Match comparison for Hartree energy (match type 23750)

Commits > Commit abc749737cc12a5b79d975879ed425be2e62065f > Input 10-intersite.01-Na2.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.703058300000000e-01 2.350000000000000e-07 4.703058200000000e-01 0.000000000000000e+00 4.703058200000000e-01 0.000000000000000e+00 PASS
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Detailed information

Reference: 0.47030583, precision: 0.000000235
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_serial_opt 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_serial_min 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_serial 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
foss-2022a_opt 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
intel-2022b 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
intel-2022a 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
cmake_foss_2022a_full_mpi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_serial_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_fosscuda-2022a 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
foss-2022a_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
foss-2022a_ppc 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_serial_debug 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
intel-2022a_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
intel-2022b_impi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
intel-2022a_impi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
cmake_foss_2022a_min_serial 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_fosscuda-2022a_mpi_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
foss-2022a_mpi_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
cmake_foss_2022a_min_mpi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_foss-2022a 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_foss-2022b_libxc6 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
intel-2022a_omp_impi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_foss-2022a_mpi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_foss-2022a_debug 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_foss-2022b_libxc6_mpi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_foss-2022a_mpi_debug 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
eb_foss-2022a_valgrind 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS