Match comparison for By (x= 0,y= 0,z=3.02) [step 400] (match type 20975)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.958269117779080e-07 | 2.000000000000000e-10 | -2.958268626920782e-07 | 4.777576207401789e-21 | -2.958268626920785e-07 | 6.511565782017434e-21 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.00000029582691177790795, precision: 0.0000000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.958268626920850e-07 | 4.908582293239154e-14 | 2.454291146619577e-04 | PASS |
| spack_foss-2022a_cuda_serial | -2.958268626920840e-07 | 4.908582393824316e-14 | 2.454291196912158e-04 | PASS |
| spack_foss-2022a_serial | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| spack_foss-2022a_mpi | -2.958268626920730e-07 | 4.908583494967148e-14 | 2.454291747483574e-04 | PASS |
| spack_foss-2022a_serial_min | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| spack_foss-2022a_mpi_min | -2.958268626920730e-07 | 4.908583494967148e-14 | 2.454291747483574e-04 | PASS |
| spack_foss-2022a_mpi_opt | -2.958268626920730e-07 | 4.908583494967148e-14 | 2.454291747483574e-04 | PASS |
| spack_foss-2022a_serial_opt | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| spack_foss-2022a_serial_debug | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| spack_foss-2023a_serial | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.958268626920760e-07 | 4.908583193211660e-14 | 2.454291596605830e-04 | PASS |
| spack_foss-2023a_serial_omp | -2.958268626920800e-07 | 4.908582796164966e-14 | 2.454291398082483e-04 | PASS |
| spack_foss-2022a_mpi_debug | -2.958268626920730e-07 | 4.908583494967148e-14 | 2.454291747483574e-04 | PASS |
| spack_foss-2023a_serial_min | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| spack_intel-2022a_serial_omp | -2.958268626920750e-07 | 4.908583293796823e-14 | 2.454291646898411e-04 | PASS |
| spack_intel-2023a_serial | -2.958268626920770e-07 | 4.908583092626498e-14 | 2.454291546313249e-04 | PASS |
| spack_intel-2023a_serial_omp | -2.958268626920750e-07 | 4.908583293796823e-14 | 2.454291646898411e-04 | PASS |
| spack_intel-2023a_impi | -2.958268626920720e-07 | 4.908583595552310e-14 | 2.454291797776155e-04 | PASS |
| spack_intel-2022a_impi_omp | -2.958268626920720e-07 | 4.908583595552310e-14 | 2.454291797776155e-04 | PASS |