Match comparison for Total energy (match type 28508)

Commits > Commit 0b4356d4fa228266301da10567cd10de2d19abc0 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.471481281000000e+02 1.110000000000000e-05 -2.471481312251852e+02 4.413404976181668e-06 -2.471481310550000e+02 6.935000001817571e-06 PASS

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Detailed information

Reference: -247.1481281, precision: 0.0000111
Run Value Difference Relative difference Status
foss-2022a_ppc -2.471481289100000e+02 -8.099999888599996e-07 -7.297297196936933e-02 PASS
cmake_foss_2022a_full_serial -2.471481342800000e+02 -6.179999985533868e-06 -5.567567554535017e-01 PASS
cmake_foss_2022a_min_serial -2.471481342800000e+02 -6.179999985533868e-06 -5.567567554535017e-01 PASS
cmake_foss_2022a_full_mpi -2.471481344300000e+02 -6.329999990839497e-06 -5.702702694449997e-01 PASS
cmake_foss_2022a_min_mpi -2.471481344300000e+02 -6.329999990839497e-06 -5.702702694449997e-01 PASS
eb_foss-2022a -2.471481379900000e+02 -9.890000001178123e-06 -8.909909910971282e-01 PASS
eb_fosscuda-2022a -2.471481275900000e+02 5.100000066704524e-07 4.594594654688761e-02 PASS
eb_foss-2022a_debug -2.471481379900000e+02 -9.890000001178123e-06 -8.909909910971282e-01 PASS
eb_foss-2022b_libxc6 -2.471481316900000e+02 -3.590000005715410e-06 -3.234234239383252e-01 PASS
eb_foss-2022a_mpi -2.471481301800000e+02 -2.080000001569715e-06 -1.873873875288032e-01 PASS
foss-2022a_opt -2.471481379900000e+02 -9.890000001178123e-06 -8.909909910971282e-01 PASS
foss-2022a_omp -2.471481288700000e+02 -7.699999855503847e-07 -6.936936806760223e-02 PASS
intel-2022a -2.471481251100000e+02 2.990000012914606e-06 2.693693705328474e-01 PASS
intel-2022b -2.471481251100000e+02 2.990000012914606e-06 2.693693705328474e-01 PASS
eb_foss-2022b_libxc6_mpi -2.471481254000000e+02 2.700000010236181e-06 2.432432441654217e-01 PASS
eb_foss-2022a_mpi_debug -2.471481301800000e+02 -2.080000001569715e-06 -1.873873875288032e-01 PASS
eb_fosscuda-2022a_mpi_omp -2.471481285300000e+02 -4.300000000512227e-07 -3.873873874335340e-02 PASS
spack_foss-2022a_serial -2.471481342800000e+02 -6.179999985533868e-06 -5.567567554535017e-01 PASS
intel-2022a_omp -2.471481344800000e+02 -6.380000002081943e-06 -5.747747749623371e-01 PASS
intel-2022a_impi -2.471481257400000e+02 2.359999996315310e-06 2.126126122806585e-01 PASS
spack_foss-2022a_serial_debug -2.471481342800000e+02 -6.179999985533868e-06 -5.567567554535017e-01 PASS
intel-2022b_impi -2.471481257400000e+02 2.359999996315310e-06 2.126126122806585e-01 PASS
spack_foss-2022a_serial_min -2.471481342800000e+02 -6.179999985533868e-06 -5.567567554535017e-01 PASS
foss-2022a_mpi_omp -2.471481265500000e+02 1.550000007455310e-06 1.396396403112892e-01 PASS
spack_foss-2022a_serial_opt -2.471481342800000e+02 -6.179999985533868e-06 -5.567567554535017e-01 PASS
spack_foss-2022a_serial_omp -2.471481241200000e+02 3.980000002457018e-06 3.585585587799116e-01 PASS
intel-2022a_omp_impi -2.471481363700000e+02 -8.269999995036414e-06 -7.450450445978751e-01 PASS