Match comparison for Exchange energy (match type 30476)

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-9.198639570000000e+01 4.600000000000000e-06 -9.198639585906250e+01 4.605659544912952e-07 -9.198639609000000e+01 6.900000002474371e-07 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -91.9863957, precision: 0.0000046
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -9.198639590000001e+01 -2.000000023372195e-07 -4.347826137765641e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -9.198639590000001e+01 -2.000000023372195e-07 -4.347826137765641e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -9.198639557000000e+01 1.300000036508209e-07 2.826087035887410e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -9.198639550999999e+01 1.900000086152431e-07 4.130434969896590e-02 PASS
foss-serial-min: [foss2023b-serial] -9.198639678000001e+01 -1.080000004094472e-06 -2.347826095857549e-01 PASS
foss-serial-min: [foss2022a-serial] -9.198639678000001e+01 -1.080000004094472e-06 -2.347826095857549e-01 PASS
foss-serial-min: [foss2023a-serial] -9.198639678000001e+01 -1.080000004094472e-06 -2.347826095857549e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -9.198639550999999e+01 1.900000086152431e-07 4.130434969896590e-02 PASS
foss-serial-full: [foss2023a-serial] -9.198639678000001e+01 -1.080000004094472e-06 -2.347826095857549e-01 PASS
foss-opt-full: [foss2023a-serial] -9.198639550999999e+01 1.900000086152431e-07 4.130434969896590e-02 PASS
intel-serial: [intel2023a-serial] -9.198639550999999e+01 1.900000086152431e-07 4.130434969896590e-02 PASS
foss-serial-full: [foss2023b-serial] -9.198639678000001e+01 -1.080000004094472e-06 -2.347826095857549e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -9.198639568999999e+01 1.000000793283107e-08 2.173914768006754e-03 PASS
foss-ppc: [foss2022a-serial] -9.198639588000000e+01 -1.800000006824121e-07 -3.913043493095914e-02 PASS
foss-serial-debug: [foss2023a-serial] -9.198639678000001e+01 -1.080000004094472e-06 -2.347826095857549e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -9.198639559000000e+01 1.100000019960135e-07 2.391304391217684e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -9.198639558000001e+01 1.199999957179898e-07 2.608695559086735e-02 PASS
intel-omp: [intel2023a-serial] -9.198639558000001e+01 1.199999957179898e-07 2.608695559086735e-02 PASS
intel-omp: [intel2022a-serial] -9.198639553000000e+01 1.700000069604357e-07 3.695652325226863e-02 PASS
foss-omp-full: [foss2023a-serial] -9.198639595000000e+01 -2.499999993688107e-07 -5.434782594974145e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -9.198639555000000e+01 1.500000053056283e-07 3.260869680557137e-02 PASS
foss-mpi-full: [foss2023a-mpi] -9.198639565000001e+01 4.999999703159119e-08 1.086956457208504e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -9.198639570000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -9.198639570000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda-serial: [foss2022a-cuda-mpi] -9.198639540000001e+01 2.999999964004019e-07 6.521739052182650e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -9.198639579000000e+01 -9.000000034120603e-08 -1.956521746547957e-02 PASS
foss-mpi-debug: [foss2023a-mpi] -9.198639557000000e+01 1.300000036508209e-07 2.826087035887410e-02 PASS
foss-mpi-min: [foss2023a-mpi] -9.198639574000001e+01 -4.000000330961484e-08 -8.695652893394530e-03 PASS
foss-mpi-min: [foss2022a-mpi] -9.198639574000001e+01 -4.000000330961484e-08 -8.695652893394530e-03 PASS
foss-mpi-omp-full: [foss2023a-mpi] -9.198639563000000e+01 6.999999868639861e-08 1.521739101878231e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -9.198639550000000e+01 2.000000023372195e-07 4.347826137765641e-02 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -9.198639563000000e+01 6.999999868639861e-08 1.521739101878231e-02 PASS