Match comparison for Exchange energy (match type 28511)

Commits > Commit 7ddcca10159cfd3a5f031627bc95daf6cfe3e221 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.775870298000000e+01 1.390000000000000e-06 -2.775870322173913e+01 1.317656738907130e-07 -2.775870330500000e+01 2.650000006099162e-07 PASS

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Detailed information

Reference: -27.75870298, precision: 0.00000139
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
spack_foss-2023a_serial_min -2.775870304000000e+01 -6.000000141170858e-08 -4.316546864151696e-02 PASS
spack_foss-2023a_serial -2.775870304000000e+01 -6.000000141170858e-08 -4.316546864151696e-02 PASS
spack_foss-2022a_serial -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
spack_foss-2023a_serial_opt -2.775870304000000e+01 -6.000000141170858e-08 -4.316546864151696e-02 PASS
spack_foss-2023b_serial -2.775870304000000e+01 -6.000000141170858e-08 -4.316546864151696e-02 PASS
spack_foss-2022a_ppc -2.775870329000000e+01 -3.100000007805193e-07 -2.230215832953376e-01 PASS
spack_foss-2022a_mpi_min -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
spack_foss-2023a_mpi_min -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2023a_serial_omp -2.775870337000000e+01 -3.900000002943216e-07 -2.805755397800875e-01 PASS
spack_foss-2023a_serial_debug -2.775870304000000e+01 -6.000000141170858e-08 -4.316546864151696e-02 PASS
spack_foss-2023a_mpi_opt -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2022a_mpi -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
spack_foss-2023a_mpi -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2022a_cuda_serial -2.775870328000000e+01 -2.999999999531155e-07 -2.158273380957666e-01 PASS
spack_foss-2023a_mpi_debug -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2023a_mpi_omp -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.775870357000000e+01 -5.900000026315411e-07 -4.244604335478713e-01 PASS
spack_intel-2023a_serial -2.775870332000000e+01 -3.399999997100167e-07 -2.446043163381415e-01 PASS
spack_intel-2022a_serial_omp -2.775870315000000e+01 -1.699999998550084e-07 -1.223021581690708e-01 PASS
spack_intel-2023a_serial_omp -2.775870315000000e+01 -1.699999998550084e-07 -1.223021581690708e-01 PASS
spack_intel-2022a_impi_omp -2.775870328000000e+01 -2.999999999531155e-07 -2.158273380957666e-01 PASS
spack_intel-2023a_impi -2.775870321000000e+01 -2.300000012667169e-07 -1.654676268105877e-01 PASS