Match comparison for H2 Multipole x (match type 15359)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 30-local_multipoles.03-multipoles_restart.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.942030529108270e-01 1.970000000000000e-14 -3.942030529108307e-01 1.565409832995701e-15 -3.942030529108293e-01 3.219646771412954e-15 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.394203052910827, precision: 0.0000000000000197
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.942030529108320e-01 -4.940492459581947e-15 -2.507864192681191e-01 PASS
spack_foss-2023a_serial_min -3.942030529108320e-01 -4.940492459581947e-15 -2.507864192681191e-01 PASS
spack_foss-2022a_serial_opt -3.942030529108299e-01 -2.831068712794149e-15 -1.437090717154390e-01 PASS
spack_foss-2022a_serial -3.942030529108320e-01 -4.940492459581947e-15 -2.507864192681191e-01 PASS
spack_foss-2022a_ppc -3.942030529108261e-01 9.436895709313831e-16 4.790302390514635e-02 PASS
spack_foss-2022a_mpi_min -3.942030529108306e-01 -3.608224830031759e-15 -1.831586208137949e-01 PASS
spack_foss-2023a_mpi_min -3.942030529108306e-01 -3.608224830031759e-15 -1.831586208137949e-01 PASS
spack_foss-2022a_serial_debug -3.942030529108320e-01 -4.940492459581947e-15 -2.507864192681191e-01 PASS
spack_foss-2022a_mpi_opt -3.942030529108316e-01 -4.551914400963142e-15 -2.310616447189412e-01 PASS
spack_intel-2022a_serial_omp -3.942030529108287e-01 -1.720845688168993e-15 -8.735257300350216e-02 PASS
spack_foss-2022a_mpi -3.942030529108306e-01 -3.608224830031759e-15 -1.831586208137949e-01 PASS
spack_foss-2022a_cuda_serial -3.942030529108296e-01 -2.553512956637860e-15 -1.296199470374548e-01 PASS
spack_intel-2023a_impi -3.942030529108299e-01 -2.831068712794149e-15 -1.437090717154390e-01 PASS
spack_foss-2022a_mpi_debug -3.942030529108306e-01 -3.608224830031759e-15 -1.831586208137949e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.942030529108307e-01 -3.719247132494274e-15 -1.887942706849886e-01 PASS
spack_intel-2022a_impi_omp -3.942030529108325e-01 -5.495603971894525e-15 -2.789646686240875e-01 PASS
spack_foss-2022a_valgrind -3.942030529108325e-01 -5.495603971894525e-15 -2.789646686240875e-01 PASS