Match comparison for H2-4 Electrons (match type 15370)

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Input 30-local_multipoles.03-multipoles_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.309982087168730e+00 2.650000000000000e-13 5.309982087168731e+00 4.718411572719232e-15 5.309982087168729e+00 6.661338147750939e-15 PASS
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Detailed information

Reference: 5.30998208716873, precision: 0.000000000000265
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 5.309982087168734e+00 4.440892098500626e-15 1.675808339056840e-02 PASS
spack_foss-2023a_serial_min 5.309982087168734e+00 4.440892098500626e-15 1.675808339056840e-02 PASS
spack_foss-2023a_serial_opt 5.309982087168723e+00 -7.105427357601002e-15 -2.681293342490944e-02 PASS
spack_foss-2022a_serial 5.309982087168734e+00 4.440892098500626e-15 1.675808339056840e-02 PASS
spack_foss-2023a_serial 5.309982087168734e+00 4.440892098500626e-15 1.675808339056840e-02 PASS
spack_foss-2023b_serial 5.309982087168734e+00 4.440892098500626e-15 1.675808339056840e-02 PASS
spack_foss-2022a_ppc 5.309982087168729e+00 -8.881784197001252e-16 -3.351616678113680e-03 PASS
spack_foss-2022a_cuda_serial 5.309982087168724e+00 -5.329070518200751e-15 -2.010970006868208e-02 PASS
spack_foss-2022a_mpi_min 5.309982087168728e+00 -1.776356839400250e-15 -6.703233356227360e-03 PASS
spack_foss-2023a_mpi_min 5.309982087168728e+00 -1.776356839400250e-15 -6.703233356227360e-03 PASS
spack_foss-2023a_serial_omp 5.309982087168724e+00 -5.329070518200751e-15 -2.010970006868208e-02 PASS
spack_foss-2023a_mpi_opt 5.309982087168736e+00 6.217248937900877e-15 2.346131674679576e-02 PASS
spack_foss-2023a_serial_debug 5.309982087168734e+00 4.440892098500626e-15 1.675808339056840e-02 PASS
spack_foss-2022a_mpi 5.309982087168728e+00 -1.776356839400250e-15 -6.703233356227360e-03 PASS
spack_foss-2023a_mpi 5.309982087168728e+00 -1.776356839400250e-15 -6.703233356227360e-03 PASS
spack_foss-2023a_mpi_debug 5.309982087168728e+00 -1.776356839400250e-15 -6.703233356227360e-03 PASS
spack_foss-2022a_cuda_mpi_omp 5.309982087168730e+00 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp 5.309982087168728e+00 -1.776356839400250e-15 -6.703233356227360e-03 PASS
cmake_foss_2022a_min_serial 5.309982087168723e+00 -7.105427357601002e-15 -2.681293342490944e-02 PASS
cmake_foss_2022a_full_serial 5.309982087168723e+00 -7.105427357601002e-15 -2.681293342490944e-02 PASS
cmake_foss_2022a_min_mpi 5.309982087168734e+00 4.440892098500626e-15 1.675808339056840e-02 PASS
cmake_foss_2022a_full_mpi 5.309982087168736e+00 6.217248937900877e-15 2.346131674679576e-02 PASS
spack_intel-2023a_serial 5.309982087168724e+00 -5.329070518200751e-15 -2.010970006868208e-02 PASS
spack_intel-2022a_serial_omp 5.309982087168729e+00 -8.881784197001252e-16 -3.351616678113680e-03 PASS
spack_intel-2022a_impi_omp 5.309982087168735e+00 5.329070518200751e-15 2.010970006868208e-02 PASS
spack_intel-2023a_impi 5.309982087168724e+00 -6.217248937900877e-15 -2.346131674679576e-02 PASS
spack_foss-2023a_valgrind 5.309982087168736e+00 6.217248937900877e-15 2.346131674679576e-02 PASS