Match comparison for Partial charge 35 (match type 26811)

Commits > Commit cbea69fbf625d621b43d7bf990e8d9b27d6c495d > Input 10-vdw_d3_dna.01-gs_novdw.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.971000000000000e+00 2.990000000000000e-02 5.973000000000002e+00 1.776356839400250e-15 5.973000000000000e+00 0.000000000000000e+00 PASS

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Detailed information

Reference: 5.971, precision: 0.0299
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_serial_min 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2022a_ppc 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2022a_serial 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_serial 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_serial_opt 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023b_serial 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_mpi_min 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2022a_mpi_min 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_serial_omp 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2022a_mpi 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_mpi_opt 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_serial_debug 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_mpi 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_intel_autotools: [intel2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2022a_cuda_mpi_omp 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_mpi_debug 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_min_autotools: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_autotools: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_autotools: [foss2023b-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_autotools: [foss2022a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2023a_mpi_omp 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
cmake_foss_2022a_min_serial 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
cmake_foss_2022a_full_serial 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
cmake_foss_2022a_min_mpi 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_intel-2022a_impi_omp 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
cmake_foss_2022a_full_mpi 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_intel-2023a_serial 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_intel-2022a_serial_omp 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_intel-2023a_impi 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
spack_foss-2022a_cuda_serial 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 5.973000000000000e+00 1.999999999999780e-03 6.688963210701604e-02 PASS