Match comparison for y (H6) (t=400 au) (match type 26061)

Commits > Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.689228270000000e+00 1.000000000000000e-04 -1.689233766770262e+00 4.396214024301158e-14 -1.689233766770308e+00 9.370282327836321e-14 PASS

Checks for this match

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  • Intel® builders have different values.
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Detailed information

Reference: -1.68922827, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss-ppc: [foss2022a-serial] -1.689233766770252e+00 -5.496770251856020e-06 -5.496770251856020e-02 PASS
foss-serial-full: [foss2023a-serial] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss-serial-full: [foss2023b-serial] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
intel_omp_autotools: [intel2022a-serial] -1.689233766770307e+00 -5.496770306923082e-06 -5.496770306923082e-02 PASS
intel_omp_autotools: [intel2023a-serial] -1.689233766770307e+00 -5.496770306923082e-06 -5.496770306923082e-02 PASS
foss-opt-full: [foss2023a-serial] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
intel-serial: [intel2023a-serial] -1.689233766770402e+00 -5.496770401736129e-06 -5.496770401736129e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss-mpi-full: [foss2023a-mpi] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] -1.689233766770214e+00 -5.496770214330482e-06 -5.496770214330482e-02 PASS