Match comparison for Hartree energy (match type 23750)

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > 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
spack_foss-2022a_serial_min 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023a_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
spack_foss-2023a_serial 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
cmake_foss_2022a_full_serial 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_ppc 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023a_mpi_min 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_mpi_min 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-2023a_serial_debug 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023a_mpi_opt 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_mpi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023a_mpi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_cuda_serial 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
spack_foss-2023a_mpi_debug 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023a_mpi_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2022a_cuda_mpi_omp 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
spack_foss-2023a_serial_opt 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023b_serial 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023a_serial_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_intel-2023a_serial 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_intel-2022a_serial_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_intel-2023a_serial_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_intel-2023a_impi 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_intel-2022a_impi_omp 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS
spack_foss-2023a_valgrind 4.703058200000000e-01 -9.999999994736442e-09 -4.255319146696358e-02 PASS