Match comparison for By (x= 0,y= 0,z=3.02) [step 400] (match type 20975)
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
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 | -2.958160421152057e-07 | 3.748357782860017e-11 | -2.957565289423990e-07 | 7.033374969199068e-11 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.00000029582691177790795, precision: 0.0000000002| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -2.958268626920910e-07 | 4.908581695022135e-14 | 2.454290847511067e-04 | PASS |
| cmake_foss_2022a_full_serial | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| cmake_foss_2022a_min_serial | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| cmake_foss_2022a_full_mpi | -2.958268626920730e-07 | 4.908583494967148e-14 | 2.454291747483574e-04 | PASS |
| cmake_foss_2022a_min_mpi | -2.958268626920870e-07 | 4.908582097362785e-14 | 2.454291048681392e-04 | PASS |
| eb_foss-2022a | -2.958268626920860e-07 | 4.908582192653991e-14 | 2.454291096326995e-04 | PASS |
| eb_foss-2022a_debug | -2.958268626920860e-07 | 4.908582192653991e-14 | 2.454291096326995e-04 | PASS |
| eb_fosscuda-2022a | -2.956861951927070e-07 | 1.407165852009316e-10 | 7.035829260046579e-01 | PASS |
| eb_foss-2022a_mpi | -2.958268626920790e-07 | 4.908582896750129e-14 | 2.454291448375064e-04 | PASS |
| eb_foss-2022b_libxc6 | -2.958268626920760e-07 | 4.908583193211660e-14 | 2.454291596605830e-04 | PASS |
| foss-2022a_opt | -2.958268626920860e-07 | 4.908582192653991e-14 | 2.454291096326995e-04 | PASS |
| foss-2022a_omp | -2.958268626920800e-07 | 4.908582796164966e-14 | 2.454291398082483e-04 | PASS |
| intel-2022a | -2.958268626920760e-07 | 4.908583193211660e-14 | 2.454291596605830e-04 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.958268626920770e-07 | 4.908583092626498e-14 | 2.454291546313249e-04 | PASS |
| intel-2022b | -2.958268626920760e-07 | 4.908583193211660e-14 | 2.454291596605830e-04 | PASS |
| eb_foss-2022a_mpi_debug | -2.958268626920790e-07 | 4.908582896750129e-14 | 2.454291448375064e-04 | PASS |
| spack_foss-2022a_serial | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| intel-2022a_omp | -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 |
| eb_fosscuda-2022a_mpi_omp | -2.956861951927100e-07 | 1.407165851979670e-10 | 7.035829259898347e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.958268626920830e-07 | 4.908582494409479e-14 | 2.454291247204739e-04 | PASS |
| intel-2022a_impi | -2.958268626920790e-07 | 4.908582896750129e-14 | 2.454291448375064e-04 | PASS |
| intel-2022b_impi | -2.958268626920790e-07 | 4.908582896750129e-14 | 2.454291448375064e-04 | PASS |
| foss-2022a_mpi_omp | -2.958268626920770e-07 | 4.908583092626498e-14 | 2.454291546313249e-04 | PASS |
| spack_foss-2022a_serial_omp | -2.958268626920850e-07 | 4.908582293239154e-14 | 2.454291146619577e-04 | PASS |
| intel-2022a_omp_impi | -2.958268626920710e-07 | 4.908583696137473e-14 | 2.454291848068736e-04 | PASS |