Match comparison for By (x= 0,y= 0,z=3.02) [step 400] (match type 20981)
Commits >
Commit 9275f20b3bb016ad64b9c976787ebb2f42f235b1 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.963839696133850e-07 | 2.000000000000000e-10 | -2.963506002068361e-07 | 4.116687598998629e-21 | -2.963506002068380e-07 | 7.993873439712459e-21 | PASS |
Checks for this match
- OpenMP builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.00000029638396961338495, precision: 0.0000000002| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
| spack_foss-2023a_serial_min | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
| spack_foss-2022a_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
| spack_foss-2023a_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
| spack_foss-2023b_serial | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
| spack_foss-2022a_ppc | -2.963506002068300e-07 | 3.336940655492956e-11 | 1.668470327746478e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.963506002068460e-07 | 3.336940653894182e-11 | 1.668470326947091e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.963506002068330e-07 | 3.336940655196495e-11 | 1.668470327598247e-01 | PASS |
| spack_foss-2022a_mpi | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
| spack_foss-2023a_mpi | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.963506002068390e-07 | 3.336940654592984e-11 | 1.668470327296492e-01 | PASS |