Match comparison for z (C6) (t=400 au) (match type 26055)

Commits > Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.035385160000000e+00 1.000000000000000e-04 1.035393735233165e+00 1.129273833796982e-14 1.035393735233161e+00 1.887379141862766e-14 PASS

Checks for this match

  • OpenMP 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: [foss2023a-serial] 1.035393735233167e+00 8.575233167329444e-06 8.575233167329444e-02 PASS
foss-serial-full: [foss2023b-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-opt-full: [foss2023a-serial] 1.035393735233167e+00 8.575233167329444e-06 8.575233167329444e-02 PASS
intel_omp_autotools: [intel2022a-serial] 1.035393735233142e+00 8.575233142238403e-06 8.575233142238403e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] 1.035393735233167e+00 8.575233167329444e-06 8.575233167329444e-02 PASS
intel_omp_autotools: [intel2023a-serial] 1.035393735233142e+00 8.575233142238403e-06 8.575233142238403e-02 PASS
intel-serial: [intel2023a-serial] 1.035393735233171e+00 8.575233171326246e-06 8.575233171326246e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] 1.035393735233167e+00 8.575233167329444e-06 8.575233167329444e-02 PASS
foss_cmake: [foss2022a-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_cmake: [foss2023a-mpi, foss-full-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