Match comparison for Exchange energy (match type 23861)

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Input 25-Fe_polarized.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.308255894000000e+01 4.000000000000000e-07 -3.308255893800001e+01 7.477967677835100e-08 -3.308255894000000e+01 1.400000009255109e-07 PASS
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Detailed information

Reference: -33.08255894, precision: 0.0000004
Run Value Difference Relative difference Status
foss-2022a_ppc -3.308255908000000e+01 -1.400000044782246e-07 -3.500000111955615e-01 PASS
eb_fosscuda-2022a -3.308255905000000e+01 -1.100000019960135e-07 -2.750000049900336e-01 PASS
cmake_foss_2022a_full_serial -3.308255884000000e+01 1.000000011686097e-07 2.500000029215244e-01 PASS
cmake_foss_2022a_full_mpi -3.308255896000000e+01 -2.000000165480742e-08 -5.000000413701855e-02 PASS
cmake_foss_2022a_min_serial -3.308255884000000e+01 1.000000011686097e-07 2.500000029215244e-01 PASS
cmake_foss_2022a_min_mpi -3.308255896000000e+01 -2.000000165480742e-08 -5.000000413701855e-02 PASS
eb_foss-2022a -3.308255893000000e+01 1.000000082740371e-08 2.500000206850927e-02 PASS
eb_foss-2022a_debug -3.308255893000000e+01 1.000000082740371e-08 2.500000206850927e-02 PASS
eb_foss-2022b_libxc6 -3.308255896000000e+01 -2.000000165480742e-08 -5.000000413701855e-02 PASS
foss-2022a_opt -3.308255893000000e+01 1.000000082740371e-08 2.500000206850927e-02 PASS
eb_foss-2022a_mpi -3.308255902000000e+01 -7.999999951380232e-08 -1.999999987845058e-01 PASS
foss-2022a_omp -3.308255890000000e+01 3.999999620418748e-08 9.999999051046871e-02 PASS
eb_foss-2022b_libxc6_mpi -3.308255904000000e+01 -1.000000011686097e-07 -2.500000029215244e-01 PASS
intel-2022a -3.308255901000000e+01 -6.999999868639861e-08 -1.749999967159965e-01 PASS
foss-2022a_mpi_omp -3.308255893000000e+01 1.000000082740371e-08 2.500000206850927e-02 PASS
eb_foss-2022a_mpi_debug -3.308255902000000e+01 -7.999999951380232e-08 -1.999999987845058e-01 PASS
intel-2022b -3.308255901000000e+01 -6.999999868639861e-08 -1.749999967159965e-01 PASS
intel-2022a_omp -3.308255891000000e+01 2.999999537678377e-08 7.499998844195943e-02 PASS
eb_fosscuda-2022a_mpi_omp -3.308255893000000e+01 1.000000082740371e-08 2.500000206850927e-02 PASS
spack_foss-2022a_serial -3.308255884000000e+01 1.000000011686097e-07 2.500000029215244e-01 PASS
intel-2022a_impi -3.308255891000000e+01 2.999999537678377e-08 7.499998844195943e-02 PASS
spack_foss-2022a_serial_min -3.308255884000000e+01 1.000000011686097e-07 2.500000029215244e-01 PASS
spack_foss-2022a_serial_omp -3.308255897000000e+01 -3.000000248221113e-08 -7.500000620552782e-02 PASS
spack_foss-2022a_serial_debug -3.308255884000000e+01 1.000000011686097e-07 2.500000029215244e-01 PASS
intel-2022a_omp_impi -3.308255880000000e+01 1.399999973727972e-07 3.499999934319931e-01 PASS