Match comparison for Exchange energy (match type 23861)

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Input 25-Fe_polarized.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.308255894000000e+01 5.000000000000000e-07 -3.308255896875000e+01 9.382219326530275e-08 -3.308255896500000e+01 1.349999969590954e-07 PASS

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Detailed information

Reference: -33.08255894, precision: 0.0000005
Run Value Difference Relative difference Status
eb_foss-2022a_ppc -3.308255902000000e+01 -7.999999951380232e-08 -1.599999990276046e-01 PASS
cmake_foss_2022a_full_serial -3.308255883000000e+01 1.099999948905861e-07 2.199999897811722e-01 PASS
cmake_foss_2022a_min_serial -3.308255883000000e+01 1.099999948905861e-07 2.199999897811722e-01 PASS
cmake_foss_2022a_full_mpi -3.308255900000000e+01 -6.000000496442226e-08 -1.200000099288445e-01 PASS
eb_fosscuda-2022a -3.308255909000000e+01 -1.499999982002009e-07 -2.999999964004019e-01 PASS
cmake_foss_2022a_min_mpi -3.308255900000000e+01 -6.000000496442226e-08 -1.200000099288445e-01 PASS
eb_foss-2022a_debug -3.308255898000000e+01 -4.000000330961484e-08 -8.000000661922968e-02 PASS
eb_foss-2022b_libxc6 -3.308255903000000e+01 -9.000000034120603e-08 -1.800000006824121e-01 PASS
eb_intel-2022a -3.308255907000000e+01 -1.300000036508209e-07 -2.600000073016417e-01 PASS
eb_foss-2022b_libxc6_mpi -3.308255893000000e+01 1.000000082740371e-08 2.000000165480742e-02 PASS
intel-2022b -3.308255907000000e+01 -1.300000036508209e-07 -2.600000073016417e-01 PASS
eb_intel-2022a_omp -3.308255899000000e+01 -5.000000413701855e-08 -1.000000082740371e-01 PASS
eb_foss-2022a_mpi_debug -3.308255910000000e+01 -1.599999990276046e-07 -3.199999980552093e-01 PASS
eb_intel-2022a_impi -3.308255906000000e+01 -1.200000028234172e-07 -2.400000056468343e-01 PASS
spack_foss-2022a_serial -3.308255883000000e+01 1.099999948905861e-07 2.199999897811722e-01 PASS
spack_foss-2022a_mpi -3.308255900000000e+01 -6.000000496442226e-08 -1.200000099288445e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.308255893000000e+01 1.000000082740371e-08 2.000000165480742e-02 PASS
spack_foss-2022a_serial_min -3.308255883000000e+01 1.099999948905861e-07 2.199999897811722e-01 PASS
intel-2022b_impi -3.308255906000000e+01 -1.200000028234172e-07 -2.400000056468343e-01 PASS
spack_foss-2022a_serial_debug -3.308255883000000e+01 1.099999948905861e-07 2.199999897811722e-01 PASS
spack_foss-2022a_serial_omp -3.308255907000000e+01 -1.300000036508209e-07 -2.600000073016417e-01 PASS
spack_foss-2022a_serial_opt -3.308255883000000e+01 1.099999948905861e-07 2.199999897811722e-01 PASS
spack_foss-2022a_mpi_omp -3.308255896000000e+01 -2.000000165480742e-08 -4.000000330961484e-02 PASS
eb_intel-2022a_omp_impi -3.308255891000000e+01 2.999999537678377e-08 5.999999075356754e-02 PASS