Match comparison for z (C6) (t=400 au) (match type 26055)
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.035385160000000e+00 | 1.000000000000000e-04 | 1.035393735233169e+00 | 7.434095410441089e-15 | 1.035393735233164e+00 | 1.598721155460225e-14 | PASS |
Checks for this match
- GPU builders have different values. Zen 4 builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 1.03538516, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 1.035393735233180e+00 | 8.575233179985986e-06 | 8.575233179985986e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 1.035393735233180e+00 | 8.575233179985986e-06 | 8.575233179985986e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| intel-serial: [intel2023a-serial] | 1.035393735233171e+00 | 8.575233171326246e-06 | 8.575233171326246e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss-ppc: [foss2022a-serial] | 1.035393735233172e+00 | 8.575233172436469e-06 | 8.575233172436469e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | 1.035393735233148e+00 | 8.575233148011563e-06 | 8.575233148011563e-02 | PASS |