Match comparison for H2 Multipole y (match type 15360)

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 -3.942030529108311e-01 1.464917893273540e-15 -3.942030529108294e-01 3.053113317719180e-15 PASS

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Detailed information

Reference: -0.394203052910827, precision: 0.0000000000000197
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.942030529108324e-01 -5.384581669432009e-15 -2.733290187528938e-01 PASS
spack_foss-2023a_serial_min -3.942030529108324e-01 -5.384581669432009e-15 -2.733290187528938e-01 PASS
spack_foss-2022a_serial_opt -3.942030529108305e-01 -3.497202527569243e-15 -1.775229709426012e-01 PASS
spack_foss-2022a_serial -3.942030529108324e-01 -5.384581669432009e-15 -2.733290187528938e-01 PASS
spack_foss-2022a_ppc -3.942030529108263e-01 7.216449660063518e-16 3.663172416275897e-02 PASS
spack_foss-2022a_mpi_min -3.942030529108312e-01 -4.218847493575595e-15 -2.141546951053601e-01 PASS
spack_foss-2023a_mpi_min -3.942030529108312e-01 -4.218847493575595e-15 -2.141546951053601e-01 PASS
spack_foss-2022a_serial_debug -3.942030529108324e-01 -5.384581669432009e-15 -2.733290187528938e-01 PASS
spack_foss-2022a_mpi_opt -3.942030529108318e-01 -4.773959005888173e-15 -2.423329444613286e-01 PASS
spack_intel-2022a_serial_omp -3.942030529108300e-01 -2.942091015256665e-15 -1.493447215866327e-01 PASS
spack_foss-2022a_mpi -3.942030529108312e-01 -4.218847493575595e-15 -2.141546951053601e-01 PASS
spack_foss-2022a_cuda_serial -3.942030529108304e-01 -3.386180225106727e-15 -1.718873210714075e-01 PASS
spack_intel-2023a_impi -3.942030529108302e-01 -3.164135620181696e-15 -1.606160213290201e-01 PASS
spack_foss-2022a_mpi_debug -3.942030529108312e-01 -4.218847493575595e-15 -2.141546951053601e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.942030529108310e-01 -3.996802888650564e-15 -2.028833953629728e-01 PASS
spack_intel-2022a_impi_omp -3.942030529108323e-01 -5.273559366969494e-15 -2.676933688817002e-01 PASS
spack_foss-2022a_valgrind -3.942030529108324e-01 -5.384581669432009e-15 -2.733290187528938e-01 PASS