Match comparison for Exchange energy (match type 25789)

Commits > Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b > Input 18-TiO2.02-gs_kerker.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.132496871000000e+01 9.870000000000000e-06 -3.132496935296296e+01 2.087259796175959e-08 -3.132496935500000e+01 2.500000029215244e-08 PASS

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Detailed information

Reference: -31.32496871, precision: 0.00000987
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_foss-2023a_serial_min -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_foss-2022a_serial -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_foss-2023a_serial -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_foss-2022a_ppc -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2022a_mpi_min -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2023a_mpi_min -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2023a_serial_omp -3.132496936000000e+01 -6.500000004905360e-07 -6.585612973561661e-02 PASS
spack_foss-2023a_serial_debug -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_foss-2023a_mpi_opt -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2022a_mpi -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
cmake_foss_2022a_full_mpi -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2023a_mpi -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
cmake_foss_2022a_full_serial -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_foss-2023a_mpi_debug -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2022a_cuda_mpi_omp -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2023a_mpi_omp -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
cmake_foss_2022a_min_serial -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
cmake_foss_2022a_min_mpi -3.132496938000000e+01 -6.699999985926297e-07 -6.788247199520057e-02 PASS
spack_foss-2023a_serial_opt -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_foss-2023b_serial -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_intel-2023a_serial -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_intel-2022a_serial_omp -3.132496938000000e+01 -6.699999985926297e-07 -6.788247199520057e-02 PASS
spack_intel-2023a_serial_omp -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_intel-2023a_impi -3.132496937000000e+01 -6.600000013179397e-07 -6.686930104538395e-02 PASS
spack_intel-2022a_impi_omp -3.132496933000000e+01 -6.199999980083248e-07 -6.281661580631458e-02 PASS
spack_foss-2022a_cuda_serial -3.132496938000000e+01 -6.699999985926297e-07 -6.788247199520057e-02 PASS