Match comparison for Hartree energy (match type 32212)

Commits > Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.828467787000000e+01 4.730000000000000e-07 6.828467749058824e+01 2.023529412005755e-07 6.828467787000000e+01 4.300000000512227e-07 PASS

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Detailed information

Reference: 68.28467787, precision: 0.000000473
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-serial-min: [foss2023a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-serial-min: [foss2022a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-serial-min: [foss2023b-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_autotools: [foss2023a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_autotools: [foss2023b-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_autotools: [foss2022a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-opt-full: [foss2023a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
intel_autotools: [intel2023a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-serial-debug: [foss2023a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
intel_omp_autotools: [intel2022a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
intel_omp_autotools: [intel2023a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-omp-full: [foss2023a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 6.828467830000000e+01 4.300000000512227e-07 9.090909091992024e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-mpi-min: [foss2023a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss-mpi-min: [foss2022a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 6.828467744000000e+01 -4.300000000512227e-07 -9.090909091992024e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 6.828467830000000e+01 4.300000000512227e-07 9.090909091992024e-01 PASS