213e+01 | 2.373409566303053e-05 | 7.911365221010177e-03 | PASS |
| spack_foss-2022a_serial_debug | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| foss-2022a_omp | -3.744340809476215e+01 | 2.373409564881968e-05 | 7.911365216273225e-03 | PASS |
| spack_foss-2022a_mpi | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| intel-2022a_omp | -3.744340809476223e+01 | 2.373409557065997e-05 | 7.911365190219991e-03 | PASS |
| intel-2022a_impi | -3.744340809476211e+01 | 2.373409569145224e-05 | 7.911365230484080e-03 | PASS |
| cmake_foss_2022a_full_mpi | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| spack_foss-2022a_mpi_omp | -3.744340809476210e+01 | 2.373409569855767e-05 | 7.911365232852555e-03 | PASS |
| eb_fosscuda-2022a | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| cmake_foss_2022a_full_serial | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| cmake_foss_2022a_min_serial | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| foss-2022a_mpi_omp | -3.744340809476216e+01 | 2.373409564171425e-05 | 7.911365213904750e-03 | PASS |
| cmake_foss_2022a_min_mpi | -3.744340809476205e+01 | 2.373409574829566e-05 | 7.911365249431887e-03 | PASS |
| eb_foss-2022a | -3.744340809476201e+01 | 2.373409578382280e-05 | 7.911365261274264e-03 | PASS |
| eb_foss-2022b_libxc6 | -3.744340809476207e+01 | 2.373409572697938e-05 | 7.911365242326459e-03 | PASS |
| intel-2022a_omp_impi | -3.744340809476208e+01 | 2.373409571987395e-05 | 7.911365239957982e-03 | PASS |
| eb_foss-2022a_debug | -3.744340809476201e+01 | 2.373409578382280e-05 | 7.911365261274264e-03 | PASS |
| eb_foss-2022a_mpi | -3.744340809476202e+01 | 2.373409577671737e-05 | 7.911365258905789e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744340809476208e+01 | 2.373409571987395e-05 | 7.911365239957982e-03 | PASS |
| eb_foss-2022a_mpi_debug | -3.744340809476202e+01 | 2.373409577671737e-05 | 7.911365258905789e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744340809476203e+01 | 2.373409576250651e-05 | 7.911365254168837e-03 | PASS |
| intel-2022b_impi | -3.744340809476211e+01 | 2.373409569145224e-05 | 7.911365230484080e-03 | PASS |