Match comparison for Exchange energy (match type 23861)

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Input 25-Fe_polarized.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.308255894000000e+01 4.950000000000000e-07 -3.308255899562500e+01 1.710982446001695e-07 -3.308255880500000e+01 5.549999997356281e-07 FAIL

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Detailed information

Reference: -33.08255894, precision: 0.000000495
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.308255891000000e+01 2.999999537678377e-08 6.060605126622984e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.308255918000000e+01 -2.399999985414070e-07 -4.848484819018322e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.308255825000000e+01 6.900000002474371e-07 1.393939394439267e+00 FAIL
foss_cmake: [foss2022a-serial, foss-min] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss-serial-min: [foss2023b-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss-serial-min: [foss2022a-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss-serial-min: [foss2023a-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss-serial-full: [foss2023a-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss-opt-full: [foss2023a-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
intel-serial: [intel2023a-serial] -3.308255903000000e+01 -9.000000034120603e-08 -1.818181825074869e-01 PASS
foss-serial-full: [foss2023b-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.308255936000000e+01 -4.199999992238190e-07 -8.484848469168060e-01 PASS
foss-ppc: [foss2022a-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss-serial-debug: [foss2023a-serial] -3.308255897000000e+01 -3.000000248221113e-08 -6.060606562062854e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
intel-omp: [intel2023a-serial] -3.308255889000000e+01 4.999999703159119e-08 1.010100950133155e-01 PASS
intel-omp: [intel2022a-serial] -3.308255893000000e+01 1.000000082740371e-08 2.020202187354285e-02 PASS
foss-omp-full: [foss2023a-serial] -3.308255893000000e+01 1.000000082740371e-08 2.020202187354285e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
foss-mpi-full: [foss2023a-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -3.308255898000000e+01 -4.000000330961484e-08 -8.080808749417139e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.308255895000000e+01 -1.000000082740371e-08 -2.020202187354285e-02 PASS
foss-mpi-debug: [foss2023a-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
foss-mpi-min: [foss2023a-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
foss-mpi-min: [foss2022a-mpi] -3.308255912000000e+01 -1.800000006824121e-07 -3.636363650149739e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -3.308255888000000e+01 5.999999785899490e-08 1.212121168868584e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.308255894000000e+01 0.000000000000000e+00 0.000000000000000e+00 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -3.308255885000000e+01 9.000000034120603e-08 1.818181825074869e-01 PASS