Match comparison for Exchange energy (match type 28511)

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Input 01-nio.01-U5-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.775870298000000e+01 1.390000000000000e-06 -2.775870321074074e+01 1.111197525822512e-07 -2.775870321000000e+01 1.699999998550084e-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: -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-2023a_mpi_min -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2022a_mpi_min -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
spack_foss-2023a_serial_debug -2.775870304000000e+01 -6.000000141170858e-08 -4.316546864151696e-02 PASS
spack_foss-2023a_serial_omp -2.775870337000000e+01 -3.900000002943216e-07 -2.805755397800875e-01 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
cmake_foss_2022a_full_mpi -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
spack_foss-2022a_cuda_serial -2.775870320000000e+01 -2.200000004393132e-07 -1.582733816110167e-01 PASS
spack_foss-2023a_mpi_debug -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-01 PASS
spack_foss-2023a_mpi_omp -2.775870324000000e+01 -2.600000001962144e-07 -1.870503598533916e-01 PASS
cmake_foss_2022a_min_serial -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
cmake_foss_2022a_full_serial -2.775870338000000e+01 -4.000000011217253e-07 -2.877697849796585e-01 PASS
cmake_foss_2022a_min_mpi -2.775870316000000e+01 -1.800000006824121e-07 -1.294964033686418e-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-2023a_impi -2.775870321000000e+01 -2.300000012667169e-07 -1.654676268105877e-01 PASS
spack_intel-2022a_impi_omp -2.775870328000000e+01 -2.999999999531155e-07 -2.158273380957666e-01 PASS