Match comparison for Exchange energy (match type 28511)

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.775870298000000e+01 1.390000000000000e-06 -2.775870333241379e+01 1.350263107728404e-07 -2.775870332500000e+01 2.349999999040620e-07 PASS

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Detailed information

Reference: -27.75870298, precision: 0.00000139
Run Value Difference Relative difference Status
foss-2022a_ppc -2.775870322000000e+01 -2.400000020941206e-07 -1.726618720101587e-01 PASS
cmake_foss_2022a_full_serial -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
foss-2022a_opt -2.775870345000000e+01 -4.699999998081239e-07 -3.381294962648373e-01 PASS
intel-2022a -2.775870356000000e+01 -5.800000018041374e-07 -4.172661883483003e-01 PASS
cmake_foss_2022a_full_mpi -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
cmake_foss_2022a_min_serial -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
foss-2022a_omp -2.775870322000000e+01 -2.400000020941206e-07 -1.726618720101587e-01 PASS
cmake_foss_2022a_min_mpi -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
eb_fosscuda-2022a -2.775870309000000e+01 -1.100000019960135e-07 -7.913669208346291e-02 PASS
intel-2022a_impi -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
eb_foss-2022a -2.775870345000000e+01 -4.699999998081239e-07 -3.381294962648373e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.775870351000000e+01 -5.300000012198325e-07 -3.812949649063543e-01 PASS
eb_foss-2022a_debug -2.775870345000000e+01 -4.699999998081239e-07 -3.381294962648373e-01 PASS
eb_foss-2022b_libxc6 -2.775870353000000e+01 -5.499999993219262e-07 -3.956834527495872e-01 PASS
eb_foss-2022a_mpi -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
foss-2022a_mpi_omp -2.775870313000000e+01 -1.500000017529146e-07 -1.079136703258378e-01 PASS
eb_foss-2022b_libxc6_mpi -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
intel-2022b -2.775870356000000e+01 -5.800000018041374e-07 -4.172661883483003e-01 PASS
eb_foss-2022a_mpi_debug -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2022a_serial -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
intel-2022a_omp -2.775870333000000e+01 -3.500000005374204e-07 -2.517985615377125e-01 PASS
spack_foss-2022a_mpi -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
spack_foss-2022a_serial_debug -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
spack_foss-2022a_serial_min -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
intel-2022b_impi -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
spack_foss-2022a_serial_omp -2.775870346000000e+01 -4.800000006355276e-07 -3.453237414644084e-01 PASS
spack_foss-2022a_serial_opt -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
spack_foss-2022a_mpi_omp -2.775870332000000e+01 -3.399999997100167e-07 -2.446043163381415e-01 PASS
intel-2022a_omp_impi -2.775870320000000e+01 -2.200000004393132e-07 -1.582733816110167e-01 PASS