Match comparison for Benzene Multipoles [step 20] (match type 23477)
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 |
| -2.094606330454323e-02 | 1.540000000000000e-14 | -2.094606330453608e-02 | 4.733287782034148e-15 | -2.094606330454005e-02 | 1.085069534223493e-14 | 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: -0.020946063304543232, precision: 0.0000000000000154| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023a_serial_min | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2022a_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023a_serial_opt | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023a_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2023b_serial | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2022a_ppc | -2.094606330455091e-02 | -7.674416657721395e-15 | -4.983387440078828e-01 | PASS |
| spack_foss-2022a_mpi_min | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_mpi_min | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_serial_omp | -2.094606330452920e-02 | 1.402697402674846e-14 | 9.108424692693807e-01 | PASS |
| spack_foss-2023a_mpi_opt | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_serial_debug | -2.094606330453752e-02 | 5.707240235963695e-15 | 3.706000153223179e-01 | PASS |
| spack_foss-2022a_mpi | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_mpi | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |
| spack_foss-2023a_mpi_debug | -2.094606330453307e-02 | 1.016201012227214e-14 | 6.598707871605284e-01 | PASS |